smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc(F)c(Cl)n1)[C@@H]2CC ZINC001164697847 719821426 /nfs/dbraw/zinc/82/14/26/719821426.db2.gz BFNMRMTTYNPQNV-QAPCUYQASA-N 0 0 401.860 4.345 20 30 HIEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795540 721505077 /nfs/dbraw/zinc/50/50/77/721505077.db2.gz LAOITLWDXCKERZ-IFXJQAMLSA-N 0 0 404.848 4.232 20 30 HIEDRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)CC2=O)s1 ZINC001164963493 722043578 /nfs/dbraw/zinc/04/35/78/722043578.db2.gz RCVYBIRFHNOORC-GOSISDBHSA-N 0 0 422.888 4.155 20 30 HIEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN([C@@H](F)c4ccnc(Cl)c4)C3)C2)c1 ZINC001165005046 722258786 /nfs/dbraw/zinc/25/87/86/722258786.db2.gz UEUATKXQEGMMPM-YADHBBJMSA-N 0 0 414.912 4.194 20 30 HIEDRN C=CCOC[C@@H](NC(=O)c1cc(C)ccc1Sc1ccc(Cl)cc1)C(=O)OC ZINC000435940270 861204949 /nfs/dbraw/zinc/20/49/49/861204949.db2.gz XBFPWROBPVRDNB-GOSISDBHSA-N 0 0 419.930 4.274 20 30 HIEDRN C[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000435999378 861286191 /nfs/dbraw/zinc/28/61/91/861286191.db2.gz IWBDQYYVCAQUMU-GFCCVEGCSA-N 0 0 411.918 4.387 20 30 HIEDRN CN(C(=O)CSc1ccccc1C(=O)Nc1cc(C#N)ccn1)C1CCCCC1 ZINC000436009576 861301182 /nfs/dbraw/zinc/30/11/82/861301182.db2.gz XJMFHZYVKIUKFB-UHFFFAOYSA-N 0 0 408.527 4.089 20 30 HIEDRN COc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000436017992 861310636 /nfs/dbraw/zinc/31/06/36/861310636.db2.gz BAXLNOYNKLWOSY-HXUWFJFHSA-N 0 0 417.421 4.177 20 30 HIEDRN C=CCn1c(SCC(=O)N2CC(C)=C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000436022735 861316039 /nfs/dbraw/zinc/31/60/39/861316039.db2.gz MTHDUQXPIJYMDM-CQSZACIVSA-N 0 0 402.951 4.301 20 30 HIEDRN CC[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 ZINC000436048749 861337931 /nfs/dbraw/zinc/33/79/31/861337931.db2.gz KNQHJXDTQVUFJQ-MELADBBJSA-N 0 0 403.573 4.156 20 30 HIEDRN CN(C(=O)Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1)c1ccccc1 ZINC000436061393 861345077 /nfs/dbraw/zinc/34/50/77/861345077.db2.gz BLYOWGGHBRWYRP-UHFFFAOYSA-N 0 0 409.489 4.434 20 30 HIEDRN CC[C@H](C#N)Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000436064672 861346537 /nfs/dbraw/zinc/34/65/37/861346537.db2.gz ZYLKNSJYEGKRPK-OAHLLOKOSA-N 0 0 400.305 4.486 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000436127191 861415586 /nfs/dbraw/zinc/41/55/86/861415586.db2.gz PKGUTKLTXYEZCS-UHFFFAOYSA-N 0 0 411.820 4.435 20 30 HIEDRN Cc1cc(NC(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)nn1CCC#N ZINC000436154314 861453325 /nfs/dbraw/zinc/45/33/25/861453325.db2.gz ZGOMHOVAXJFSEU-UHFFFAOYSA-N 0 0 404.257 4.628 20 30 HIEDRN COC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000436159622 861459886 /nfs/dbraw/zinc/45/98/86/861459886.db2.gz WIDXAZHEIKHCDO-LJQANCHMSA-N 0 0 410.474 4.254 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000436169676 861469869 /nfs/dbraw/zinc/46/98/69/861469869.db2.gz IAXQGKRYWXLASP-ZWKOTPCHSA-N 0 0 419.428 4.038 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000436173641 861476478 /nfs/dbraw/zinc/47/64/78/861476478.db2.gz SSPWABNIQBIYAE-YJBOKZPZSA-N 0 0 412.408 4.305 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(F)(F)F)c1 ZINC000436179863 861480925 /nfs/dbraw/zinc/48/09/25/861480925.db2.gz AVJPKOHKCYUDNA-WMZOPIPTSA-N 0 0 419.428 4.038 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1S[C@@H](Cc1ccccc1F)C(C)=O ZINC000436188488 861488681 /nfs/dbraw/zinc/48/86/81/861488681.db2.gz UQDDOEWFSYXEOG-FQEVSTJZSA-N 0 0 411.502 4.475 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)Nc1cc(NC(=O)c2cc(C#N)oc2C)c(F)cc1F ZINC000436189981 861490073 /nfs/dbraw/zinc/49/00/73/861490073.db2.gz VIYSEMRDRYZXSH-UHFFFAOYSA-N 0 0 410.336 4.016 20 30 HIEDRN C=CCNC(=O)COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000003482979 845026192 /nfs/dbraw/zinc/02/61/92/845026192.db2.gz ZIQOHSOTKCHQLI-UHFFFAOYSA-N 0 0 424.280 4.040 20 30 HIEDRN C[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000003493461 845028617 /nfs/dbraw/zinc/02/86/17/845028617.db2.gz QUJBALSGASOJLP-SFHVURJKSA-N 0 0 420.490 4.151 20 30 HIEDRN C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000003493463 845028890 /nfs/dbraw/zinc/02/88/90/845028890.db2.gz QUJBALSGASOJLP-GOSISDBHSA-N 0 0 420.490 4.151 20 30 HIEDRN N#CCCN(C(=O)CSc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000003558705 845039964 /nfs/dbraw/zinc/03/99/64/845039964.db2.gz LZSOVAKBBMRSKN-UHFFFAOYSA-N 0 0 411.508 4.106 20 30 HIEDRN C=CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(Cl)cc1 ZINC000003604164 845043509 /nfs/dbraw/zinc/04/35/09/845043509.db2.gz YMUNBGAOXHVARX-UHFFFAOYSA-N 0 0 404.948 4.255 20 30 HIEDRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C#N)cc1OC ZINC000004494027 845059425 /nfs/dbraw/zinc/05/94/25/845059425.db2.gz GNUMIVSMXYVTJI-UHFFFAOYSA-N 0 0 408.376 4.392 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H](CCC)c2ccccc2)nnc1-c1ccncc1 ZINC000005144072 845084888 /nfs/dbraw/zinc/08/48/88/845084888.db2.gz YCBGSTOSPZPPNJ-IBGZPJMESA-N 0 0 407.543 4.276 20 30 HIEDRN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1C ZINC000005209893 845090349 /nfs/dbraw/zinc/09/03/49/845090349.db2.gz LEFODKYWCRUFSN-QGZVFWFLSA-N 0 0 405.527 4.218 20 30 HIEDRN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccccc1C#N ZINC000005333257 845104466 /nfs/dbraw/zinc/10/44/66/845104466.db2.gz MRUBGSFDSAUPSR-CYBMUJFWSA-N 0 0 407.474 4.410 20 30 HIEDRN C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000005429423 845111304 /nfs/dbraw/zinc/11/13/04/845111304.db2.gz PJHLNYZTTJDYFQ-JXMROGBWSA-N 0 0 415.873 4.417 20 30 HIEDRN C=CCOc1ccc(C=CC(=O)OCC(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000005429291 845111552 /nfs/dbraw/zinc/11/15/52/845111552.db2.gz GNNALUCBRZQZHE-ZRDIBKRKSA-N 0 0 405.450 4.489 20 30 HIEDRN CCCOc1c(Cl)cc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1OCC ZINC000005536723 845122565 /nfs/dbraw/zinc/12/25/65/845122565.db2.gz NNPKWQFGROZYDU-UHFFFAOYSA-N 0 0 422.909 4.027 20 30 HIEDRN Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005856530 845146816 /nfs/dbraw/zinc/14/68/16/845146816.db2.gz VQLRHKCBEJPTOC-UHFFFAOYSA-N 0 0 411.556 4.444 20 30 HIEDRN C[C@H]1CCc2c(sc3nc(SCCCC#N)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000005878242 845148695 /nfs/dbraw/zinc/14/86/95/845148695.db2.gz YZCWCJCUCHYTIQ-UONOGXRCSA-N 0 0 403.573 4.158 20 30 HIEDRN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1-c1ccccc1 ZINC000005883654 845148893 /nfs/dbraw/zinc/14/88/93/845148893.db2.gz SKCMRZHRGYQGKQ-KSFYIVLOSA-N 0 0 423.542 4.371 20 30 HIEDRN CCOc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)NCCC#N)cc1 ZINC000005969787 845154414 /nfs/dbraw/zinc/15/44/14/845154414.db2.gz ZUPCWYJRGBECOK-UHFFFAOYSA-N 0 0 406.511 4.060 20 30 HIEDRN CCOC(=O)Cc1csc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1 ZINC000005971738 845155375 /nfs/dbraw/zinc/15/53/75/845155375.db2.gz QWBLNTVSQUDCAB-UHFFFAOYSA-N 0 0 413.524 4.092 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccc(F)cc1 ZINC000006096669 845169854 /nfs/dbraw/zinc/16/98/54/845169854.db2.gz ATYFMQDPORKBNZ-CQSZACIVSA-N 0 0 407.474 4.261 20 30 HIEDRN C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2sc3c(c2c1=O)CCC3 ZINC000006111628 845173832 /nfs/dbraw/zinc/17/38/32/845173832.db2.gz WYVGMDCFXAFXGF-AWEZNQCLSA-N 0 0 417.600 4.016 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nc2sc(C)c(C)c2c1=O ZINC000006111408 845174150 /nfs/dbraw/zinc/17/41/50/845174150.db2.gz XPULIKWCZIQLEG-OAHLLOKOSA-N 0 0 419.616 4.438 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(OC)cc1 ZINC000006148083 845178015 /nfs/dbraw/zinc/17/80/15/845178015.db2.gz NIFDYYXRHCEYJC-UHFFFAOYSA-N 0 0 416.453 4.149 20 30 HIEDRN N#CCCn1cc(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c2ccccc21 ZINC000006361833 845193792 /nfs/dbraw/zinc/19/37/92/845193792.db2.gz LHTWYUYAVFPKSH-UHFFFAOYSA-N 0 0 402.237 4.296 20 30 HIEDRN C=CCn1c(SCc2nnc(C)o2)nc2scc(-c3cccs3)c2c1=O ZINC000006397502 845197395 /nfs/dbraw/zinc/19/73/95/845197395.db2.gz GVPZGSSJIWWCDE-UHFFFAOYSA-N 0 0 402.526 4.356 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006448486 845200528 /nfs/dbraw/zinc/20/05/28/845200528.db2.gz QJZZQRNNMFNJNS-AOMKIAJQSA-N 0 0 418.424 4.388 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000006448267 845200762 /nfs/dbraw/zinc/20/07/62/845200762.db2.gz WQOZMKKWWUFJAL-QGZVFWFLSA-N 0 0 400.434 4.174 20 30 HIEDRN C=CCNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000006513779 845205328 /nfs/dbraw/zinc/20/53/28/845205328.db2.gz SMMFQNBNCAEOMI-JQIJEIRASA-N 0 0 402.450 4.164 20 30 HIEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000006531364 845206139 /nfs/dbraw/zinc/20/61/39/845206139.db2.gz QQZBPDMFNODJLP-IVZQSRNASA-N 0 0 412.559 4.047 20 30 HIEDRN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1 ZINC000006610544 845214281 /nfs/dbraw/zinc/21/42/81/845214281.db2.gz YDZZFHKUQQBYNS-UHFFFAOYSA-N 0 0 406.916 4.473 20 30 HIEDRN C=CCn1c(SCc2cc(=O)oc3cc(CC)ccc23)nnc1-c1ccncc1 ZINC000006907721 845222961 /nfs/dbraw/zinc/22/29/61/845222961.db2.gz SAIWQZMPXKSTOW-UHFFFAOYSA-N 0 0 404.495 4.487 20 30 HIEDRN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)COc1ccccc1C#N ZINC000006991546 845231610 /nfs/dbraw/zinc/23/16/10/845231610.db2.gz MWHCPGSIFQQWPH-UHFFFAOYSA-N 0 0 413.426 4.211 20 30 HIEDRN CCCCn1c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)n2c2ccccc2c1=O ZINC000007047494 845241196 /nfs/dbraw/zinc/24/11/96/845241196.db2.gz JTCVYUZZKPGWGQ-SFHVURJKSA-N 0 0 417.538 4.380 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccoc1C ZINC000007172212 845270236 /nfs/dbraw/zinc/27/02/36/845270236.db2.gz QVAMQMAWZPNWKT-GFCCVEGCSA-N 0 0 404.442 4.430 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)NCCC)nc2scc(-c3cccs3)c2c1=O ZINC000007175327 845271325 /nfs/dbraw/zinc/27/13/25/845271325.db2.gz OVWPEXBQYIXRGZ-LBPRGKRZSA-N 0 0 419.597 4.379 20 30 HIEDRN C=CCn1c(SC[C@@H](O)CO[C@H]2CCCc3ccccc32)nnc1-c1ccncc1 ZINC000007198954 845280050 /nfs/dbraw/zinc/28/00/50/845280050.db2.gz BNLLVGKPKYJIRV-FPOVZHCZSA-N 0 0 422.554 4.073 20 30 HIEDRN Cc1ccc(-n2c(S[C@H](C)C(=O)N(C)CCC#N)nnc2-c2ccccc2)cc1 ZINC000007206712 845284925 /nfs/dbraw/zinc/28/49/25/845284925.db2.gz KMQCCYIVYYYUPY-QGZVFWFLSA-N 0 0 405.527 4.095 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)NCc2ccccc2Cl)nc2ccccc2c1=O ZINC000007225698 845288293 /nfs/dbraw/zinc/28/82/93/845288293.db2.gz ZQNNOSASVKUKHA-AWEZNQCLSA-N 0 0 413.930 4.033 20 30 HIEDRN C#CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000007229293 845289256 /nfs/dbraw/zinc/28/92/56/845289256.db2.gz CBJXOPUVXUVZMB-UHFFFAOYSA-N 0 0 404.539 4.073 20 30 HIEDRN CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000007310564 845308194 /nfs/dbraw/zinc/30/81/94/845308194.db2.gz CNWSBJRTTCPLLJ-UHFFFAOYSA-N 0 0 419.481 4.154 20 30 HIEDRN CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC ZINC000007333714 845312669 /nfs/dbraw/zinc/31/26/69/845312669.db2.gz HYVSDRCHSIITMH-GQCTYLIASA-N 0 0 401.846 4.364 20 30 HIEDRN CCOc1cc(Br)c(CC(=O)OCc2ccc(C#N)cc2)cc1OCC ZINC000007440287 845333795 /nfs/dbraw/zinc/33/37/95/845333795.db2.gz KLEVHXITYJZCRX-UHFFFAOYSA-N 0 0 418.287 4.404 20 30 HIEDRN Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)s1 ZINC000007520296 845352459 /nfs/dbraw/zinc/35/24/59/845352459.db2.gz ISPPSEOJVUDRSG-UHFFFAOYSA-N 0 0 411.870 4.439 20 30 HIEDRN CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(Cl)c1OC ZINC000007587041 845367955 /nfs/dbraw/zinc/36/79/55/845367955.db2.gz RGDRGGCZJZSZHO-RUDMXATFSA-N 0 0 401.890 4.480 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OC(=O)COc1cc(C)cc(C)c1 ZINC000007595829 845369020 /nfs/dbraw/zinc/36/90/20/845369020.db2.gz IIJUQNQBXPFQBL-UHFFFAOYSA-N 0 0 404.260 4.321 20 30 HIEDRN CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccncc1 ZINC000007634687 845379493 /nfs/dbraw/zinc/37/94/93/845379493.db2.gz OQCWRZWKUKJSLO-GFCCVEGCSA-N 0 0 412.906 4.004 20 30 HIEDRN Cc1noc(C)c1COc1cccc(C(=O)NCCSCc2ccccc2C#N)c1 ZINC000007649084 845383066 /nfs/dbraw/zinc/38/30/66/845383066.db2.gz NJRHQFFYTXETEQ-UHFFFAOYSA-N 0 0 421.522 4.405 20 30 HIEDRN 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HIEDRN C=CCn1c(Cc2ccccc2)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000032788939 848075542 /nfs/dbraw/zinc/07/55/42/848075542.db2.gz FDIMLEOERSWMSZ-UHFFFAOYSA-N 0 0 424.482 4.122 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000032833453 848080946 /nfs/dbraw/zinc/08/09/46/848080946.db2.gz YWSXEIHYPYOUQO-UHFFFAOYSA-N 0 0 407.517 4.478 20 30 HIEDRN Cc1ccc(-c2nc(C)c(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)s2)o1 ZINC000032833289 848080975 /nfs/dbraw/zinc/08/09/75/848080975.db2.gz KIAVDDSIPLEDED-UHFFFAOYSA-N 0 0 420.538 4.240 20 30 HIEDRN Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)n1 ZINC000032847754 848082255 /nfs/dbraw/zinc/08/22/55/848082255.db2.gz WZGITGINXLSOSS-KRWDZBQOSA-N 0 0 406.467 4.226 20 30 HIEDRN C=CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nnc1-c1ccc(Cl)cc1 ZINC000032857135 848083950 /nfs/dbraw/zinc/08/39/50/848083950.db2.gz KBTOEOFVCNQIAO-UHFFFAOYSA-N 0 0 423.929 4.393 20 30 HIEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1ccc(F)cc1)CCCC2 ZINC000033143631 848113412 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HIEDRN C=CCn1c(SCc2noc(-c3ccccc3O)n2)nnc1-c1ccc(F)cc1 ZINC000436705326 861897450 /nfs/dbraw/zinc/89/74/50/861897450.db2.gz MPKPBRUTLXRRIT-UHFFFAOYSA-N 0 0 409.446 4.318 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)NC(C)(C)C)C(C)C)nnc1-c1ccccc1OC ZINC000043276180 848403411 /nfs/dbraw/zinc/40/34/11/848403411.db2.gz KIKGUCQTBFBVJK-QGZVFWFLSA-N 0 0 402.564 4.171 20 30 HIEDRN CCc1cccc(CC)c1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000043339824 848411491 /nfs/dbraw/zinc/41/14/91/848411491.db2.gz PHJIGZANWKPMGQ-UHFFFAOYSA-N 0 0 416.529 4.205 20 30 HIEDRN Cc1ccc(Cl)cc1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000043356901 848414048 /nfs/dbraw/zinc/41/40/48/848414048.db2.gz GJAWKEPOJISHIS-UHFFFAOYSA-N 0 0 408.893 4.042 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)cc1 ZINC000043636364 848444109 /nfs/dbraw/zinc/44/41/09/848444109.db2.gz MLGGYLZACLVDIV-UHFFFAOYSA-N 0 0 417.538 4.422 20 30 HIEDRN C=CCn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000043751134 848460634 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HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000044887372 848613128 /nfs/dbraw/zinc/61/31/28/848613128.db2.gz DGTFAWQZZPSUIZ-HNNXBMFYSA-N 0 0 419.344 4.078 20 30 HIEDRN COc1ccc(COCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000045036432 848627038 /nfs/dbraw/zinc/62/70/38/848627038.db2.gz BVEUDRQLQYJACS-UHFFFAOYSA-N 0 0 403.438 4.218 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000045403620 848676158 /nfs/dbraw/zinc/67/61/58/848676158.db2.gz GJMUGINVBOHDHQ-UHFFFAOYSA-N 0 0 400.404 4.366 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000045404304 848676340 /nfs/dbraw/zinc/67/63/40/848676340.db2.gz DEEOLBSCHLHWEG-UHFFFAOYSA-N 0 0 404.297 4.034 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000045404803 848676381 /nfs/dbraw/zinc/67/63/81/848676381.db2.gz MGRAMCGOUBJFBK-UHFFFAOYSA-N 0 0 409.489 4.465 20 30 HIEDRN CCOc1ccccc1C(=O)NCCCC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500379 848685399 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C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000046313084 848821228 /nfs/dbraw/zinc/82/12/28/848821228.db2.gz UVMVCAWKJZHXGE-MRXNPFEDSA-N 0 0 417.440 4.033 20 30 HIEDRN CC(C)c1noc(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 ZINC000046347404 848829707 /nfs/dbraw/zinc/82/97/07/848829707.db2.gz JUHDGHFICRSTRS-UHFFFAOYSA-N 0 0 404.470 4.409 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000046359097 848832961 /nfs/dbraw/zinc/83/29/61/848832961.db2.gz BUOGRYQQVGDTOI-UHFFFAOYSA-N 0 0 417.465 4.221 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000046437581 848848953 /nfs/dbraw/zinc/84/89/53/848848953.db2.gz QKVHZRFJQDGCFO-HSZRJFAPSA-N 0 0 413.525 4.219 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000046459239 848854551 /nfs/dbraw/zinc/85/45/51/848854551.db2.gz YJWUEZMTINUVEE-MRXNPFEDSA-N 0 0 417.440 4.033 20 30 HIEDRN COc1ccc(-c2csc(NC(=O)[C@H](C)N(C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529165 848868086 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CCCc1ncc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000303957824 855320228 /nfs/dbraw/zinc/32/02/28/855320228.db2.gz YDFBZYALKUWRST-UHFFFAOYSA-N 0 0 401.542 4.363 20 30 HIEDRN COc1cc(NC(=O)Cc2ccc(C#N)cc2)c(Br)cc1Br ZINC000319422656 855385037 /nfs/dbraw/zinc/38/50/37/855385037.db2.gz HXSZARLLQZGZBV-UHFFFAOYSA-N 0 0 424.092 4.273 20 30 HIEDRN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)cc1Br ZINC000319133976 855385313 /nfs/dbraw/zinc/38/53/13/855385313.db2.gz WQEBASJUQMYLKF-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN N#Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2Br)c(F)c1 ZINC000325613488 855404192 /nfs/dbraw/zinc/40/41/92/855404192.db2.gz IDNDIWLSWGXHFT-UHFFFAOYSA-N 0 0 401.157 4.409 20 30 HIEDRN N#Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1C(F)(F)F ZINC000325810109 855405497 /nfs/dbraw/zinc/40/54/97/855405497.db2.gz HEHVDGMGURXLLP-UHFFFAOYSA-N 0 0 423.185 4.279 20 30 HIEDRN Cc1ccc(Br)cc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000326971282 855414048 /nfs/dbraw/zinc/41/40/48/855414048.db2.gz SUJZUBGQUVJGQF-UHFFFAOYSA-N 0 0 401.260 4.089 20 30 HIEDRN N#C[C@H](C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)c1nnc2n1CCCCC2 ZINC000437374405 862678244 /nfs/dbraw/zinc/67/82/44/862678244.db2.gz QTYJNRJXZUSIIV-GOSISDBHSA-N 0 0 415.428 4.442 20 30 HIEDRN N#Cc1ccc(Nc2ccc(I)cc2Br)c(N)c1 ZINC000385332858 855440958 /nfs/dbraw/zinc/44/09/58/855440958.db2.gz QVPMFKHOTUTAFX-UHFFFAOYSA-N 0 0 414.044 4.251 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c(Cl)c1 ZINC000387560577 855445407 /nfs/dbraw/zinc/44/54/07/855445407.db2.gz GKLOBTHGBUDUEI-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1Cl ZINC000387619062 855445428 /nfs/dbraw/zinc/44/54/28/855445428.db2.gz VSDPCSDNIXXGHR-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN C#CCOc1ccc(Br)cc1CNc1ccc(N2CCCCC2)nc1 ZINC000392247436 855464201 /nfs/dbraw/zinc/46/42/01/855464201.db2.gz RGEYELDFFRZXRJ-UHFFFAOYSA-N 0 0 400.320 4.459 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3cccc(COCc4ccccc4)c3)n2)c1 ZINC000409456095 855488128 /nfs/dbraw/zinc/48/81/28/855488128.db2.gz ICBUOWBOAQDANF-UHFFFAOYSA-N 0 0 422.488 4.391 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cccc(C4CCC4)c3)c(C#N)c2N)cc1 ZINC000409459565 855489106 /nfs/dbraw/zinc/48/91/06/855489106.db2.gz SVBPSYXINMKDDY-UHFFFAOYSA-N 0 0 413.525 4.265 20 30 HIEDRN CCCOc1ccc([C@@H](C)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1OC ZINC000409467189 855494602 /nfs/dbraw/zinc/49/46/02/855494602.db2.gz YBIIZRBHVVEIGX-MRXNPFEDSA-N 0 0 404.470 4.032 20 30 HIEDRN CC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000409468472 855495399 /nfs/dbraw/zinc/49/53/99/855495399.db2.gz CSOVSRPDCWLLEO-QFIPXVFZSA-N 0 0 420.513 4.078 20 30 HIEDRN C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1Cl ZINC000409472421 855498527 /nfs/dbraw/zinc/49/85/27/855498527.db2.gz XTFYCNAFADNKFG-HNNXBMFYSA-N 0 0 410.905 4.333 20 30 HIEDRN CC(C)[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000409473154 855498594 /nfs/dbraw/zinc/49/85/94/855498594.db2.gz BCFGOJROPWWRHC-JOCHJYFZSA-N 0 0 404.514 4.316 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c1 ZINC000409476916 855500599 /nfs/dbraw/zinc/50/05/99/855500599.db2.gz UZNDSRMXQNGCSL-JOCHJYFZSA-N 0 0 402.498 4.070 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000409478616 855500956 /nfs/dbraw/zinc/50/09/56/855500956.db2.gz GMFNUEKIIFISPA-UHFFFAOYSA-N 0 0 420.557 4.135 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1csc(C)n1 ZINC000409489289 855506052 /nfs/dbraw/zinc/50/60/52/855506052.db2.gz YKMQKZNDITVMIW-UHFFFAOYSA-N 0 0 412.328 4.293 20 30 HIEDRN C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409497749 855509726 /nfs/dbraw/zinc/50/97/26/855509726.db2.gz CKEZZJAIKJOFID-CYBMUJFWSA-N 0 0 409.433 4.001 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000409505261 855513484 /nfs/dbraw/zinc/51/34/84/855513484.db2.gz XJSKKPBICFHYDK-SFHVURJKSA-N 0 0 415.559 4.225 20 30 HIEDRN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CCCC2 ZINC000409518541 855520266 /nfs/dbraw/zinc/52/02/66/855520266.db2.gz MZJBFHZIMRTMMG-UHFFFAOYSA-N 0 0 410.417 4.117 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000437380377 862689319 /nfs/dbraw/zinc/68/93/19/862689319.db2.gz NMVZDFYSPNRQQA-FXAWDEMLSA-N 0 0 413.880 4.178 20 30 HIEDRN COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000409542955 855534098 /nfs/dbraw/zinc/53/40/98/855534098.db2.gz JVVZWIXAHWBQFC-GOSISDBHSA-N 0 0 410.417 4.111 20 30 HIEDRN COc1cccc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)c1 ZINC000409563503 855542813 /nfs/dbraw/zinc/54/28/13/855542813.db2.gz RLWKHNXSHDHSSW-UHFFFAOYSA-N 0 0 424.444 4.154 20 30 HIEDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409565610 855543470 /nfs/dbraw/zinc/54/34/70/855543470.db2.gz NCLKYRZRAYOEGN-QHCPKHFHSA-N 0 0 422.492 4.427 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)n1cnc(C#N)n1 ZINC000409566261 855544098 /nfs/dbraw/zinc/54/40/98/855544098.db2.gz WDKASVGPSYJFTO-NSHDSACASA-N 0 0 419.338 4.300 20 30 HIEDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1 ZINC000409576850 855549500 /nfs/dbraw/zinc/54/95/00/855549500.db2.gz XYRKXLGOHFQJIR-TZIWHRDSSA-N 0 0 416.481 4.120 20 30 HIEDRN Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)cs1 ZINC000409576737 855549742 /nfs/dbraw/zinc/54/97/42/855549742.db2.gz PGOANXGKSVAUFI-UHFFFAOYSA-N 0 0 413.506 4.148 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1OCC(C)C ZINC000409585353 855553743 /nfs/dbraw/zinc/55/37/43/855553743.db2.gz OJRROMRPWZKEKE-QGZVFWFLSA-N 0 0 418.497 4.278 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)n2)c1 ZINC000409594560 855557389 /nfs/dbraw/zinc/55/73/89/855557389.db2.gz AOWRMPKWMLDQQN-LJQANCHMSA-N 0 0 408.408 4.153 20 30 HIEDRN CC(C)(C)c1ccc(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000409618575 855567506 /nfs/dbraw/zinc/56/75/06/855567506.db2.gz CFVJLCBPITXYGA-UHFFFAOYSA-N 0 0 418.541 4.416 20 30 HIEDRN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000409643683 855579710 /nfs/dbraw/zinc/57/97/10/855579710.db2.gz DJYKLSHXJYZGFU-GOSISDBHSA-N 0 0 404.445 4.068 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C[C@H]3CCCCC(=O)N3)cc2Cl)c1 ZINC000409651399 855584009 /nfs/dbraw/zinc/58/40/09/855584009.db2.gz XHBUCPGKXNDFKA-QGZVFWFLSA-N 0 0 411.889 4.178 20 30 HIEDRN C=CCN(C(=O)CC1CC(c2ccccc2)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000409673322 855595886 /nfs/dbraw/zinc/59/58/86/855595886.db2.gz YZCCKTCASGLODS-FLPIEVNYSA-N 0 0 401.514 4.322 20 30 HIEDRN CC(C)c1ccc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1 ZINC000409701254 855610141 /nfs/dbraw/zinc/61/01/41/855610141.db2.gz OVFQMLDZEVDWIS-UHFFFAOYSA-N 0 0 420.492 4.343 20 30 HIEDRN C=CCOc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1Cl ZINC000409712730 855616005 /nfs/dbraw/zinc/61/60/05/855616005.db2.gz QGYJHHGFANYYAA-GXDHUFHOSA-N 0 0 409.829 4.467 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)n2)c1 ZINC000409733474 855626183 /nfs/dbraw/zinc/62/61/83/855626183.db2.gz QTDCYDKPRHIIKF-VWLOTQADSA-N 0 0 422.488 4.432 20 30 HIEDRN CCc1ccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 ZINC000437384787 862702494 /nfs/dbraw/zinc/70/24/94/862702494.db2.gz MFGVRQUPJIYGJC-UHFFFAOYSA-N 0 0 415.468 4.427 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000409766138 855642677 /nfs/dbraw/zinc/64/26/77/855642677.db2.gz SXCANFPVJSDJFT-UHFFFAOYSA-N 0 0 405.767 4.372 20 30 HIEDRN C[C@@H]1CCCC[C@H]1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000409794936 855657608 /nfs/dbraw/zinc/65/76/08/855657608.db2.gz YPPKTRUSHVPKJW-CJNGLKHVSA-N 0 0 401.561 4.650 20 30 HIEDRN C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000409794938 855657618 /nfs/dbraw/zinc/65/76/18/855657618.db2.gz YPPKTRUSHVPKJW-CZUORRHYSA-N 0 0 401.561 4.650 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCCC[C@@H]3c3nc(-c4ccccc4)no3)n2)c1 ZINC000409800818 855660003 /nfs/dbraw/zinc/66/00/03/855660003.db2.gz WOIBSYJOVUSTBY-OAQYLSRUSA-N 0 0 424.464 4.161 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000437386032 862705727 /nfs/dbraw/zinc/70/57/27/862705727.db2.gz APGJGRLBSGUYDG-GFCCVEGCSA-N 0 0 412.902 4.173 20 30 HIEDRN C=CCN(C(=O)Cc1csc(-c2ccccc2)n1)c1nc(C(=O)OCC)cs1 ZINC000409835357 855679287 /nfs/dbraw/zinc/67/92/87/855679287.db2.gz ZYBZWHCLTYGKKT-UHFFFAOYSA-N 0 0 413.524 4.205 20 30 HIEDRN Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(F)c2)cc1C ZINC000409846237 855684508 /nfs/dbraw/zinc/68/45/08/855684508.db2.gz YNVCRZSYZHJELG-UHFFFAOYSA-N 0 0 414.484 4.339 20 30 HIEDRN N#Cc1ccc(CNC(=O)CSCc2c(F)ccc(Br)c2F)cc1 ZINC000409864750 855694368 /nfs/dbraw/zinc/69/43/68/855694368.db2.gz PKKGFAUODGXYKS-UHFFFAOYSA-N 0 0 411.271 4.149 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](Nc3ccc(F)cc3OCCC(F)(F)F)C2=O)cc1 ZINC000409894410 855710290 /nfs/dbraw/zinc/71/02/90/855710290.db2.gz CJGUMWPNTDZLEA-QGZVFWFLSA-N 0 0 407.367 4.246 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000409910491 855719355 /nfs/dbraw/zinc/71/93/55/855719355.db2.gz LYHXCVPZZVUUMK-IAGOWNOFSA-N 0 0 418.299 4.456 20 30 HIEDRN N#Cc1ccc(NCC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000410102857 855821363 /nfs/dbraw/zinc/82/13/63/855821363.db2.gz NWHJBUWGAOYFMW-UHFFFAOYSA-N 0 0 405.395 4.476 20 30 HIEDRN C=CCNc1ncc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)s1 ZINC000410110960 855825171 /nfs/dbraw/zinc/82/51/71/855825171.db2.gz RDUDJRZXSZQKLN-UHFFFAOYSA-N 0 0 413.440 4.861 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)C1=O ZINC000410114854 855826790 /nfs/dbraw/zinc/82/67/90/855826790.db2.gz CYPSCGVERCQEIJ-QFIPXVFZSA-N 0 0 419.500 4.152 20 30 HIEDRN CCN(Cc1c(F)cccc1F)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410115791 855826908 /nfs/dbraw/zinc/82/69/08/855826908.db2.gz MQGGNAGPIYOUCO-UHFFFAOYSA-N 0 0 404.360 4.066 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1=O ZINC000410122081 855829393 /nfs/dbraw/zinc/82/93/93/855829393.db2.gz VBLYGAKSCFKATC-HNNXBMFYSA-N 0 0 420.296 4.040 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1cccc(Br)c1I ZINC000410133080 855833609 /nfs/dbraw/zinc/83/36/09/855833609.db2.gz ZTBJTNBUZXUICI-VIFPVBQESA-N 0 0 408.077 4.138 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c1C#N ZINC000410172220 855849918 /nfs/dbraw/zinc/84/99/18/855849918.db2.gz NCJBTDWTLAIPCP-CYBMUJFWSA-N 0 0 409.511 4.032 20 30 HIEDRN CCS(=O)(=O)c1cccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)c1 ZINC000410207183 855862717 /nfs/dbraw/zinc/86/27/17/855862717.db2.gz WATMTVIIAAOZES-UHFFFAOYSA-N 0 0 420.490 4.074 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410214093 855864814 /nfs/dbraw/zinc/86/48/14/855864814.db2.gz JNLFWYDDNLFJHO-UHFFFAOYSA-N 0 0 402.853 4.086 20 30 HIEDRN C[C@@H](CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000410219625 855866619 /nfs/dbraw/zinc/86/66/19/855866619.db2.gz YDCSRGMYFWQNCN-KRWDZBQOSA-N 0 0 418.497 4.333 20 30 HIEDRN N#Cc1ccc(SCC(=O)N[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000410259108 855885879 /nfs/dbraw/zinc/88/58/79/855885879.db2.gz ANEURLYJXSVRTM-INIZCTEOSA-N 0 0 403.301 4.053 20 30 HIEDRN COc1cccc(Cc2nnc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)s2)c1 ZINC000410297300 855913697 /nfs/dbraw/zinc/91/36/97/855913697.db2.gz RKXWHZNUHOXCKO-HXUWFJFHSA-N 0 0 422.510 4.051 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410310768 855920572 /nfs/dbraw/zinc/92/05/72/855920572.db2.gz XWROVABNWPLISC-CQSZACIVSA-N 0 0 407.297 4.308 20 30 HIEDRN CC(=O)Nc1cc(OCCC(C)(C)C#N)c(Br)cc1Br ZINC000410316322 855924739 /nfs/dbraw/zinc/92/47/39/855924739.db2.gz FEMYCQYMMQCBRD-UHFFFAOYSA-N 0 0 404.102 4.489 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1c(F)cccc1Oc1ccccc1)c1ccc(C#N)cc1 ZINC000410323667 855928244 /nfs/dbraw/zinc/92/82/44/855928244.db2.gz DQIFONUPRWSIMP-HNNXBMFYSA-N 0 0 403.413 4.306 20 30 HIEDRN CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000410323873 855928574 /nfs/dbraw/zinc/92/85/74/855928574.db2.gz GLXAMLZXWSUFAO-UHFFFAOYSA-N 0 0 402.781 4.234 20 30 HIEDRN Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 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ZINC000426513416 856328795 /nfs/dbraw/zinc/32/87/95/856328795.db2.gz IOMFRYRXAOTOAZ-KRWDZBQOSA-N 0 0 406.467 4.013 20 30 HIEDRN CCOC[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 ZINC000426522186 856333149 /nfs/dbraw/zinc/33/31/49/856333149.db2.gz JUJFQXNLUDFCHJ-IAGOWNOFSA-N 0 0 417.619 4.458 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(CC(=O)NCCc2ccccc2)no1 ZINC000426523684 856333263 /nfs/dbraw/zinc/33/32/63/856333263.db2.gz MRXRXBKRQOOXQJ-UHFFFAOYSA-N 0 0 402.479 4.033 20 30 HIEDRN CCOC[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)C1 ZINC000426522185 856333329 /nfs/dbraw/zinc/33/33/29/856333329.db2.gz JUJFQXNLUDFCHJ-DLBZAZTESA-N 0 0 417.619 4.458 20 30 HIEDRN CC(C)(C)Oc1ccc(-c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)nc1 ZINC000426558825 856347138 /nfs/dbraw/zinc/34/71/38/856347138.db2.gz WEKQJQXEYRZGHN-UHFFFAOYSA-N 0 0 419.485 4.188 20 30 HIEDRN CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426571050 856354474 /nfs/dbraw/zinc/35/44/74/856354474.db2.gz RGTLFECCEWNCPZ-NRFANRHFSA-N 0 0 421.497 4.097 20 30 HIEDRN Cc1cc(-c2nc(-c3ccc(OC(C)(C)C)cn3)no2)nn1-c1cccc(C#N)c1 ZINC000426576138 856356337 /nfs/dbraw/zinc/35/63/37/856356337.db2.gz AOLAYSKQZIYXHG-UHFFFAOYSA-N 0 0 400.442 4.342 20 30 HIEDRN Cc1cn2c(nc(C)c2-c2noc(-c3cc(C)n(-c4cccc(C#N)c4)n3)n2)s1 ZINC000426597045 856366224 /nfs/dbraw/zinc/36/62/24/856366224.db2.gz YYQSHFQIKXGRFC-UHFFFAOYSA-N 0 0 401.455 4.095 20 30 HIEDRN CC(C)(C)C1CCC(c2cc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)n[nH]2)CC1 ZINC000426603389 856369446 /nfs/dbraw/zinc/36/94/46/856369446.db2.gz BAEDBPOIDKYEFK-UHFFFAOYSA-N 0 0 411.481 4.318 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1Cl ZINC000437419186 862789574 /nfs/dbraw/zinc/78/95/74/862789574.db2.gz PHUNBPWMZFRFGS-UHFFFAOYSA-N 0 0 415.877 4.363 20 30 HIEDRN C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1nc(C(F)(F)F)cs1 ZINC000426635939 856386570 /nfs/dbraw/zinc/38/65/70/856386570.db2.gz CJIMJSAOGVDIRM-GFCCVEGCSA-N 0 0 424.448 4.348 20 30 HIEDRN Cc1ccc(C[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C(=O)[O-])cc1 ZINC000426639675 856388622 /nfs/dbraw/zinc/38/86/22/856388622.db2.gz XMJFZZKUMOVJDZ-XMMPIXPASA-N 0 0 414.505 4.479 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000426646117 856391526 /nfs/dbraw/zinc/39/15/26/856391526.db2.gz HSRDHLVSDBFNCQ-INIZCTEOSA-N 0 0 401.869 4.027 20 30 HIEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(F)cc1 ZINC000426677224 856408534 /nfs/dbraw/zinc/40/85/34/856408534.db2.gz KLQACWAHOBEERM-MRXNPFEDSA-N 0 0 417.440 4.348 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000426702595 856420527 /nfs/dbraw/zinc/42/05/27/856420527.db2.gz HGVQYWCOODEADU-HXUWFJFHSA-N 0 0 401.466 4.447 20 30 HIEDRN N#Cc1cccc(NCC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC000426730906 856439403 /nfs/dbraw/zinc/43/94/03/856439403.db2.gz BUOLTHFOJMGKBF-LJAQVGFWSA-N 0 0 403.507 4.058 20 30 HIEDRN C=C(C)COc1cc(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])ccc1OC ZINC000426755692 856458761 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CS[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)(C)C ZINC000426973306 856571474 /nfs/dbraw/zinc/57/14/74/856571474.db2.gz RTZMTWIZXDAUSL-IBGZPJMESA-N 0 0 411.527 4.183 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2F)c(F)c1 ZINC000437445919 862813398 /nfs/dbraw/zinc/81/33/98/862813398.db2.gz JQVXZJZRCASCEZ-UHFFFAOYSA-N 0 0 405.404 4.004 20 30 HIEDRN C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427028259 856602036 /nfs/dbraw/zinc/60/20/36/856602036.db2.gz QHDVAQNGIVOWJA-QFIPXVFZSA-N 0 0 423.469 4.366 20 30 HIEDRN Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427104553 856639586 /nfs/dbraw/zinc/63/95/86/856639586.db2.gz OMCTYIJKHJQMLU-UHFFFAOYSA-N 0 0 424.457 4.451 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2)cc1 ZINC000427123749 856651426 /nfs/dbraw/zinc/65/14/26/856651426.db2.gz ZIWKNRMHYZBKBD-UHFFFAOYSA-N 0 0 421.453 4.143 20 30 HIEDRN C=CC[C@@H](C(=O)Nc1cc(NS(=O)(=O)CCC)c(F)cc1F)c1ccccc1 ZINC000427121443 856652117 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HIEDRN CN(CCCNC(=O)C1CCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000429462239 857682343 /nfs/dbraw/zinc/68/23/43/857682343.db2.gz AJYHWPISWVTTLJ-UHFFFAOYSA-N 0 0 406.486 4.121 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(-c4noc(CC(C)(C)C)n4)c3)nc21 ZINC000429576958 857763660 /nfs/dbraw/zinc/76/36/60/857763660.db2.gz ZGZYTRKHAIIAKZ-INIZCTEOSA-N 0 0 414.469 4.395 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Nc3ccnn3Cc3ccc(F)cc3)CC2)cc1 ZINC000429580155 857765642 /nfs/dbraw/zinc/76/56/42/857765642.db2.gz SVENZYOZPQJYKZ-UHFFFAOYSA-N 0 0 401.445 4.263 20 30 HIEDRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CCC(O)(C(F)F)CC1 ZINC000429589411 857772733 /nfs/dbraw/zinc/77/27/33/857772733.db2.gz IUJOFPPNMQKDLB-LLVKDONJSA-N 0 0 420.300 4.110 20 30 HIEDRN Cc1c(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000429597827 857778705 /nfs/dbraw/zinc/77/87/05/857778705.db2.gz MTJLNYCRUIIHDA-OAHLLOKOSA-N 0 0 424.386 4.269 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000429628557 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HIEDRN C[C@H](OCCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1 ZINC000429732622 857855936 /nfs/dbraw/zinc/85/59/36/857855936.db2.gz ROGISAMHEGJSPT-IBGZPJMESA-N 0 0 402.498 4.361 20 30 HIEDRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N[C@H](CO)CC(F)F ZINC000429737561 857859702 /nfs/dbraw/zinc/85/97/02/857859702.db2.gz MGPSZXLOTJAPHD-QMMMGPOBSA-N 0 0 408.339 4.200 20 30 HIEDRN CC(C)(C)Oc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000429802461 857889789 /nfs/dbraw/zinc/88/97/89/857889789.db2.gz CMIFLOGUIXGRDW-UHFFFAOYSA-N 0 0 414.509 4.246 20 30 HIEDRN Cc1ccc(SC2(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CCCC2)cc1 ZINC000429832161 857901463 /nfs/dbraw/zinc/90/14/63/857901463.db2.gz MVDPNIRTNSZZDI-UHFFFAOYSA-N 0 0 406.555 4.015 20 30 HIEDRN CCCN(Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000430060980 858017031 /nfs/dbraw/zinc/01/70/31/858017031.db2.gz PKAMPBJOIDHPMC-UHFFFAOYSA-N 0 0 404.539 4.357 20 30 HIEDRN C=CC[C@H](C(=O)NC[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1 ZINC000430118827 858040078 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Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)nnn1-c1cccc(Br)c1 ZINC000430356959 858131814 /nfs/dbraw/zinc/13/18/14/858131814.db2.gz OACWGPZOHSCRSX-UHFFFAOYSA-N 0 0 416.666 4.116 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)c1 ZINC000430381666 858141019 /nfs/dbraw/zinc/14/10/19/858141019.db2.gz VLDSSMFECPFNSL-UHFFFAOYSA-N 0 0 419.525 4.446 20 30 HIEDRN CCc1noc(-c2ccc(C)c(NC(=O)CCCOc3ccc(C#N)cc3OC)c2)n1 ZINC000430443894 858167646 /nfs/dbraw/zinc/16/76/46/858167646.db2.gz FMFZVMMTRGHFQE-UHFFFAOYSA-N 0 0 420.469 4.285 20 30 HIEDRN C[C@H]1CC(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)Cc1ccc(C#N)cc1 ZINC000430454976 858173532 /nfs/dbraw/zinc/17/35/32/858173532.db2.gz LOQDZJHSBXFXJI-IBGZPJMESA-N 0 0 409.489 4.459 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)o2)cc1 ZINC000430459534 858176628 /nfs/dbraw/zinc/17/66/28/858176628.db2.gz VAVSRWLNSRVTCG-GOSISDBHSA-N 0 0 421.884 4.392 20 30 HIEDRN C[C@H](CNC(=O)c1cccc(SCC#N)c1)Oc1cccc(Br)c1 ZINC000430590925 858229616 /nfs/dbraw/zinc/22/96/16/858229616.db2.gz DSMVKSXYYSMGMI-CYBMUJFWSA-N 0 0 405.317 4.262 20 30 HIEDRN CC(C)(C)n1cc(C#N)c(NC(=O)CCc2cc(Cl)ccc2Br)n1 ZINC000430622351 858239615 /nfs/dbraw/zinc/23/96/15/858239615.db2.gz LDNHUZRRZGXWQD-UHFFFAOYSA-N 0 0 409.715 4.497 20 30 HIEDRN C[C@@H](CNC(=O)c1cccc(SCC#N)c1)Oc1ccccc1Br ZINC000430646008 858245231 /nfs/dbraw/zinc/24/52/31/858245231.db2.gz VTFXHJCBPZVLDL-ZDUSSCGKSA-N 0 0 405.317 4.262 20 30 HIEDRN Cc1cc(C)c(-c2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)n[nH]2)cc1C ZINC000430669662 858260887 /nfs/dbraw/zinc/26/08/87/858260887.db2.gz RSMVSCSQROYZBD-UHFFFAOYSA-N 0 0 424.508 5.031 20 30 HIEDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000430686923 858269096 /nfs/dbraw/zinc/26/90/96/858269096.db2.gz OMYLHKBWNGNTBG-OSPHWJPCSA-N 0 0 407.489 4.292 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccc(OCCC)c(OC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430722778 858279044 /nfs/dbraw/zinc/27/90/44/858279044.db2.gz GBSXMOPAESBYAP-HXUWFJFHSA-N 0 0 408.498 4.046 20 30 HIEDRN C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000430743534 858284381 /nfs/dbraw/zinc/28/43/81/858284381.db2.gz KWWPCRKGFPBIDH-MRXNPFEDSA-N 0 0 416.506 4.441 20 30 HIEDRN C[C@H](c1ccc(C#N)cc1)N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O ZINC000430749447 858287388 /nfs/dbraw/zinc/28/73/88/858287388.db2.gz JVBNEEQBTYCQNW-CYBMUJFWSA-N 0 0 402.281 4.433 20 30 HIEDRN COc1ccc([C@@H]2NC(=O)N(CC#Cc3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000430790036 858307033 /nfs/dbraw/zinc/30/70/33/858307033.db2.gz CTGPSQYKFBLKTA-KRWDZBQOSA-N 0 0 422.790 4.012 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(OC(F)F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430857394 858337837 /nfs/dbraw/zinc/33/78/37/858337837.db2.gz LVDLOYHUYWCJDU-HNAYVOBHSA-N 0 0 400.425 4.411 20 30 HIEDRN COc1ccc([C@@H](NC(=O)NCC2(CC#N)CC2)c2ccccc2Cl)c(OC)c1 ZINC000430870729 858348062 /nfs/dbraw/zinc/34/80/62/858348062.db2.gz XONFYEFKWRAXCK-FQEVSTJZSA-N 0 0 413.905 4.440 20 30 HIEDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000430901863 858361823 /nfs/dbraw/zinc/36/18/23/858361823.db2.gz WRDFDFNELQCBRV-RRQZXNHTSA-N 0 0 419.525 4.266 20 30 HIEDRN CC(C)(NC(=O)NCc1c(F)cc(F)c(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000430945443 858378656 /nfs/dbraw/zinc/37/86/56/858378656.db2.gz XJTCLDRUHKQXQS-UHFFFAOYSA-N 0 0 415.334 4.453 20 30 HIEDRN C=CCN1C(=O)N([C@@H](c2nccs2)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431051745 858419617 /nfs/dbraw/zinc/41/96/17/858419617.db2.gz QFNMAKRCPIFJPB-VQTJNVASSA-N 0 0 403.507 4.294 20 30 HIEDRN O=C(NCCF)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 ZINC000437682156 863022953 /nfs/dbraw/zinc/02/29/53/863022953.db2.gz RVYOXFBYDABPAK-UHFFFAOYSA-N 0 0 409.305 4.098 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CNc1cc(C(N)=O)c(Cl)cc1Cl ZINC000431090320 858442856 /nfs/dbraw/zinc/44/28/56/858442856.db2.gz KBBMWKRKRCIXAV-UHFFFAOYSA-N 0 0 410.326 4.421 20 30 HIEDRN Cc1nc(CCC(=O)NCC2(CC#N)CC2)oc1-c1ccc(Br)cc1 ZINC000431166717 858482202 /nfs/dbraw/zinc/48/22/02/858482202.db2.gz AGHMREYXHLHTJY-UHFFFAOYSA-N 0 0 402.292 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ZINC000431319148 858562025 /nfs/dbraw/zinc/56/20/25/858562025.db2.gz OPTJKRHSZOMFAU-QFIPXVFZSA-N 0 0 414.465 4.258 20 30 HIEDRN CC(C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000431324420 858565212 /nfs/dbraw/zinc/56/52/12/858565212.db2.gz AOTBWHKRVPWJQE-UHFFFAOYSA-N 0 0 406.467 4.430 20 30 HIEDRN CN(C)c1cccc(CN(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000431368511 858582631 /nfs/dbraw/zinc/58/26/31/858582631.db2.gz HONPIYAFOLPMFE-UHFFFAOYSA-N 0 0 405.527 4.335 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3c[nH]c(C(F)(F)F)c3)s2)cc1 ZINC000431396301 858593026 /nfs/dbraw/zinc/59/30/26/858593026.db2.gz LVEGRCYQXJSIKT-UHFFFAOYSA-N 0 0 409.418 4.301 20 30 HIEDRN C=CCN(C(=O)NCc1ccc(C2CC2)cc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000431398601 858594594 /nfs/dbraw/zinc/59/45/94/858594594.db2.gz FXAWOFADBIPNMJ-MRXNPFEDSA-N 0 0 420.492 4.138 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431471339 858631824 /nfs/dbraw/zinc/63/18/24/858631824.db2.gz LCXRGXWUGOMVSD-MSOLQXFVSA-N 0 0 414.259 4.269 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431470090 858632322 /nfs/dbraw/zinc/63/23/22/858632322.db2.gz GHMUGTWZWFYOHS-WOJBJXKFSA-N 0 0 402.416 4.469 20 30 HIEDRN COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 ZINC000431489483 858640959 /nfs/dbraw/zinc/64/09/59/858640959.db2.gz YXFCUOOZNZQGRO-QFIPXVFZSA-N 0 0 411.461 4.488 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000431570543 858673039 /nfs/dbraw/zinc/67/30/39/858673039.db2.gz LECGUEZMAUDEMU-UHFFFAOYSA-N 0 0 403.442 4.028 20 30 HIEDRN N#CCc1ccc(NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000431586758 858678480 /nfs/dbraw/zinc/67/84/80/858678480.db2.gz LHHFPOCVYBYURT-NTKDMRAZSA-N 0 0 413.481 4.388 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC000431628337 858699513 /nfs/dbraw/zinc/69/95/13/858699513.db2.gz PBAUZVVJHWYJEO-HNNXBMFYSA-N 0 0 416.396 4.438 20 30 HIEDRN Cc1cc(Br)ccc1S(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431633636 858702800 /nfs/dbraw/zinc/70/28/00/858702800.db2.gz DEOFNUHDVWEGHM-QGZVFWFLSA-N 0 0 407.333 4.471 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000431636695 858703591 /nfs/dbraw/zinc/70/35/91/858703591.db2.gz QNIXREXLABRRFD-SFHVURJKSA-N 0 0 407.417 4.291 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000431636694 858704024 /nfs/dbraw/zinc/70/40/24/858704024.db2.gz QNIXREXLABRRFD-GOSISDBHSA-N 0 0 407.417 4.291 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431645594 858708668 /nfs/dbraw/zinc/70/86/68/858708668.db2.gz YMZKYLBMNRENTR-KRWDZBQOSA-N 0 0 406.486 4.128 20 30 HIEDRN Cc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)c(O[C@@H](C)CC(C)C)c1 ZINC000431739198 858777143 /nfs/dbraw/zinc/77/71/43/858777143.db2.gz YVWOTAAJUPJRNB-KRWDZBQOSA-N 0 0 407.514 4.243 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000431748893 858785535 /nfs/dbraw/zinc/78/55/35/858785535.db2.gz ARFMXDLUJHRXBI-SFHVURJKSA-N 0 0 414.893 4.225 20 30 HIEDRN COc1cccc(C(=O)CCCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000431791579 858813513 /nfs/dbraw/zinc/81/35/13/858813513.db2.gz PFSRIIMUACGVAY-SFHVURJKSA-N 0 0 415.287 4.192 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431815102 858825145 /nfs/dbraw/zinc/82/51/45/858825145.db2.gz UVDDREMZFPUYQP-UHFFFAOYSA-N 0 0 400.232 4.057 20 30 HIEDRN Cc1cccc([C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)N2CCOCC2)c1 ZINC000431818058 858826133 /nfs/dbraw/zinc/82/61/33/858826133.db2.gz MSQNRJBDPOBPTC-BJKOFHAPSA-N 0 0 420.557 4.103 20 30 HIEDRN COC[C@@H](C)n1c(SCC(=O)Nc2cccc(C#N)c2C)nnc1-c1ccccc1 ZINC000431841199 858836370 /nfs/dbraw/zinc/83/63/70/858836370.db2.gz QATSPSFBNUJBQV-OAHLLOKOSA-N 0 0 421.526 4.063 20 30 HIEDRN C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873429 858849716 /nfs/dbraw/zinc/84/97/16/858849716.db2.gz UCCCQNLGQUZDDB-YKSBVNFPSA-N 0 0 420.557 4.142 20 30 HIEDRN Cc1cc(C(=O)Nc2cccc(C#N)c2C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000431874035 858850834 /nfs/dbraw/zinc/85/08/34/858850834.db2.gz WYCLNODFHLZBJG-UHFFFAOYSA-N 0 0 405.498 4.127 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000431955500 858885752 /nfs/dbraw/zinc/88/57/52/858885752.db2.gz QZDXXZTYQFNSHP-IBGZPJMESA-N 0 0 409.898 4.426 20 30 HIEDRN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000431967860 858893300 /nfs/dbraw/zinc/89/33/00/858893300.db2.gz WDQQNMUPNGNYHB-GAJHUEQPSA-N 0 0 407.470 4.152 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000431969206 858893965 /nfs/dbraw/zinc/89/39/65/858893965.db2.gz LOSIHRURULCUNH-NRFANRHFSA-N 0 0 403.869 4.364 20 30 HIEDRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@H](CCCC#N)c3ccccc3)C2)c1 ZINC000431975415 858898117 /nfs/dbraw/zinc/89/81/17/858898117.db2.gz XGOHLAUUYHOPLF-AUSIDOKSSA-N 0 0 422.529 4.017 20 30 HIEDRN C=CCN1C(=O)N([C@@H](c2ccco2)c2ccccc2OC)C(=O)[C@@H]1Cc1ccccc1 ZINC000432049843 858950948 /nfs/dbraw/zinc/95/09/48/858950948.db2.gz OJCLDKDIQQHYDG-NZQKXSOJSA-N 0 0 416.477 4.439 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2nc(C3CCCCC3)no2)C(=O)[C@@H]1Cc1ccccc1 ZINC000432054543 858953409 /nfs/dbraw/zinc/95/34/09/858953409.db2.gz MBSGEBAWMQKQIJ-APWZRJJASA-N 0 0 408.502 4.240 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@]2(CCOC2)O1 ZINC000432059814 858958708 /nfs/dbraw/zinc/95/87/08/858958708.db2.gz BQKREZIFOJUTPV-AUSIDOKSSA-N 0 0 407.470 4.152 20 30 HIEDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000432061267 858959920 /nfs/dbraw/zinc/95/99/20/858959920.db2.gz MEQJGZXNCWGCFZ-UHFFFAOYSA-N 0 0 404.445 4.378 20 30 HIEDRN COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N[C@@H](C)C#N)c1OC ZINC000432136669 859010962 /nfs/dbraw/zinc/01/09/62/859010962.db2.gz QIAWMORJUUBGJQ-XERWBJCMSA-N 0 0 413.477 4.381 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000432188075 859037873 /nfs/dbraw/zinc/03/78/73/859037873.db2.gz YUTYQWZOUYULPT-UHFFFAOYSA-N 0 0 421.831 4.238 20 30 HIEDRN Cc1ccc(CN(CCO)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)o1 ZINC000432247688 859067133 /nfs/dbraw/zinc/06/71/33/859067133.db2.gz UVOUNZXAUNJHRD-UHFFFAOYSA-N 0 0 409.417 4.418 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000432260810 859073102 /nfs/dbraw/zinc/07/31/02/859073102.db2.gz YSUSMSWDTCXWPN-UHFFFAOYSA-N 0 0 423.826 4.288 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCN(c2cccnn2)CC1 ZINC000467558158 881380735 /nfs/dbraw/zinc/38/07/35/881380735.db2.gz RUPDKSWFHHWKTA-INIZCTEOSA-N 0 0 410.547 4.004 20 30 HIEDRN Cc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000432303049 859093023 /nfs/dbraw/zinc/09/30/23/859093023.db2.gz PGVGKMZUXDUYDX-UHFFFAOYSA-N 0 0 401.470 4.128 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000432302640 859093441 /nfs/dbraw/zinc/09/34/41/859093441.db2.gz NPSNYSUWVRUDQK-QFIPXVFZSA-N 0 0 412.493 4.446 20 30 HIEDRN CC(C)C1CCC(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000432320457 859101999 /nfs/dbraw/zinc/10/19/99/859101999.db2.gz PAEGJGAWWYPNTH-WWDZGPRUSA-N 0 0 401.576 4.455 20 30 HIEDRN Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)ccc1OC1CCOCC1 ZINC000432322839 859102223 /nfs/dbraw/zinc/10/22/23/859102223.db2.gz NLEBTAXEISXOOI-UHFFFAOYSA-N 0 0 421.497 4.172 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000432326274 859104591 /nfs/dbraw/zinc/10/45/91/859104591.db2.gz BFHHHTNQSYGJTH-UHFFFAOYSA-N 0 0 421.497 4.111 20 30 HIEDRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000467559590 881382484 /nfs/dbraw/zinc/38/24/84/881382484.db2.gz JEBLQKOBISUATJ-CVEARBPZSA-N 0 0 408.317 4.439 20 30 HIEDRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000467559593 881382703 /nfs/dbraw/zinc/38/27/03/881382703.db2.gz JEBLQKOBISUATJ-JKSUJKDBSA-N 0 0 408.317 4.439 20 30 HIEDRN Cc1ccc([C@@H]2CSCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000432342222 859111325 /nfs/dbraw/zinc/11/13/25/859111325.db2.gz HMTXIZKBHWREAM-NRFANRHFSA-N 0 0 407.539 4.292 20 30 HIEDRN N#Cc1cc(NCc2ccc(Br)cc2N2CCOCC2)ccc1Cl ZINC000432415526 859154392 /nfs/dbraw/zinc/15/43/92/859154392.db2.gz CYESOEHRAZJNIC-UHFFFAOYSA-N 0 0 406.711 4.423 20 30 HIEDRN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000432457366 859171519 /nfs/dbraw/zinc/17/15/19/859171519.db2.gz ALGKMWFTNCPSEP-CQSZACIVSA-N 0 0 401.413 4.146 20 30 HIEDRN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000432457365 859171722 /nfs/dbraw/zinc/17/17/22/859171722.db2.gz ALGKMWFTNCPSEP-AWEZNQCLSA-N 0 0 401.413 4.146 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)nc1 ZINC000432465272 859175616 /nfs/dbraw/zinc/17/56/16/859175616.db2.gz ORVLYTROOVNBIO-CYBMUJFWSA-N 0 0 410.783 4.311 20 30 HIEDRN C=CCn1c(SCC(=O)NC[C@]2(C)CCCS2)nnc1-c1ccc(Cl)cc1 ZINC000467578670 881394283 /nfs/dbraw/zinc/39/42/83/881394283.db2.gz OESPLVZMLSEJAP-IBGZPJMESA-N 0 0 423.007 4.279 20 30 HIEDRN Cc1ccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(O[C@H]2CCOC2)c1 ZINC000467571434 881391897 /nfs/dbraw/zinc/39/18/97/881391897.db2.gz XSQNKWSLQCUIJP-KRWDZBQOSA-N 0 0 419.403 4.375 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432485819 859188794 /nfs/dbraw/zinc/18/87/94/859188794.db2.gz ONIBEVBTUIGJJQ-FQEVSTJZSA-N 0 0 419.447 4.452 20 30 HIEDRN C=CCOc1ccccc1C(=O)N1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000432502748 859197612 /nfs/dbraw/zinc/19/76/12/859197612.db2.gz TZKIZWIYTJXASG-UHFFFAOYSA-N 0 0 412.555 4.470 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)NCCc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000432539292 859215729 /nfs/dbraw/zinc/21/57/29/859215729.db2.gz BBXQBCKBTVXJQL-UHFFFAOYSA-N 0 0 400.404 4.013 20 30 HIEDRN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000432542476 859217974 /nfs/dbraw/zinc/21/79/74/859217974.db2.gz UMPYJWVGUKBZOI-IBGZPJMESA-N 0 0 401.857 4.013 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CCOC[C@H]1C ZINC000432544505 859218755 /nfs/dbraw/zinc/21/87/55/859218755.db2.gz FLIBVFQCDZRLCZ-KDOFPFPSSA-N 0 0 413.543 4.180 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3ccccc3)C3CC3)CC2)c(F)c1 ZINC000432625038 859260551 /nfs/dbraw/zinc/26/05/51/859260551.db2.gz YRUGWJXQELAAPC-NRFANRHFSA-N 0 0 407.489 4.444 20 30 HIEDRN C=CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000432682430 859290931 /nfs/dbraw/zinc/29/09/31/859290931.db2.gz ZSHKHKXXAIJERT-UHFFFAOYSA-N 0 0 414.868 4.343 20 30 HIEDRN CN(CCCOc1ccc(Cl)cc1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432717846 859316129 /nfs/dbraw/zinc/31/61/29/859316129.db2.gz NNBOEDMMGJIKTN-UHFFFAOYSA-N 0 0 413.905 4.248 20 30 HIEDRN CCCOc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCCC ZINC000432729701 859323866 /nfs/dbraw/zinc/32/38/66/859323866.db2.gz ICFODGGQWBPUDO-LJQANCHMSA-N 0 0 424.501 4.216 20 30 HIEDRN N#CCCN(CC(F)(F)F)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000432747626 859332736 /nfs/dbraw/zinc/33/27/36/859332736.db2.gz PCERUZJHRHJBFP-UHFFFAOYSA-N 0 0 403.120 4.386 20 30 HIEDRN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H]1C(C)C ZINC000432759320 859339202 /nfs/dbraw/zinc/33/92/02/859339202.db2.gz QQBIYCMROBIHOT-SFTDATJTSA-N 0 0 407.470 4.402 20 30 HIEDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000432768019 859347686 /nfs/dbraw/zinc/34/76/86/859347686.db2.gz WCZWTJVSHVCAPB-FQEVSTJZSA-N 0 0 420.513 4.488 20 30 HIEDRN Cc1nc([C@@](C)(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)no1 ZINC000432768358 859349264 /nfs/dbraw/zinc/34/92/64/859349264.db2.gz KSZQRBFWPCIBNJ-QFIPXVFZSA-N 0 0 403.442 4.489 20 30 HIEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)c2ccccc2S1 ZINC000432771158 859351976 /nfs/dbraw/zinc/35/19/76/859351976.db2.gz JOHZZXFWDMOOLL-LLVKDONJSA-N 0 0 409.330 4.010 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(CCO)CCCC2)cc1 ZINC000467605365 881411563 /nfs/dbraw/zinc/41/15/63/881411563.db2.gz JUCNNBFBEYOBIF-UHFFFAOYSA-N 0 0 407.514 4.396 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](O)C34CCCC4)cc2F)c1 ZINC000432792381 859362285 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CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)n1 ZINC000467610548 881417678 /nfs/dbraw/zinc/41/76/78/881417678.db2.gz KUZBIUQGVLTSRN-HNNXBMFYSA-N 0 0 415.494 4.126 20 30 HIEDRN CSC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000432912193 859425781 /nfs/dbraw/zinc/42/57/81/859425781.db2.gz AVLOMLHTUCHCCE-KRWDZBQOSA-N 0 0 408.527 4.417 20 30 HIEDRN C[C@@]12CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C[C@@H]1C2(F)F ZINC000432912441 859426991 /nfs/dbraw/zinc/42/69/91/859426991.db2.gz BNBXISUWTUXZTK-GHTZIAJQSA-N 0 0 410.424 4.320 20 30 HIEDRN N#Cc1cc2c(nc1N1CCN(C(=O)c3cc4ccccc4s3)CC1)CCCC2 ZINC000432922284 859432239 /nfs/dbraw/zinc/43/22/39/859432239.db2.gz LNPDNNFVLPBOQW-UHFFFAOYSA-N 0 0 402.523 4.009 20 30 HIEDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000432933366 859436420 /nfs/dbraw/zinc/43/64/20/859436420.db2.gz UIPHTMSRRYZBKO-GJZGRUSLSA-N 0 0 420.531 4.268 20 30 HIEDRN CCN(Cc1ccc(Br)cc1CN(CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000432940513 859439117 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N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)s1 ZINC000435422398 860794658 /nfs/dbraw/zinc/79/46/58/860794658.db2.gz LWXILQPVEGUTOI-KRWDZBQOSA-N 0 0 416.503 4.065 20 30 HIEDRN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435421098 860794905 /nfs/dbraw/zinc/79/49/05/860794905.db2.gz HMZUTRFQQTWBCW-XHDPSFHLSA-N 0 0 400.447 4.410 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 ZINC000435441059 860800011 /nfs/dbraw/zinc/80/00/11/860800011.db2.gz CMSSKBZMDDZYGG-UHFFFAOYSA-N 0 0 404.470 4.167 20 30 HIEDRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435443486 860800635 /nfs/dbraw/zinc/80/06/35/860800635.db2.gz ONKSYLZOLKXEQL-UHFFFAOYSA-N 0 0 412.536 4.062 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000435453954 860803978 /nfs/dbraw/zinc/80/39/78/860803978.db2.gz OINGAPQUGAKHGK-NRFANRHFSA-N 0 0 408.841 4.404 20 30 HIEDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435485733 860816738 /nfs/dbraw/zinc/81/67/38/860816738.db2.gz BZDVDIVNWLQYAN-HNNXBMFYSA-N 0 0 405.454 4.216 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1C#N ZINC000435485911 860816928 /nfs/dbraw/zinc/81/69/28/860816928.db2.gz CUAHRWSFNRPVFG-NRFANRHFSA-N 0 0 409.461 4.081 20 30 HIEDRN CCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC000435496406 860822034 /nfs/dbraw/zinc/82/20/34/860822034.db2.gz RZPVKGFUMUAGOH-NRFANRHFSA-N 0 0 405.498 4.210 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000435524673 860841057 /nfs/dbraw/zinc/84/10/57/860841057.db2.gz GDBSQCVWOFIEDM-ZDUSSCGKSA-N 0 0 419.403 4.180 20 30 HIEDRN CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C(C)C)cc1 ZINC000435528287 860845029 /nfs/dbraw/zinc/84/50/29/860845029.db2.gz BNDNDOHOAOYZKY-QFIPXVFZSA-N 0 0 407.514 4.360 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)cc1C#N ZINC000435539081 860852455 /nfs/dbraw/zinc/85/24/55/860852455.db2.gz CXAUZSKEJKAWPF-UHFFFAOYSA-N 0 0 401.470 4.370 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435542276 860856172 /nfs/dbraw/zinc/85/61/72/860856172.db2.gz OXCWEDHNGPIVOK-UHFFFAOYSA-N 0 0 403.486 4.470 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cc1C#N ZINC000435546016 860861383 /nfs/dbraw/zinc/86/13/83/860861383.db2.gz OCCJGZNLRFINTM-GOSISDBHSA-N 0 0 402.445 4.048 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2cnn(-c3ccccc3F)c2C)cc(OC)c1OC ZINC000435547951 860862660 /nfs/dbraw/zinc/86/26/60/860862660.db2.gz LKNCVVBIQRCPOF-UHFFFAOYSA-N 0 0 424.476 4.387 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1C#N ZINC000435553339 860870494 /nfs/dbraw/zinc/87/04/94/860870494.db2.gz DQMZKCLCOADJTL-HXUWFJFHSA-N 0 0 401.413 4.229 20 30 HIEDRN COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000435552986 860870565 /nfs/dbraw/zinc/87/05/65/860870565.db2.gz ZDISBAHSQMEYAY-GOSISDBHSA-N 0 0 422.529 4.265 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)cc1C#N ZINC000435555666 860874447 /nfs/dbraw/zinc/87/44/47/860874447.db2.gz HSDYZIUECRRMPT-MRXNPFEDSA-N 0 0 406.486 4.355 20 30 HIEDRN C[C@H]1COCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000435556474 860876147 /nfs/dbraw/zinc/87/61/47/860876147.db2.gz MESCXBRILOXEFL-NHYWBVRUSA-N 0 0 409.433 4.235 20 30 HIEDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000435558618 860878466 /nfs/dbraw/zinc/87/84/66/860878466.db2.gz FTBBCGDXVZIXAH-MRXNPFEDSA-N 0 0 408.502 4.195 20 30 HIEDRN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435630281 860927061 /nfs/dbraw/zinc/92/70/61/860927061.db2.gz VYQBLYNPCMYJIB-HNNXBMFYSA-N 0 0 408.260 4.080 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000435651051 860934661 /nfs/dbraw/zinc/93/46/61/860934661.db2.gz OJIDIOBENFLDIT-NRFANRHFSA-N 0 0 423.394 4.014 20 30 HIEDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435654447 860937602 /nfs/dbraw/zinc/93/76/02/860937602.db2.gz JSAWJMHSHZNGID-KRWDZBQOSA-N 0 0 401.441 4.426 20 30 HIEDRN CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCC(CO)CC1 ZINC000435661959 860939651 /nfs/dbraw/zinc/93/96/51/860939651.db2.gz IHYQNIKOCPCCQG-UHFFFAOYSA-N 0 0 407.514 4.346 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)C ZINC000435664187 860942146 /nfs/dbraw/zinc/94/21/46/860942146.db2.gz QQBOOHXIDOEBAH-UHFFFAOYSA-N 0 0 408.502 4.181 20 30 HIEDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000435666765 860944791 /nfs/dbraw/zinc/94/47/91/860944791.db2.gz BREMCNDTNYWFHT-SFHVURJKSA-N 0 0 421.419 4.304 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cn2)cc1 ZINC000435690641 860971852 /nfs/dbraw/zinc/97/18/52/860971852.db2.gz BPEAICHSQHMSIT-UHFFFAOYSA-N 0 0 414.490 4.484 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1)c1ccccc1 ZINC000435729591 861011685 /nfs/dbraw/zinc/01/16/85/861011685.db2.gz DNVMJHFHZMKOLE-HXUWFJFHSA-N 0 0 420.538 4.334 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(OC)ccc1OC(F)F)c1ccccc1 ZINC000435735138 861017667 /nfs/dbraw/zinc/01/76/67/861017667.db2.gz JZRVBUYDVBHVNP-MRXNPFEDSA-N 0 0 404.413 4.059 20 30 HIEDRN Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)ccc1C#N ZINC000435734928 861017765 /nfs/dbraw/zinc/01/77/65/861017765.db2.gz YZUVOJZAZNSHNK-HHHXNRCGSA-N 0 0 416.568 4.249 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1)c1ccccc1 ZINC000435743341 861023804 /nfs/dbraw/zinc/02/38/04/861023804.db2.gz ZZAOXUCMIQHBEF-NRFANRHFSA-N 0 0 400.482 4.214 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C)c1ccccc1 ZINC000435745591 861025063 /nfs/dbraw/zinc/02/50/63/861025063.db2.gz OEQGHHWUROZWKT-HXUWFJFHSA-N 0 0 405.498 4.106 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccccc1 ZINC000435747439 861027043 /nfs/dbraw/zinc/02/70/43/861027043.db2.gz ICAVMDACHLKEDW-FQEVSTJZSA-N 0 0 415.497 4.111 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccccc1 ZINC000435747440 861027592 /nfs/dbraw/zinc/02/75/92/861027592.db2.gz ICAVMDACHLKEDW-HXUWFJFHSA-N 0 0 415.497 4.111 20 30 HIEDRN CCc1nnc(N2CCC([C@H]3c4ccc(Cl)cc4NC3=O)CC2)c(C#N)c1CC ZINC000467788203 881609733 /nfs/dbraw/zinc/60/97/33/881609733.db2.gz PFCNKUZWNWOZDR-FQEVSTJZSA-N 0 0 409.921 4.079 20 30 HIEDRN COc1cc(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1Cl ZINC000435810350 861077387 /nfs/dbraw/zinc/07/73/87/861077387.db2.gz SMRTUBOSPOHAOM-INIZCTEOSA-N 0 0 407.695 4.425 20 30 HIEDRN CO[C@@H](C)c1nc(CN2CCCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cs1 ZINC000467789007 881611585 /nfs/dbraw/zinc/61/15/85/881611585.db2.gz OVFBEGDRDMXVQM-AWEZNQCLSA-N 0 0 424.492 4.453 20 30 HIEDRN Cc1cc(I)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000435823867 861088051 /nfs/dbraw/zinc/08/80/51/861088051.db2.gz BEVWSRWWPXFKGZ-UHFFFAOYSA-N 0 0 402.235 4.142 20 30 HIEDRN COc1ccc(-c2ncc(C(=O)N[C@](C)(C#N)CCc3ccccc3)s2)cc1OC ZINC000435901257 861159358 /nfs/dbraw/zinc/15/93/58/861159358.db2.gz GJTAXJRNPHUMLV-QHCPKHFHSA-N 0 0 421.522 4.472 20 30 HIEDRN CCc1nnc(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c(C#N)c1CC ZINC000467794419 881619600 /nfs/dbraw/zinc/61/96/00/881619600.db2.gz HJAMLPOYMGITDI-UHFFFAOYSA-N 0 0 423.524 4.392 20 30 HIEDRN CCc1nnc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(C#N)c1CC ZINC000467797521 881620788 /nfs/dbraw/zinc/62/07/88/881620788.db2.gz UQODUWLUNKHGEP-UHFFFAOYSA-N 0 0 416.529 4.205 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NCCOc3ncccc3F)cc2F)c1 ZINC000437746441 863070648 /nfs/dbraw/zinc/07/06/48/863070648.db2.gz IKBFUAWCXLYING-UHFFFAOYSA-N 0 0 424.407 4.011 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000437790653 863108426 /nfs/dbraw/zinc/10/84/26/863108426.db2.gz VVJMPSWGSYKBPL-IRXDYDNUSA-N 0 0 404.392 4.326 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000437790654 863110712 /nfs/dbraw/zinc/11/07/12/863110712.db2.gz VVJMPSWGSYKBPL-SJORKVTESA-N 0 0 404.392 4.326 20 30 HIEDRN C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](O)Cc1ccccc1 ZINC000437798540 863116617 /nfs/dbraw/zinc/11/66/17/863116617.db2.gz LAVRPQSUTFWBSD-GAJHUEQPSA-N 0 0 401.466 4.464 20 30 HIEDRN CC[C@]1(C)CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000437808543 863131541 /nfs/dbraw/zinc/13/15/41/863131541.db2.gz IIKPLTQZMUSBCV-LJQANCHMSA-N 0 0 401.561 4.746 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC)Oc1ccccc1C(F)(F)F ZINC000437809563 863133946 /nfs/dbraw/zinc/13/39/46/863133946.db2.gz ZZIMUSWLTCGYFH-DAYGRLMNSA-N 0 0 400.441 4.143 20 30 HIEDRN N#Cc1cccc(CNC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000467804696 881631004 /nfs/dbraw/zinc/63/10/04/881631004.db2.gz ICYSVLQQTNBEIM-LJQANCHMSA-N 0 0 402.523 4.287 20 30 HIEDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000437828353 863176247 /nfs/dbraw/zinc/17/62/47/863176247.db2.gz KOLFCTFTQBDCRN-UHFFFAOYSA-N 0 0 411.527 4.178 20 30 HIEDRN CN1C(=O)COc2ccc(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc21 ZINC000437837085 863190655 /nfs/dbraw/zinc/19/06/55/863190655.db2.gz FDDFJGDUTWKNGU-UHFFFAOYSA-N 0 0 414.421 4.350 20 30 HIEDRN CC(C)[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCS1 ZINC000437888522 863253939 /nfs/dbraw/zinc/25/39/39/863253939.db2.gz KZTCRCWKGGARSD-FQEVSTJZSA-N 0 0 408.527 4.416 20 30 HIEDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N(CCC#N)CCC(C)C ZINC000437888884 863254537 /nfs/dbraw/zinc/25/45/37/863254537.db2.gz JGEFCCJBLSVPKP-UHFFFAOYSA-N 0 0 402.539 4.104 20 30 HIEDRN O=C(NCC#Cc1ccccc1)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000467814140 881642556 /nfs/dbraw/zinc/64/25/56/881642556.db2.gz SMKARJKUQKMOOT-HXUWFJFHSA-N 0 0 401.535 4.267 20 30 HIEDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000437916367 863294022 /nfs/dbraw/zinc/29/40/22/863294022.db2.gz NUQQDANGEHQLDP-UHFFFAOYSA-N 0 0 416.485 4.118 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000437925341 863301058 /nfs/dbraw/zinc/30/10/58/863301058.db2.gz IOYFWARNRMIQFK-FCHUYYIVSA-N 0 0 402.498 4.226 20 30 HIEDRN C=CCC(CC=C)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000467820431 881648719 /nfs/dbraw/zinc/64/87/19/881648719.db2.gz FNKXIIPWFJAYCM-UHFFFAOYSA-N 0 0 405.336 4.395 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000437966431 863336996 /nfs/dbraw/zinc/33/69/96/863336996.db2.gz YDBWGQUCGJUMGT-FQEVSTJZSA-N 0 0 402.420 4.276 20 30 HIEDRN C[C@]1(CO)CCC[C@@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437965959 863337069 /nfs/dbraw/zinc/33/70/69/863337069.db2.gz WTVKQHGAUIFXNV-RBBKRZOGSA-N 0 0 413.905 4.463 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(F)c3)CC2)c1 ZINC000437973780 863342075 /nfs/dbraw/zinc/34/20/75/863342075.db2.gz GQZBECSDTQMDHG-GHTZIAJQSA-N 0 0 413.880 4.460 20 30 HIEDRN COC(=O)[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)CC(C)C ZINC000437975239 863344236 /nfs/dbraw/zinc/34/42/36/863344236.db2.gz YIIYNIRSNUTIDU-HXUWFJFHSA-N 0 0 423.513 4.403 20 30 HIEDRN C[C@H](c1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1)N1CCOCC1 ZINC000438009431 863368716 /nfs/dbraw/zinc/36/87/16/863368716.db2.gz IVARTWXQRWOTNS-FOVJLYNBSA-N 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C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(F)c(Br)cc2C)c1 ZINC000439378006 864809980 /nfs/dbraw/zinc/80/99/80/864809980.db2.gz WSNXXHGLJPMNHW-UHFFFAOYSA-N 0 0 421.266 4.429 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cccc4cnccc43)c2)cc1 ZINC000439391936 864815996 /nfs/dbraw/zinc/81/59/96/864815996.db2.gz HRTUFDRJFLVUMX-UHFFFAOYSA-N 0 0 408.417 4.476 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(F)c(F)c3F)c2)cc1 ZINC000439391593 864816491 /nfs/dbraw/zinc/81/64/91/864816491.db2.gz ZDQBYLANLGPFSJ-UHFFFAOYSA-N 0 0 411.339 4.345 20 30 HIEDRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392447 864816806 /nfs/dbraw/zinc/81/68/06/864816806.db2.gz AJNLVPCCTMSUNH-OPAMFIHVSA-N 0 0 409.509 4.165 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CS(=O)(=O)c4ccccc43)cc2)c1 ZINC000439395780 864817801 /nfs/dbraw/zinc/81/78/01/864817801.db2.gz KBYJFXUYJAYAKL-FQEVSTJZSA-N 0 0 419.462 4.001 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1 ZINC000439398964 864818370 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415.559 4.374 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)NCc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000439498800 864854254 /nfs/dbraw/zinc/85/42/54/864854254.db2.gz ZXECONBRRUHILH-UHFFFAOYSA-N 0 0 415.921 4.453 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C#N ZINC000439519437 864861085 /nfs/dbraw/zinc/86/10/85/864861085.db2.gz JGMTYKGJXFJUPF-UHFFFAOYSA-N 0 0 424.460 4.203 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@H](CO)c1cccc(Cl)c1F ZINC000439534237 864868460 /nfs/dbraw/zinc/86/84/60/864868460.db2.gz ZPELBVCAYRYKAJ-HXUWFJFHSA-N 0 0 409.848 4.129 20 30 HIEDRN Cc1cc(F)cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 ZINC000439536942 864869288 /nfs/dbraw/zinc/86/92/88/864869288.db2.gz OZQZRTUJYFORIV-UHFFFAOYSA-N 0 0 417.440 4.470 20 30 HIEDRN CSCCc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000439542181 864870936 /nfs/dbraw/zinc/87/09/36/864870936.db2.gz NXFSMVZPWZXGPH-HNNXBMFYSA-N 0 0 413.568 4.421 20 30 HIEDRN CC(=O)Nc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl ZINC000439548986 864875828 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N#CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000439652990 864979776 /nfs/dbraw/zinc/97/97/76/864979776.db2.gz JJQLMEXQWANTFX-JOCHJYFZSA-N 0 0 415.493 4.390 20 30 HIEDRN Cc1nc(SCC(=O)NCc2cccc(-c3ccccn3)c2)c(C#N)c(C)c1C ZINC000439656489 864982504 /nfs/dbraw/zinc/98/25/04/864982504.db2.gz RZGYFQLQFDXBGZ-UHFFFAOYSA-N 0 0 402.523 4.349 20 30 HIEDRN N#CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)c1ccccc1 ZINC000439656514 864983827 /nfs/dbraw/zinc/98/38/27/864983827.db2.gz SFQQDCHUUUPIPZ-QGZVFWFLSA-N 0 0 415.946 4.415 20 30 HIEDRN N#CCC[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1ccccc1 ZINC000439659432 864987687 /nfs/dbraw/zinc/98/76/87/864987687.db2.gz FUPVOUKIXOFTLL-QHCPKHFHSA-N 0 0 418.518 4.435 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cnn1-c1cccc(C#N)c1 ZINC000439660747 864988876 /nfs/dbraw/zinc/98/88/76/864988876.db2.gz CMZKKIPKTCOYDM-OAHLLOKOSA-N 0 0 417.469 4.308 20 30 HIEDRN Cc1c(I)cccc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439661588 864990029 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Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](CCC#N)c3ccccc3)C2)c1 ZINC000439673331 865005860 /nfs/dbraw/zinc/00/58/60/865005860.db2.gz MNHOCJSPXAYJJX-IFMALSPDSA-N 0 0 404.514 4.400 20 30 HIEDRN N#CCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000439673689 865007346 /nfs/dbraw/zinc/00/73/46/865007346.db2.gz NQYKJURVAUVREJ-NRFANRHFSA-N 0 0 405.885 4.325 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 ZINC000439678099 865012036 /nfs/dbraw/zinc/01/20/36/865012036.db2.gz MGGWKFAKMNBWJU-HXUWFJFHSA-N 0 0 406.436 4.414 20 30 HIEDRN CCCc1c(NC(=O)NCc2ccc(OC)cc2F)cnn1-c1cccc(C#N)c1 ZINC000439682011 865017274 /nfs/dbraw/zinc/01/72/74/865017274.db2.gz CVZQNZAWOYBGBR-UHFFFAOYSA-N 0 0 407.449 4.166 20 30 HIEDRN CCCc1c(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439685311 865021225 /nfs/dbraw/zinc/02/12/25/865021225.db2.gz OFTAIYGLQOKDLO-SFHVURJKSA-N 0 0 407.518 4.310 20 30 HIEDRN CCCc1c(NC(=O)NCc2csc([C@H](C)OC)n2)cnn1-c1cccc(C#N)c1 ZINC000439686944 865022565 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HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000439883510 865195126 /nfs/dbraw/zinc/19/51/26/865195126.db2.gz PDAHCJNNBKBQAK-ZDUSSCGKSA-N 0 0 408.424 4.202 20 30 HIEDRN N#Cc1ccnc(N2CCN(C(=O)CC(Cc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000439884130 865196395 /nfs/dbraw/zinc/19/63/95/865196395.db2.gz WOUYLTKYCGLTPP-UHFFFAOYSA-N 0 0 424.548 4.094 20 30 HIEDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)cc1 ZINC000439927401 865230513 /nfs/dbraw/zinc/23/05/13/865230513.db2.gz UATQIKAXHHFJJM-UHFFFAOYSA-N 0 0 404.491 4.117 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN(CCc3ccccn3)Cc3ccc(F)cc3)o2)c1 ZINC000439963755 865256260 /nfs/dbraw/zinc/25/62/60/865256260.db2.gz NOEINZUPQMMTML-UHFFFAOYSA-N 0 0 413.456 4.387 20 30 HIEDRN COCCc1nc2cc(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)ccc2o1 ZINC000439983251 865283850 /nfs/dbraw/zinc/28/38/50/865283850.db2.gz MFLDBHRUFQEOOF-UHFFFAOYSA-N 0 0 417.421 4.313 20 30 HIEDRN CC(C)C1(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000439993525 865301751 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CCCc1c(NC(=O)c2cnn(C)c2-c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440091501 865352551 /nfs/dbraw/zinc/35/25/51/865352551.db2.gz XGJQYXSOJUIYKM-UHFFFAOYSA-N 0 0 410.481 4.349 20 30 HIEDRN CCCc1c(NC(=O)c2cnn(CCC(C)C)c2C)cnn1-c1cccc(C#N)c1 ZINC000440094803 865355525 /nfs/dbraw/zinc/35/55/25/865355525.db2.gz JYKMFYGIPNWVRL-UHFFFAOYSA-N 0 0 404.518 4.500 20 30 HIEDRN CCCc1c(NC(=O)CSc2cccc(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440109507 865365951 /nfs/dbraw/zinc/36/59/51/865365951.db2.gz XGNSAFYMCNWXLX-UHFFFAOYSA-N 0 0 406.511 4.436 20 30 HIEDRN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000440117429 865368512 /nfs/dbraw/zinc/36/85/12/865368512.db2.gz IOXGYDKXEMZXLQ-CHWSQXEVSA-N 0 0 413.465 4.202 20 30 HIEDRN N#Cc1cccc(CCNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000440135360 865375537 /nfs/dbraw/zinc/37/55/37/865375537.db2.gz NHSYQVGHNAIMKV-UHFFFAOYSA-N 0 0 401.491 4.007 20 30 HIEDRN C[C@@H](CSCc1ccccc1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000440146380 865378903 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CCCC(=O)NC[C@@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440645523 865855680 /nfs/dbraw/zinc/85/56/80/865855680.db2.gz QUNONYPMBQOVDA-AWEZNQCLSA-N 0 0 415.335 4.002 20 30 HIEDRN N#CC1CCC(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000440651726 865856759 /nfs/dbraw/zinc/85/67/59/865856759.db2.gz WEIUTGFHPHTHRN-UHFFFAOYSA-N 0 0 414.487 4.137 20 30 HIEDRN COc1ccc2c(c1OC)CCN(c1c(C#N)cnc3c(Br)cccc31)C2 ZINC000440667919 865860974 /nfs/dbraw/zinc/86/09/74/865860974.db2.gz JNGAAZXFSDMTPC-UHFFFAOYSA-N 0 0 424.298 4.449 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCN(Cc2cccs2)CC1 ZINC000440671296 865861315 /nfs/dbraw/zinc/86/13/15/865861315.db2.gz VVLGTZMMEVFZBZ-UHFFFAOYSA-N 0 0 413.344 4.253 20 30 HIEDRN CN(C)C(=O)c1cccc(CNc2c(C#N)cnc3c(Br)cccc32)c1 ZINC000440674573 865862309 /nfs/dbraw/zinc/86/23/09/865862309.db2.gz GIXKHMSXJLIOJS-UHFFFAOYSA-N 0 0 409.287 4.183 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2nc(COC)sc2-c2ccccc2)cc1 ZINC000440685180 865865071 /nfs/dbraw/zinc/86/50/71/865865071.db2.gz XBCATOHXBXXGFZ-UHFFFAOYSA-N 0 0 407.495 4.125 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)C3(c4cc(F)cc(C(F)(F)F)c4)CC3)CCO2)c1 ZINC000440728798 865877888 /nfs/dbraw/zinc/87/78/88/865877888.db2.gz BJFWCXGRWOFMKC-IBGZPJMESA-N 0 0 418.390 4.348 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000440746596 865885951 /nfs/dbraw/zinc/88/59/51/865885951.db2.gz KBGAYXIDJKAQIY-GOSISDBHSA-N 0 0 401.388 4.269 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000440745542 865886029 /nfs/dbraw/zinc/88/60/29/865886029.db2.gz GJLGLRYDHDBXAF-SFHVURJKSA-N 0 0 419.378 4.408 20 30 HIEDRN CC(=O)c1ccc(OCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c([N+](=O)[O-])c1 ZINC000440827603 865943551 /nfs/dbraw/zinc/94/35/51/865943551.db2.gz YTSRRCLDUBOURS-ZDUSSCGKSA-N 0 0 413.455 4.067 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000440879578 865975683 /nfs/dbraw/zinc/97/56/83/865975683.db2.gz KAPHWBPPCZZIRH-LBPRGKRZSA-N 0 0 409.353 4.048 20 30 HIEDRN C[S@@](=O)C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000440930361 866026271 /nfs/dbraw/zinc/02/62/71/866026271.db2.gz UEMHKDMXZCEQSY-XGCWNURASA-N 0 0 401.919 4.028 20 30 HIEDRN CC(C)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000440944852 866040713 /nfs/dbraw/zinc/04/07/13/866040713.db2.gz NDDOOFZUKGYTNB-SFHVURJKSA-N 0 0 406.486 4.111 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)ccc1F ZINC000440971415 866057352 /nfs/dbraw/zinc/05/73/52/866057352.db2.gz ZIQNZBOXNJRHMK-SFHVURJKSA-N 0 0 419.378 4.408 20 30 HIEDRN Cc1nc2cc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)ccc2n1-c1ccccc1 ZINC000468113080 881935100 /nfs/dbraw/zinc/93/51/00/881935100.db2.gz IKMIYZPAXRBFCE-UKILVPOCSA-N 0 0 414.509 4.401 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000440982327 866064829 /nfs/dbraw/zinc/06/48/29/866064829.db2.gz APBFOCLCNQCUMS-UABWJHLCSA-N 0 0 404.505 4.118 20 30 HIEDRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000468113760 881936787 /nfs/dbraw/zinc/93/67/87/881936787.db2.gz RHOARAQOMQIMSS-XFQXTVEOSA-N 0 0 405.336 4.082 20 30 HIEDRN N#C[C@H]1N(C(=O)CCSc2ccc(Br)cc2)CCC[C@]12CCCCO2 ZINC000468113334 881937000 /nfs/dbraw/zinc/93/70/00/881937000.db2.gz LPNIWFKJBPFIFA-IEBWSBKVSA-N 0 0 423.376 4.385 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCSc2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000468113333 881937261 /nfs/dbraw/zinc/93/72/61/881937261.db2.gz LPNIWFKJBPFIFA-HKUYNNGSSA-N 0 0 423.376 4.385 20 30 HIEDRN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1C ZINC000441007812 866079394 /nfs/dbraw/zinc/07/93/94/866079394.db2.gz DDTFDEBETYIOBR-QFIPXVFZSA-N 0 0 405.498 4.288 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)nnc1-c1ccco1 ZINC000468114127 881937296 /nfs/dbraw/zinc/93/72/96/881937296.db2.gz AHNGCRYGQMHUBL-CQSZACIVSA-N 0 0 420.498 4.234 20 30 HIEDRN CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441020423 866085913 /nfs/dbraw/zinc/08/59/13/866085913.db2.gz NOTSVTFTDJVUND-UHFFFAOYSA-N 0 0 407.905 4.109 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869070623 /nfs/dbraw/zinc/07/06/23/869070623.db2.gz NXMMOOKZZNPZNI-UHFFFAOYSA-N 0 0 405.259 4.062 20 30 HIEDRN C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CCCC1(C)C ZINC000444907486 869094986 /nfs/dbraw/zinc/09/49/86/869094986.db2.gz VJTPCCIXQASXIJ-ICSRJNTNSA-N 0 0 420.575 4.238 20 30 HIEDRN CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000444910965 869097404 /nfs/dbraw/zinc/09/74/04/869097404.db2.gz GXMQDJLORAUSID-KRWDZBQOSA-N 0 0 421.419 4.259 20 30 HIEDRN C=CC[C@@H]1N(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CCCC1(C)C ZINC000444917325 869102485 /nfs/dbraw/zinc/10/24/85/869102485.db2.gz DXACPJUZNLCFQC-HNNXBMFYSA-N 0 0 407.440 4.885 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3OCC(F)F)CC2)c(Cl)c1 ZINC000444921451 869106143 /nfs/dbraw/zinc/10/61/43/869106143.db2.gz MIOBDJSFHRBURF-UHFFFAOYSA-N 0 0 420.847 4.210 20 30 HIEDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000468333238 882265680 /nfs/dbraw/zinc/26/56/80/882265680.db2.gz XFDJBJOHLLKYGM-YOEHRIQHSA-N 0 0 412.431 4.039 20 30 HIEDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000468333235 882265832 /nfs/dbraw/zinc/26/58/32/882265832.db2.gz XFDJBJOHLLKYGM-PBHICJAKSA-N 0 0 412.431 4.039 20 30 HIEDRN C=CC[C@H]1N(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CCCC1(C)C ZINC000444974910 869136806 /nfs/dbraw/zinc/13/68/06/869136806.db2.gz OBUAQYZOXTXNGV-JOCHJYFZSA-N 0 0 411.590 4.387 20 30 HIEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000468333402 882266895 /nfs/dbraw/zinc/26/68/95/882266895.db2.gz YBEALOYCDROJOT-CYBMUJFWSA-N 0 0 408.907 4.387 20 30 HIEDRN CSCc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000445107259 869221585 /nfs/dbraw/zinc/22/15/85/869221585.db2.gz FTMIDSQENSGBBT-UHFFFAOYSA-N 0 0 400.935 4.429 20 30 HIEDRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000468341807 882276303 /nfs/dbraw/zinc/27/63/03/882276303.db2.gz WLWKIEUWVHCBGO-NSHDSACASA-N 0 0 415.298 4.080 20 30 HIEDRN C=C(C)CNC(=O)C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 ZINC000445141228 869240001 /nfs/dbraw/zinc/24/00/01/869240001.db2.gz ULNRACBWNVBFMJ-UHFFFAOYSA-N 0 0 401.875 4.373 20 30 HIEDRN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000445183616 869265216 /nfs/dbraw/zinc/26/52/16/869265216.db2.gz DOBSMHBVKYKOOX-CABCVRRESA-N 0 0 407.461 4.209 20 30 HIEDRN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468349545 882286561 /nfs/dbraw/zinc/28/65/61/882286561.db2.gz OEYSAYBLNIDEPQ-UHFFFAOYSA-N 0 0 417.918 4.032 20 30 HIEDRN Cn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000445236103 869292253 /nfs/dbraw/zinc/29/22/53/869292253.db2.gz GNKYVQNQJLOFQH-SFHVURJKSA-N 0 0 401.470 4.496 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N(C[C@@H](O)COc1ccccc1)C(C)C ZINC000445239132 869294514 /nfs/dbraw/zinc/29/45/14/869294514.db2.gz KUFKFLFPKJOSSX-LJQANCHMSA-N 0 0 411.502 4.028 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000445241615 869297234 /nfs/dbraw/zinc/29/72/34/869297234.db2.gz QPXKRZCIBBICSM-UHFFFAOYSA-N 0 0 423.904 4.225 20 30 HIEDRN N#C[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000445250770 869305215 /nfs/dbraw/zinc/30/52/15/869305215.db2.gz GXKNECXEXUHQQT-QGZVFWFLSA-N 0 0 403.251 4.322 20 30 HIEDRN C=CC[C@@H]1N(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)CCCC1(C)C ZINC000445258375 869310792 /nfs/dbraw/zinc/31/07/92/869310792.db2.gz AKWXIZREGCHGOR-FPOVZHCZSA-N 0 0 415.578 4.381 20 30 HIEDRN C=CCOc1ccc(/C=C/c2nc(CC(=O)N[C@H](C)c3ccccc3)no2)cc1OC ZINC000445289908 869341259 /nfs/dbraw/zinc/34/12/59/869341259.db2.gz AFUPPLZTSFEYMK-MLFXKNMZSA-N 0 0 419.481 4.233 20 30 HIEDRN Cc1cccc(NC(=O)Cc2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)c1 ZINC000445326222 869385220 /nfs/dbraw/zinc/38/52/20/869385220.db2.gz YUIVCDKIPLGRSZ-UHFFFAOYSA-N 0 0 414.421 4.270 20 30 HIEDRN C=CCNC(=O)Cc1noc([C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000445330042 869390467 /nfs/dbraw/zinc/39/04/67/869390467.db2.gz HELAFNFXSSQJNJ-LBPRGKRZSA-N 0 0 418.906 4.217 20 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/nfs/dbraw/zinc/61/45/19/869614519.db2.gz NAJZKLQRLVHHAN-UHFFFAOYSA-N 0 0 419.510 4.313 20 30 HIEDRN COc1cccc(CO[C@@H](C)C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000445559008 869615857 /nfs/dbraw/zinc/61/58/57/869615857.db2.gz PSAKSHFZADNUAK-HNNXBMFYSA-N 0 0 422.510 4.018 20 30 HIEDRN C=CCn1c(SCc2ccc(C)c(Br)c2)nnc1-c1cnccn1 ZINC000445559810 869616129 /nfs/dbraw/zinc/61/61/29/869616129.db2.gz DSYWTJHRPMGFET-UHFFFAOYSA-N 0 0 402.321 4.284 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2cnc(-c3ccncc3)s2)c1C#N ZINC000445560893 869617673 /nfs/dbraw/zinc/61/76/73/869617673.db2.gz IYMZVPRWDOWQLF-UHFFFAOYSA-N 0 0 418.507 4.237 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1C#N ZINC000445562234 869619342 /nfs/dbraw/zinc/61/93/42/869619342.db2.gz AWAZDNSAQOXBPY-JKSUJKDBSA-N 0 0 410.449 4.486 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c1C#N ZINC000445563306 869620426 /nfs/dbraw/zinc/62/04/26/869620426.db2.gz APTVUGXJNZDIPV-GOSISDBHSA-N 0 0 404.495 4.197 20 30 HIEDRN COCCCOc1cccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000445564400 869621657 /nfs/dbraw/zinc/62/16/57/869621657.db2.gz PMZORZIQBLTYJZ-UHFFFAOYSA-N 0 0 422.510 4.133 20 30 HIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C ZINC000445566270 869624702 /nfs/dbraw/zinc/62/47/02/869624702.db2.gz XFZDRZSJXIBWGC-QHCPKHFHSA-N 0 0 412.555 4.422 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(-c2ccco2)cc1F ZINC000468381005 882325771 /nfs/dbraw/zinc/32/57/71/882325771.db2.gz BAASEZYNQIBISJ-UHFFFAOYSA-N 0 0 408.429 4.441 20 30 HIEDRN Fc1cc(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)cc(C(F)(F)F)c1 ZINC000445740763 869793319 /nfs/dbraw/zinc/79/33/19/869793319.db2.gz KGTDWNSSERUMDI-UHFFFAOYSA-N 0 0 408.233 4.293 20 30 HIEDRN C[C@@H](NC(=O)Cc1noc(-c2ccc(C#N)s2)n1)c1ccc(Cl)cc1Cl ZINC000445762102 869807385 /nfs/dbraw/zinc/80/73/85/869807385.db2.gz VYXFEIBQXMGRQV-SECBINFHSA-N 0 0 407.282 4.396 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2cccc(COc3ccccc3)c2)c1 ZINC000445777616 869819214 /nfs/dbraw/zinc/81/92/14/869819214.db2.gz ZJZKHPDGLHMELQ-UHFFFAOYSA-N 0 0 416.477 4.085 20 30 HIEDRN Fc1c(-c2nc(-c3cnc(OCC(F)(F)F)cn3)no2)cccc1C(F)(F)F ZINC000445781121 869820122 /nfs/dbraw/zinc/82/01/22/869820122.db2.gz ATHGKKFBTQYPBF-UHFFFAOYSA-N 0 0 408.233 4.293 20 30 HIEDRN CCCCS(=O)(=O)Cc1noc(-c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000445829508 869848993 /nfs/dbraw/zinc/84/89/93/869848993.db2.gz HXZOZZPRVSFKEE-UHFFFAOYSA-N 0 0 411.483 4.424 20 30 HIEDRN Cc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000468404453 882347225 /nfs/dbraw/zinc/34/72/25/882347225.db2.gz DDYQSINSMXEROD-DNVJHFABSA-N 0 0 419.525 4.144 20 30 HIEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000445919213 869888189 /nfs/dbraw/zinc/88/81/89/869888189.db2.gz HZGSJLSUUIBJRR-UHFFFAOYSA-N 0 0 417.868 4.095 20 30 HIEDRN CC(C)Oc1ccc(N2C(=O)N[C@H](C[C@@H]3CCCc4ccccc43)C2=O)cc1C#N ZINC000445934099 869895864 /nfs/dbraw/zinc/89/58/64/869895864.db2.gz GAGKKDBDQFKPDA-LAUBAEHRSA-N 0 0 403.482 4.280 20 30 HIEDRN N#Cc1cc(F)c(C(=O)N2CCOc3cc(Br)c(Cl)cc32)c(F)c1 ZINC000445957537 869924780 /nfs/dbraw/zinc/92/47/80/869924780.db2.gz REYZHBMLHKKIRC-UHFFFAOYSA-N 0 0 413.605 4.292 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(OCC(F)(F)F)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000445958356 869925604 /nfs/dbraw/zinc/92/56/04/869925604.db2.gz VZTFCGLBPVEDLG-SFHVURJKSA-N 0 0 404.388 4.194 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(C[S@](=O)C(C)(C)C)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000445965057 869933502 /nfs/dbraw/zinc/93/35/02/869933502.db2.gz GWIWFPVMAMSJQW-JRPXNJEYSA-N 0 0 424.566 4.300 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(N3CCC(C)CC3)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000445970481 869939026 /nfs/dbraw/zinc/93/90/26/869939026.db2.gz DRQRURDTKCLPLL-QHCPKHFHSA-N 0 0 403.526 4.489 20 30 HIEDRN CCCN1C(=O)N(c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C(=O)[C@@H]1COC ZINC000445987725 869951481 /nfs/dbraw/zinc/95/14/81/869951481.db2.gz HZFQKHJKBSDQCX-SFHVURJKSA-N 0 0 413.861 4.198 20 30 HIEDRN COc1ccc([C@@H]2NC(=O)N(c3ccc(Oc4ccccc4C#N)cc3)C2=O)cc1F ZINC000445991939 869954485 /nfs/dbraw/zinc/95/44/85/869954485.db2.gz NQJNYJIVEFJSPB-NRFANRHFSA-N 0 0 417.396 4.296 20 30 HIEDRN COc1ccc([C@H]2NC(=O)N(c3ccc(Oc4ccccc4C#N)cc3)C2=O)cc1F ZINC000445991940 869954769 /nfs/dbraw/zinc/95/47/69/869954769.db2.gz NQJNYJIVEFJSPB-OAQYLSRUSA-N 0 0 417.396 4.296 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@H](c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000445992793 869956194 /nfs/dbraw/zinc/95/61/94/869956194.db2.gz RBDMMZSJVRXGPV-JOCHJYFZSA-N 0 0 411.417 4.083 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N2C(=O)N[C@@H](c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000445992895 869956368 /nfs/dbraw/zinc/95/63/68/869956368.db2.gz RBDMMZSJVRXGPV-QFIPXVFZSA-N 0 0 411.417 4.083 20 30 HIEDRN COc1ccc([C@@H]2NC(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C2=O)cc1F ZINC000445994527 869957603 /nfs/dbraw/zinc/95/76/03/869957603.db2.gz WXADJZUVPOSSMI-NRFANRHFSA-N 0 0 417.396 4.296 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000446019086 869986606 /nfs/dbraw/zinc/98/66/06/869986606.db2.gz 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HIEDRN C=CCC[C@H](C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1)c1ccccc1 ZINC000447701556 871645120 /nfs/dbraw/zinc/64/51/20/871645120.db2.gz SSDXLORZCXNNTK-IBGZPJMESA-N 0 0 405.502 4.035 20 30 HIEDRN Cc1c(Cl)cnc(NCc2nc(-c3cccc(Br)c3)no2)c1C#N ZINC000447813596 871744848 /nfs/dbraw/zinc/74/48/48/871744848.db2.gz SMIXTVQUMQKSMN-UHFFFAOYSA-N 0 0 404.655 4.340 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)cc1Cl ZINC000447853062 871770478 /nfs/dbraw/zinc/77/04/78/871770478.db2.gz CYFIYOTUBACAJW-UHFFFAOYSA-N 0 0 406.294 4.024 20 30 HIEDRN CCCc1c(NCc2nnc(-c3cccc(C#N)c3)o2)cnn1-c1ccc(F)cc1 ZINC000447886121 871800553 /nfs/dbraw/zinc/80/05/53/871800553.db2.gz NNWJCPIWSYGCNR-UHFFFAOYSA-N 0 0 402.433 4.498 20 30 HIEDRN N#C[C@@H]1N(CC[S@](=O)c2cc(Cl)ccc2Cl)CCC[C@]12CCCCO2 ZINC000447902600 871809296 /nfs/dbraw/zinc/80/92/96/871809296.db2.gz FOTQJUKKJIRWHR-ATLLOTDBSA-N 0 0 401.359 4.028 20 30 HIEDRN N#C[C@@H]1N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCC[C@]12CCCCO2 ZINC000447910701 871810615 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HIEDRN N#Cc1ccc(CSc2nnc(NCc3cnc(-c4ccco4)s3)s2)cc1 ZINC000447964698 871826832 /nfs/dbraw/zinc/82/68/32/871826832.db2.gz QWMVRUVLFTWQAR-UHFFFAOYSA-N 0 0 411.537 5.031 20 30 HIEDRN C=CCOc1c(Br)cc(CNc2nnc(SCC)s2)cc1OC ZINC000447968158 871827892 /nfs/dbraw/zinc/82/78/92/871827892.db2.gz YEQULOOBRWZSDG-UHFFFAOYSA-N 0 0 416.366 4.598 20 30 HIEDRN C=CCCCNC(=O)Nc1cc(Br)ccc1I ZINC000448015046 871856773 /nfs/dbraw/zinc/85/67/73/871856773.db2.gz DYSOQDGMLYTDCW-UHFFFAOYSA-N 0 0 409.065 4.141 20 30 HIEDRN C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc(Oc3ccc(C#N)cc3)cc1)C[C@@H](C)O2 ZINC000448022021 871864216 /nfs/dbraw/zinc/86/42/16/871864216.db2.gz MBVPTGVUUYSXQN-SEPYTNNBSA-N 0 0 407.470 4.151 20 30 HIEDRN O=C1[C@@H](Nc2cccc(COCC(F)(F)C(F)F)c2)CCCN1CC(F)(F)F ZINC000448054783 871884588 /nfs/dbraw/zinc/88/45/88/871884588.db2.gz RVSZBQOIIQZQLL-ZDUSSCGKSA-N 0 0 416.337 4.069 20 30 HIEDRN CC(C)[C@@H]1C[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc21 ZINC000448066337 871891318 /nfs/dbraw/zinc/89/13/18/871891318.db2.gz DJNCAZQIIVNVQS-UWJYYQICSA-N 0 0 400.486 4.188 20 30 HIEDRN COc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)ccc1C(F)(F)F ZINC000448083508 871910711 /nfs/dbraw/zinc/91/07/11/871910711.db2.gz AKOAZEXHLFRTDK-UHFFFAOYSA-N 0 0 422.382 4.079 20 30 HIEDRN CS(=O)(=O)CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000448098822 871940709 /nfs/dbraw/zinc/94/07/09/871940709.db2.gz YBRPVGGVOXTLMH-MRXNPFEDSA-N 0 0 416.568 4.046 20 30 HIEDRN N#Cc1cccc(CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1 ZINC000448102784 871947668 /nfs/dbraw/zinc/94/76/68/871947668.db2.gz MKMJYJRBBLTAAL-LJQANCHMSA-N 0 0 413.319 4.107 20 30 HIEDRN COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(C#N)cc4F)nc3c2)cc1 ZINC000448109860 871958504 /nfs/dbraw/zinc/95/85/04/871958504.db2.gz WTAZRWPKVIBEIG-UHFFFAOYSA-N 0 0 422.441 4.050 20 30 HIEDRN C=CCOc1c(Br)cc(/C=C\c2ncncc2C(=O)OC)cc1OCC ZINC000448115932 871974541 /nfs/dbraw/zinc/97/45/41/871974541.db2.gz IVVVPXZOSRPHTC-SREVYHEPSA-N 0 0 419.275 4.160 20 30 HIEDRN Cc1cc(F)cc(-n2cc(C(=O)N(Cc3ccco3)c3ccccc3C#N)nn2)c1 ZINC000448148113 872026119 /nfs/dbraw/zinc/02/61/19/872026119.db2.gz PNLRALXBBDRXIS-UHFFFAOYSA-N 0 0 401.401 4.027 20 30 HIEDRN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000448179352 872055866 /nfs/dbraw/zinc/05/58/66/872055866.db2.gz PLLOLYIRUPDRAH-RBBKRZOGSA-N 0 0 407.514 4.023 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1OC ZINC000448207625 872103754 /nfs/dbraw/zinc/10/37/54/872103754.db2.gz ZOQUWLIZMZFYMY-QGZVFWFLSA-N 0 0 405.498 4.115 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000468546480 882586452 /nfs/dbraw/zinc/58/64/52/882586452.db2.gz CWOGYJXPRGTPEW-XFAGBWLFSA-N 0 0 406.482 4.068 20 30 HIEDRN CSc1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448255293 872179039 /nfs/dbraw/zinc/17/90/39/872179039.db2.gz JIWKFLJZOYEPDT-UHFFFAOYSA-N 0 0 401.451 4.373 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC000468546478 882587186 /nfs/dbraw/zinc/58/71/86/882587186.db2.gz CWOGYJXPRGTPEW-LLJLJFOGSA-N 0 0 406.482 4.068 20 30 HIEDRN N#C[C@H]1N(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCC[C@]12CCCCO2 ZINC000448262167 872187064 /nfs/dbraw/zinc/18/70/64/872187064.db2.gz VIQBMEDPWIHYPV-IEBWSBKVSA-N 0 0 406.317 4.001 20 30 HIEDRN CCOc1cc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc(Br)c1OC ZINC000448264598 872189673 /nfs/dbraw/zinc/18/96/73/872189673.db2.gz UALUMUSYRMEOMI-ICSRJNTNSA-N 0 0 423.351 4.284 20 30 HIEDRN O=C(Cc1ccc(F)cc1Br)N(CCC(F)(F)F)CC(F)(F)F ZINC000468547318 882589576 /nfs/dbraw/zinc/58/95/76/882589576.db2.gz IGTVEQGTKJAHTA-UHFFFAOYSA-N 0 0 410.127 4.474 20 30 HIEDRN CCOc1c(Br)cc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1OC ZINC000448274819 872196582 /nfs/dbraw/zinc/19/65/82/872196582.db2.gz DBLGYQDKNOPBQT-AZUAARDMSA-N 0 0 423.351 4.284 20 30 HIEDRN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)c2ccccc21 ZINC000448407784 872359739 /nfs/dbraw/zinc/35/97/39/872359739.db2.gz QNEDFPUTWAMJDP-IAGOWNOFSA-N 0 0 413.424 4.099 20 30 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C=C(C)Cn1c(-c2ccccn2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000460943663 873843155 /nfs/dbraw/zinc/84/31/55/873843155.db2.gz NOYNRIXRODLTAN-FQEVSTJZSA-N 0 0 419.529 4.110 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000460944034 873843622 /nfs/dbraw/zinc/84/36/22/873843622.db2.gz PGNMRNIBWUOGNJ-SFNQZPIRSA-N 0 0 412.559 4.167 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000460947217 873845947 /nfs/dbraw/zinc/84/59/47/873845947.db2.gz FNNIHBLGVVNZMG-SFHVURJKSA-N 0 0 417.513 4.078 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H]1CC(C)C ZINC000460951476 873849649 /nfs/dbraw/zinc/84/96/49/873849649.db2.gz KWTSPUWJYIOQET-KRWDZBQOSA-N 0 0 401.580 4.251 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC000460951916 873850478 /nfs/dbraw/zinc/85/04/78/873850478.db2.gz ZEOFYLSJNWHLAC-UHFFFAOYSA-N 0 0 421.451 4.146 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000460953264 873851550 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20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000460956631 873854407 /nfs/dbraw/zinc/85/44/07/873854407.db2.gz FOEFDOQWNXQMQJ-QGZVFWFLSA-N 0 0 422.529 4.311 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000460958643 873856095 /nfs/dbraw/zinc/85/60/95/873856095.db2.gz LERXHBXRZIRAJG-RBUKOAKNSA-N 0 0 414.550 4.178 20 30 HIEDRN C=C(C)Cn1c(N[C@H](C)[C@@H](OC)c2ccccc2Cl)nnc1[C@@H]1OCC[C@@H]1C ZINC000460962674 873859290 /nfs/dbraw/zinc/85/92/90/873859290.db2.gz LKBQTDVPTMUVED-OSGQAZFXSA-N 0 0 404.942 4.793 20 30 HIEDRN N#C[C@@H]1N(C(=O)Cc2cc(Cl)ccc2Br)CCC[C@]12CCCCO2 ZINC000468638179 882772853 /nfs/dbraw/zinc/77/28/53/882772853.db2.gz KZRCWXSTSODLLO-FUHWJXTLSA-N 0 0 411.727 4.099 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000460962907 873859716 /nfs/dbraw/zinc/85/97/16/873859716.db2.gz XEPNWCVPPYGHCJ-DYVFJYSZSA-N 0 0 411.333 4.446 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000460965376 873862782 /nfs/dbraw/zinc/86/27/82/873862782.db2.gz ZAZHQZUJGWPVSQ-SFHVURJKSA-N 0 0 405.550 4.365 20 30 HIEDRN CN(C(=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1)c1ccccc1 ZINC000468635915 882767713 /nfs/dbraw/zinc/76/77/13/882767713.db2.gz VCIPZBUCLJBTSI-RCZVLFRGSA-N 0 0 417.509 4.031 20 30 HIEDRN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000461025961 873891588 /nfs/dbraw/zinc/89/15/88/873891588.db2.gz SFTNFDTVEMNBJJ-UHFFFAOYSA-N 0 0 420.490 4.325 20 30 HIEDRN C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(I)c1 ZINC000468636506 882770935 /nfs/dbraw/zinc/77/09/35/882770935.db2.gz BWFPTLYXJSJMDR-LLVKDONJSA-N 0 0 408.264 4.282 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@@H]2CCCO2)c1 ZINC000461041678 873901403 /nfs/dbraw/zinc/90/14/03/873901403.db2.gz IFMWVTDFCHFWRF-QHCPKHFHSA-N 0 0 411.509 4.289 20 30 HIEDRN Cc1cc(Br)ccc1SCC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000468638040 882773864 /nfs/dbraw/zinc/77/38/64/882773864.db2.gz KUMILEMCVJGJRO-IEBWSBKVSA-N 0 0 423.376 4.304 20 30 HIEDRN CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1 ZINC000461056823 873932427 /nfs/dbraw/zinc/93/24/27/873932427.db2.gz ITFVGTFWNDPYPN-VAMGGRTRSA-N 0 0 411.575 4.106 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CCC[C@@]12CCCCO2 ZINC000468640353 882775065 /nfs/dbraw/zinc/77/50/65/882775065.db2.gz WUDPSPQZTSHOAT-KSSFIOAISA-N 0 0 415.342 4.472 20 30 HIEDRN C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461064259 873944610 /nfs/dbraw/zinc/94/46/10/873944610.db2.gz RKPJEEJLCWCLSN-LEOXJPRUSA-N 0 0 413.525 4.378 20 30 HIEDRN CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 ZINC000461067234 873951069 /nfs/dbraw/zinc/95/10/69/873951069.db2.gz OKLIHHUNRQMYMS-UXHICEINSA-N 0 0 411.575 4.108 20 30 HIEDRN N#C[C@H]1N(C(=O)CCCc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000468644786 882780164 /nfs/dbraw/zinc/78/01/64/882780164.db2.gz GQNMKODSMJCCOP-UYAOXDASSA-N 0 0 405.336 4.226 20 30 HIEDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)c2)no1 ZINC000468645362 882779487 /nfs/dbraw/zinc/77/94/87/882779487.db2.gz NFHQAPKAIRJNLA-NTKDMRAZSA-N 0 0 422.529 4.393 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCCc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000468644783 882779641 /nfs/dbraw/zinc/77/96/41/882779641.db2.gz GQNMKODSMJCCOP-AZUAARDMSA-N 0 0 405.336 4.226 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCO1 ZINC000461079393 873983935 /nfs/dbraw/zinc/98/39/35/873983935.db2.gz YISASSLKOVLWHV-LJQANCHMSA-N 0 0 423.473 4.126 20 30 HIEDRN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)c2)no1 ZINC000468645363 882780614 /nfs/dbraw/zinc/78/06/14/882780614.db2.gz NFHQAPKAIRJNLA-YADARESESA-N 0 0 422.529 4.393 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000461082146 873990724 /nfs/dbraw/zinc/99/07/24/873990724.db2.gz BXTTUQOTBHXQCJ-UHFFFAOYSA-N 0 0 400.891 4.128 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nn1C1CCCCC1 ZINC000461084793 873995203 /nfs/dbraw/zinc/99/52/03/873995203.db2.gz IZGZAGKKFVDBRO-UHFFFAOYSA-N 0 0 401.470 5.008 20 30 HIEDRN N#C[C@H]1N(C(=O)c2csc(-c3c(F)cccc3F)n2)CCC[C@@]12CCCCO2 ZINC000468646599 882782447 /nfs/dbraw/zinc/78/24/47/882782447.db2.gz FSOCLWBTWNPXLM-UZLBHIALSA-N 0 0 403.454 4.156 20 30 HIEDRN N#C[C@H]1N(C(=O)CCSc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000468647756 882784993 /nfs/dbraw/zinc/78/49/93/882784993.db2.gz LJDRAUKHYOOQAQ-IEBWSBKVSA-N 0 0 423.376 4.385 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO1 ZINC000461128325 874059651 /nfs/dbraw/zinc/05/96/51/874059651.db2.gz RTAHHDYVCAXNMX-GOEBONIOSA-N 0 0 408.955 4.216 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4[nH]c5ccccc5c4C3)n2C[C@@H]2CCCO2)cc1 ZINC000461136018 874074727 /nfs/dbraw/zinc/07/47/27/874074727.db2.gz ZUBUQPMDTVBHMX-IBGZPJMESA-N 0 0 424.508 4.040 20 30 HIEDRN C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)c2ccccc21 ZINC000461137139 874076944 /nfs/dbraw/zinc/07/69/44/874076944.db2.gz ABCACVISZVRYKD-XLIONFOSSA-N 0 0 415.497 4.163 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)ccc1NC(=O)c1cccs1 ZINC000468655203 882791780 /nfs/dbraw/zinc/79/17/80/882791780.db2.gz IGLHAUKZODWFDG-NZQKXSOJSA-N 0 0 423.538 4.376 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468654962 882792004 /nfs/dbraw/zinc/79/20/04/882792004.db2.gz FAMHWXISDGTBSR-NOZRDPDXSA-N 0 0 415.493 4.205 20 30 HIEDRN C=CCN(c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCO1)C1CC1 ZINC000461156789 874111669 /nfs/dbraw/zinc/11/16/69/874111669.db2.gz KRPXKHNUFHSEFX-QGZVFWFLSA-N 0 0 403.324 4.041 20 30 HIEDRN CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1 ZINC000461161147 874119417 /nfs/dbraw/zinc/11/94/17/874119417.db2.gz RQFNCRLOUQVECQ-VQTJNVASSA-N 0 0 411.575 4.108 20 30 HIEDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468661262 882796065 /nfs/dbraw/zinc/79/60/65/882796065.db2.gz KWHAUCDDFNKUBR-WIYYLYMNSA-N 0 0 403.910 4.002 20 30 HIEDRN Cc1cccc(-n2ccnc2SCC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1C ZINC000468660260 882796513 /nfs/dbraw/zinc/79/65/13/882796513.db2.gz HEQSAOHRDIXGDJ-NZQKXSOJSA-N 0 0 424.570 4.035 20 30 HIEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1)C1CCCC1 ZINC000461165768 874129130 /nfs/dbraw/zinc/12/91/30/874129130.db2.gz SHHOLOMFPNLQPW-JOCHJYFZSA-N 0 0 423.561 4.313 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(C)cc(C)c1Br ZINC000461169600 874136513 /nfs/dbraw/zinc/13/65/13/874136513.db2.gz UMZGZAKDYIXNCN-UHFFFAOYSA-N 0 0 403.276 4.215 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO1 ZINC000461170832 874141679 /nfs/dbraw/zinc/14/16/79/874141679.db2.gz VWLUHZMGLRTYNJ-QFIPXVFZSA-N 0 0 403.530 4.026 20 30 HIEDRN CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1 ZINC000468662328 882798591 /nfs/dbraw/zinc/79/85/91/882798591.db2.gz NULQHBLUSGCDJU-RDPSFJRHSA-N 0 0 411.546 4.058 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCCc2ccc(Br)s2)CCC[C@]12CCCCO2 ZINC000468661841 882798718 /nfs/dbraw/zinc/79/87/18/882798718.db2.gz MIPTXADMLDLRMV-MAUKXSAKSA-N 0 0 411.365 4.287 20 30 HIEDRN N#C[C@@H]1N(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCC[C@@]12CCCCO2 ZINC000468665086 882800369 /nfs/dbraw/zinc/80/03/69/882800369.db2.gz AQXKWIOXZFFXIL-RXVVDRJESA-N 0 0 415.946 4.460 20 30 HIEDRN N#C[C@H]1N(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CCC[C@]12CCCCO2 ZINC000468665087 882800534 /nfs/dbraw/zinc/80/05/34/882800534.db2.gz AQXKWIOXZFFXIL-WIYYLYMNSA-N 0 0 415.946 4.460 20 30 HIEDRN Cc1cc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(C)n1C1CCCCC1 ZINC000461196098 874195630 /nfs/dbraw/zinc/19/56/30/874195630.db2.gz XFKOYCZTOUDMHK-UHFFFAOYSA-N 0 0 411.575 4.209 20 30 HIEDRN CCOCc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)no1 ZINC000461244245 874247410 /nfs/dbraw/zinc/24/74/10/874247410.db2.gz MBLBWYDVGYMCBY-OAHLLOKOSA-N 0 0 406.442 4.070 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCCO2)c1 ZINC000461255757 874261326 /nfs/dbraw/zinc/26/13/26/874261326.db2.gz KOJHRRGUQZFIGQ-GOSISDBHSA-N 0 0 419.451 4.165 20 30 HIEDRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461256814 874262508 /nfs/dbraw/zinc/26/25/08/874262508.db2.gz PGHYEXZHEUWHRW-IBGZPJMESA-N 0 0 407.543 4.472 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000461258154 874263862 /nfs/dbraw/zinc/26/38/62/874263862.db2.gz VQYDLBLPISGYMB-XZOQPEGZSA-N 0 0 413.525 4.207 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3cccc(F)c3)C3CC3)n2C[C@H]2CCCO2)c1 ZINC000461258716 874264490 /nfs/dbraw/zinc/26/44/90/874264490.db2.gz XEXOKLMFXGBAAZ-JOCHJYFZSA-N 0 0 417.488 4.304 20 30 HIEDRN Cc1nc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)cs1 ZINC000461260199 874266341 /nfs/dbraw/zinc/26/63/41/874266341.db2.gz ZIAKARUAVQNVIZ-QUCCMNQESA-N 0 0 420.542 4.102 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)CCCn2ccc3cc(Cl)ccc32)cn1 ZINC000461282503 874289080 /nfs/dbraw/zinc/28/90/80/874289080.db2.gz IEUOXPUSVVEZHG-UHFFFAOYSA-N 0 0 404.861 4.166 20 30 HIEDRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461292122 874297276 /nfs/dbraw/zinc/29/72/76/874297276.db2.gz ODMWRCWGBHEULC-AWEZNQCLSA-N 0 0 424.302 4.109 20 30 HIEDRN CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)cc1 ZINC000461297119 874302534 /nfs/dbraw/zinc/30/25/34/874302534.db2.gz GOLHKNSAZYHYII-UHFFFAOYSA-N 0 0 423.432 4.386 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000461300915 874305883 /nfs/dbraw/zinc/30/58/83/874305883.db2.gz NKEHBBHDIXERND-UHFFFAOYSA-N 0 0 400.269 4.326 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccccc1OCc1ccccc1C ZINC000461302549 874307552 /nfs/dbraw/zinc/30/75/52/874307552.db2.gz TXKKHHLOFVQLFV-UHFFFAOYSA-N 0 0 423.476 4.587 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)cn1 ZINC000461302894 874309373 /nfs/dbraw/zinc/30/93/73/874309373.db2.gz VOVLHRKWOPDWAO-UHFFFAOYSA-N 0 0 417.375 4.462 20 30 HIEDRN Cc1cccc(COc2cccc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)c2)c1 ZINC000461310422 874317519 /nfs/dbraw/zinc/31/75/19/874317519.db2.gz XVQWOWOGWUTMNE-UHFFFAOYSA-N 0 0 409.449 4.279 20 30 HIEDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000468696959 882817935 /nfs/dbraw/zinc/81/79/35/882817935.db2.gz ZAZCQCJRQSHREC-GPANFISMSA-N 0 0 410.440 4.016 20 30 HIEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461358522 874360192 /nfs/dbraw/zinc/36/01/92/874360192.db2.gz GUZXVDHWRVYKEJ-IBGZPJMESA-N 0 0 419.554 4.059 20 30 HIEDRN Cc1ccc(NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)nc1C#N ZINC000468707724 882823442 /nfs/dbraw/zinc/82/34/42/882823442.db2.gz BQCIVDJMUPCKIS-UHFFFAOYSA-N 0 0 400.482 4.672 20 30 HIEDRN CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461393042 874399715 /nfs/dbraw/zinc/39/97/15/874399715.db2.gz XNQQSANCCDJODI-IBGZPJMESA-N 0 0 421.570 4.374 20 30 HIEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCCc2cn3c(n2)SCC3)cc1 ZINC000468717936 882826970 /nfs/dbraw/zinc/82/69/70/882826970.db2.gz WAZLZBUQQSCAAC-UHFFFAOYSA-N 0 0 420.563 4.125 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cccc(OCc2ccccc2F)c1 ZINC000461409798 874425579 /nfs/dbraw/zinc/42/55/79/874425579.db2.gz XYDJKBGNDKMWQH-UHFFFAOYSA-N 0 0 413.456 4.778 20 30 HIEDRN CCCCOc1ccc(CNc2nn(-c3ccc(C#N)cn3)cc2C)cc1OCC ZINC000461409712 874425656 /nfs/dbraw/zinc/42/56/56/874425656.db2.gz FQENVLRAYAQYTI-UHFFFAOYSA-N 0 0 405.502 4.637 20 30 HIEDRN N#Cc1cccnc1-n1cc(NCc2cc3ccccc3nc2N2CCCCC2)cn1 ZINC000461414811 874432227 /nfs/dbraw/zinc/43/22/27/874432227.db2.gz CVIPIBIVEWGKCI-UHFFFAOYSA-N 0 0 409.497 4.290 20 30 HIEDRN COC(=O)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 ZINC000461417610 874439440 /nfs/dbraw/zinc/43/94/40/874439440.db2.gz PUORPZIOXNKVOO-FQEVSTJZSA-N 0 0 418.424 4.176 20 30 HIEDRN COc1ccc(OCC(=O)Nc2ccccc2SCC#N)c(Br)c1 ZINC000461424393 874455458 /nfs/dbraw/zinc/45/54/58/874455458.db2.gz GDNHENHKOOKAAV-UHFFFAOYSA-N 0 0 407.289 4.091 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000461428911 874468248 /nfs/dbraw/zinc/46/82/48/874468248.db2.gz TWUMJXFPQUQNGB-UHFFFAOYSA-N 0 0 404.651 4.148 20 30 HIEDRN COc1cc(CNc2cnn(-c3ncccc3C#N)c2)ccc1OCc1ccccc1 ZINC000461430671 874472750 /nfs/dbraw/zinc/47/27/50/874472750.db2.gz XWYRFYPKGZURKA-UHFFFAOYSA-N 0 0 411.465 4.339 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1CCCOc1cccc(C(F)(F)F)c1 ZINC000461433741 874482707 /nfs/dbraw/zinc/48/27/07/874482707.db2.gz WXGUFMYKWIMIBD-UHFFFAOYSA-N 0 0 415.209 4.279 20 30 HIEDRN CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)c2ccccc21 ZINC000468738885 882836350 /nfs/dbraw/zinc/83/63/50/882836350.db2.gz JGKBYWUWNIVEHZ-ZLNRFVROSA-N 0 0 401.510 4.050 20 30 HIEDRN CCN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461494071 874563786 /nfs/dbraw/zinc/56/37/86/874563786.db2.gz VHHQNGKEXATRNE-UHFFFAOYSA-N 0 0 407.543 4.465 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4cc(Cl)ccc4C3)n2C[C@H]2CCOC2)c1 ZINC000461522084 874605111 /nfs/dbraw/zinc/60/51/11/874605111.db2.gz JRKFHWVTPZDBMG-QGZVFWFLSA-N 0 0 419.916 4.069 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3ccccc3F)C3CC3)n2C[C@H]2CCOC2)c1 ZINC000461528488 874613973 /nfs/dbraw/zinc/61/39/73/874613973.db2.gz JBSSXVXEMZGIAK-GOSISDBHSA-N 0 0 417.488 4.161 20 30 HIEDRN CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1ccc(C#N)cc1 ZINC000461531444 874617162 /nfs/dbraw/zinc/61/71/62/874617162.db2.gz HHKNGJHEYDKRRL-UHFFFAOYSA-N 0 0 419.554 4.449 20 30 HIEDRN Cc1ccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@H]2CCOC2)s1 ZINC000461536938 874624106 /nfs/dbraw/zinc/62/41/06/874624106.db2.gz OANGLOLKXPMKJM-LJQANCHMSA-N 0 0 419.554 4.392 20 30 HIEDRN CCOc1c(Br)cc(C(=O)N(CC)c2ccc(C#N)cc2)cc1OC ZINC000461550978 874637495 /nfs/dbraw/zinc/63/74/95/874637495.db2.gz XVMSYZKSVQGWMY-UHFFFAOYSA-N 0 0 403.276 4.395 20 30 HIEDRN CC(C)CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461561462 874654998 /nfs/dbraw/zinc/65/49/98/874654998.db2.gz FOETUCFSXJMXOH-LEWJYISDSA-N 0 0 423.561 4.170 20 30 HIEDRN CCN(Cc1c(F)cccc1F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461589369 874705165 /nfs/dbraw/zinc/70/51/65/874705165.db2.gz PZKJVCRWVIYYIR-QGZVFWFLSA-N 0 0 423.467 4.158 20 30 HIEDRN Cc1ccccc1[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461589430 874705218 /nfs/dbraw/zinc/70/52/18/874705218.db2.gz QJCBRPAABVFWKH-ICSRJNTNSA-N 0 0 401.514 4.359 20 30 HIEDRN Cc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461594015 874716289 /nfs/dbraw/zinc/71/62/89/874716289.db2.gz AAYCCRTZTSHPRM-PZJWPPBQSA-N 0 0 415.541 4.229 20 30 HIEDRN C=CC[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC000461597401 874723288 /nfs/dbraw/zinc/72/32/88/874723288.db2.gz FCINUBROVSZWIP-PZJWPPBQSA-N 0 0 405.546 4.424 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461601554 874732615 /nfs/dbraw/zinc/73/26/15/874732615.db2.gz JXSCDHBMRLYBPU-HXUWFJFHSA-N 0 0 419.504 4.407 20 30 HIEDRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461603473 874736426 /nfs/dbraw/zinc/73/64/26/874736426.db2.gz OBRQRANDYKOHKA-RDJZCZTQSA-N 0 0 423.467 4.329 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2C[C@@H]2CCOC2)c1 ZINC000461603121 874736932 /nfs/dbraw/zinc/73/69/32/874736932.db2.gz NGAAMCQFVXNJHJ-PGRDOPGGSA-N 0 0 417.488 4.334 20 30 HIEDRN C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461605899 874741781 /nfs/dbraw/zinc/74/17/81/874741781.db2.gz SQPLJCVEEAZIHF-WBVHZDCISA-N 0 0 423.467 4.329 20 30 HIEDRN C[C@@H](c1c(F)cccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461605897 874741894 /nfs/dbraw/zinc/74/18/94/874741894.db2.gz SQPLJCVEEAZIHF-RDJZCZTQSA-N 0 0 423.467 4.329 20 30 HIEDRN C=CC[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC000461609788 874752608 /nfs/dbraw/zinc/75/26/08/874752608.db2.gz BJZWVZJEOHOODO-PZJWPPBQSA-N 0 0 405.546 4.424 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCOC2)c1 ZINC000461619976 874769454 /nfs/dbraw/zinc/76/94/54/874769454.db2.gz RIEWXLNWBSZGMP-KRWDZBQOSA-N 0 0 419.451 4.022 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCOC1 ZINC000461634457 874789584 /nfs/dbraw/zinc/78/95/84/874789584.db2.gz WBZOLFUPGBFHMV-GOSISDBHSA-N 0 0 414.550 4.180 20 30 HIEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1)C1CCCC1 ZINC000461661453 874814927 /nfs/dbraw/zinc/81/49/27/874814927.db2.gz YWPRMUHYXIUTAO-HXUWFJFHSA-N 0 0 423.561 4.170 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCO1 ZINC000461663243 874816414 /nfs/dbraw/zinc/81/64/14/874816414.db2.gz JNZWKXIIOPSZIT-NRFANRHFSA-N 0 0 403.530 4.144 20 30 HIEDRN CC(C)(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000461673474 874823522 /nfs/dbraw/zinc/82/35/22/874823522.db2.gz KLZRDKVAZLKWGE-NRFANRHFSA-N 0 0 405.546 4.310 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3ccco3)C3CCCC3)n2C[C@@H]2CCOC2)c1 ZINC000461673260 874823877 /nfs/dbraw/zinc/82/38/77/874823877.db2.gz UUBSQPAOESEHLL-IBGZPJMESA-N 0 0 417.513 4.395 20 30 HIEDRN C=CCN(CC=C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC1 ZINC000461680603 874830785 /nfs/dbraw/zinc/83/07/85/874830785.db2.gz BZQARBNDPLRIKJ-CQSZACIVSA-N 0 0 421.314 4.062 20 30 HIEDRN COCC[C@@H](Cc1cccc(F)c1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468805781 882868710 /nfs/dbraw/zinc/86/87/10/882868710.db2.gz BYSBYVGBMPNFFH-QFIPXVFZSA-N 0 0 409.505 4.468 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCOC2)cc1 ZINC000461702883 874853554 /nfs/dbraw/zinc/85/35/54/874853554.db2.gz YRYRYLDQBAKVLY-QGZVFWFLSA-N 0 0 419.451 4.022 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)c1 ZINC000461705947 874855231 /nfs/dbraw/zinc/85/52/31/874855231.db2.gz TWMHRLKOYGIDKI-UHFFFAOYSA-N 0 0 409.445 4.321 20 30 HIEDRN Cc1cc(C)cc(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)c1 ZINC000461710466 874858707 /nfs/dbraw/zinc/85/87/07/874858707.db2.gz ZBPXJFXGQFCSTH-FQEVSTJZSA-N 0 0 417.513 4.150 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC2)C2CC2)cc1 ZINC000461710067 874858818 /nfs/dbraw/zinc/85/88/18/874858818.db2.gz ZKMLOECGKLARST-NRFANRHFSA-N 0 0 405.546 4.088 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000461714465 874863960 /nfs/dbraw/zinc/86/39/60/874863960.db2.gz IMTXGSUHIYOPIN-UHFFFAOYSA-N 0 0 419.510 4.270 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Cc3csc(-c4ccc(Cl)s4)n3)C2)cc1 ZINC000461726684 874873618 /nfs/dbraw/zinc/87/36/18/874873618.db2.gz LARKVTBDFCZXOB-UHFFFAOYSA-N 0 0 415.927 4.229 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000461740040 874885200 /nfs/dbraw/zinc/88/52/00/874885200.db2.gz IQOUCAFDDGAUSQ-UHFFFAOYSA-N 0 0 407.857 4.089 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCOc1ccc(Cl)cc1Cl ZINC000461742730 874886272 /nfs/dbraw/zinc/88/62/72/874886272.db2.gz MKCQNLVUBBWJBI-UHFFFAOYSA-N 0 0 416.268 4.162 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NCc3cc(O)ccc3Br)ccc21 ZINC000468817832 882874474 /nfs/dbraw/zinc/87/44/74/882874474.db2.gz DWVNWKMUCSLCRC-UHFFFAOYSA-N 0 0 414.303 4.350 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000461781696 874904810 /nfs/dbraw/zinc/90/48/10/874904810.db2.gz UVBXSEQDOSXGED-YOEHRIQHSA-N 0 0 422.485 4.158 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000461790191 874907459 /nfs/dbraw/zinc/90/74/59/874907459.db2.gz XPGPZZWVNUVQSD-CXAGYDPISA-N 0 0 417.387 4.245 20 30 HIEDRN Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCO2)cc1C ZINC000461820034 874943004 /nfs/dbraw/zinc/94/30/04/874943004.db2.gz UERKIJJHPLTAJB-JOCHJYFZSA-N 0 0 423.561 4.173 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4sccc4C3)n2C[C@@H]2CCCCO2)c1 ZINC000461822456 874948172 /nfs/dbraw/zinc/94/81/72/874948172.db2.gz BQUJORHCMYACTO-IBGZPJMESA-N 0 0 405.527 4.010 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCCO1 ZINC000461828568 874958285 /nfs/dbraw/zinc/95/82/85/874958285.db2.gz JNZOJOGOTPQQDZ-SFHVURJKSA-N 0 0 404.518 4.126 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461833641 874966611 /nfs/dbraw/zinc/96/66/11/874966611.db2.gz RJPHNIRYJLODMZ-OLMNPRSZSA-N 0 0 419.451 4.163 20 30 HIEDRN C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCCCO1)C1CC1 ZINC000461839453 874975892 /nfs/dbraw/zinc/97/58/92/874975892.db2.gz TVPANRODNXOWJI-FUHWJXTLSA-N 0 0 400.498 4.281 20 30 HIEDRN C[C@H]1Cc2ccccc2CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461839498 874976187 /nfs/dbraw/zinc/97/61/87/874976187.db2.gz KDTODTVVZYEBJT-MBSDFSHPSA-N 0 0 413.525 4.337 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@@H](c3ccc(F)cc3)c3cnccn3)ccc21 ZINC000468835613 882883059 /nfs/dbraw/zinc/88/30/59/882883059.db2.gz CSHHZUPYDFAAPZ-DEOSSOPVSA-N 0 0 415.472 4.400 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(CCc2ccco2)n1C[C@H]1CCCCO1 ZINC000461849693 874992377 /nfs/dbraw/zinc/99/23/77/874992377.db2.gz LPJVIYDMVFWRQK-JOCHJYFZSA-N 0 0 406.530 4.418 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000461852717 874996704 /nfs/dbraw/zinc/99/67/04/874996704.db2.gz NQRMYQKEOBKCET-FKBYEOEOSA-N 0 0 408.546 4.271 20 30 HIEDRN C[C@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461853759 874997927 /nfs/dbraw/zinc/99/79/27/874997927.db2.gz OQNDUVLRBNLKRT-VGSWGCGISA-N 0 0 417.513 4.289 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCO1 ZINC000461856631 875002339 /nfs/dbraw/zinc/00/23/39/875002339.db2.gz SOGYWRSIEDNAGC-RHSMWYFYSA-N 0 0 418.339 4.015 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2C[C@H]2CCCCO2)cc1 ZINC000461860297 875008576 /nfs/dbraw/zinc/00/85/76/875008576.db2.gz SWMKCNOGJPNRHE-NNWRFLSQSA-N 0 0 421.545 4.067 20 30 HIEDRN C=CCN(CC=C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCCO1 ZINC000461860494 875009654 /nfs/dbraw/zinc/00/96/54/875009654.db2.gz YPKRALJRHMWNOS-KRWDZBQOSA-N 0 0 402.926 4.355 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2cccc3ccccc32)n1C[C@@H]1CCCCO1 ZINC000461862211 875010768 /nfs/dbraw/zinc/01/07/68/875010768.db2.gz DOUHRSZUNABXEO-RXVVDRJESA-N 0 0 403.530 4.330 20 30 HIEDRN C[C@@H]1CC2(CCC2)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461864001 875014221 /nfs/dbraw/zinc/01/42/21/875014221.db2.gz VXSBZOXCMSPIAZ-WIYYLYMNSA-N 0 0 421.545 4.067 20 30 HIEDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)[C@H](C)c3cccc(C#N)c3)c2)cc1 ZINC000461906185 875048755 /nfs/dbraw/zinc/04/87/55/875048755.db2.gz FRLWZZHXLOQWFT-LJQANCHMSA-N 0 0 411.505 4.217 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c1C ZINC000461906899 875050464 /nfs/dbraw/zinc/05/04/64/875050464.db2.gz DMHWXAJVOYJRJC-CZUORRHYSA-N 0 0 402.296 4.065 20 30 HIEDRN C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1cc2c(cc1Br)OCCO2 ZINC000461915493 875056626 /nfs/dbraw/zinc/05/66/26/875056626.db2.gz GYLKPKDOJMRHHS-CHWSQXEVSA-N 0 0 415.287 4.073 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3cc(F)ccc3SCC(F)F)C2)cc1 ZINC000461924939 875064770 /nfs/dbraw/zinc/06/47/70/875064770.db2.gz ZLZGJCUNFGTPBK-UHFFFAOYSA-N 0 0 407.417 4.350 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000461943977 875077115 /nfs/dbraw/zinc/07/71/15/875077115.db2.gz HZXJDQCDJWPWJR-RTBURBONSA-N 0 0 413.543 4.212 20 30 HIEDRN COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2C#N)c2c[nH]c3ccccc32)cc1 ZINC000461949408 875081077 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HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000461965234 875090781 /nfs/dbraw/zinc/09/07/81/875090781.db2.gz MOVKUOQNYBFSDD-DJJJIMSYSA-N 0 0 414.868 4.223 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@]1(COC)OCCc2ccccc21 ZINC000461970530 875093657 /nfs/dbraw/zinc/09/36/57/875093657.db2.gz KFKLEIFDNHSELF-NRFANRHFSA-N 0 0 420.962 4.214 20 30 HIEDRN C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000461990172 875109890 /nfs/dbraw/zinc/10/98/90/875109890.db2.gz QXRNWAFAALLSJG-LBPRGKRZSA-N 0 0 420.263 4.163 20 30 HIEDRN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000461991374 875111451 /nfs/dbraw/zinc/11/14/51/875111451.db2.gz HSDDPSXJFGVZRD-PMACEKPBSA-N 0 0 406.482 4.364 20 30 HIEDRN C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1nc(-c2ccccc2)cs1 ZINC000462004915 875126707 /nfs/dbraw/zinc/12/67/07/875126707.db2.gz MKCMJEQTRIZVOK-HNNXBMFYSA-N 0 0 404.495 4.216 20 30 HIEDRN CCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H](C)c1cc2ccccc2o1 ZINC000462026541 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KVOGFLIXCKQHCC-UHFFFAOYSA-N 0 0 405.527 4.361 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000466691542 880481844 /nfs/dbraw/zinc/48/18/44/880481844.db2.gz PEUGZXDNMFVXOP-VWNXMTODSA-N 0 0 406.530 4.016 20 30 HIEDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)NCCc2cccc(C#N)c2)C1 ZINC000466707315 880498512 /nfs/dbraw/zinc/49/85/12/880498512.db2.gz MKGYDJMUVUUMAA-QZTJIDSGSA-N 0 0 404.514 4.041 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 ZINC000466784841 880563382 /nfs/dbraw/zinc/56/33/82/880563382.db2.gz HLUPWEBKELEEKW-FQEVSTJZSA-N 0 0 422.326 4.409 20 30 HIEDRN N#C[C@@H]1CSCCN1C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466871088 880637721 /nfs/dbraw/zinc/63/77/21/880637721.db2.gz PWJDATVPHHQWQR-CQSZACIVSA-N 0 0 419.915 4.481 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(-n2cccn2)cc1 ZINC000466965635 880761057 /nfs/dbraw/zinc/76/10/57/880761057.db2.gz CJTYVHYYNLBBBQ-SFHVURJKSA-N 0 0 415.497 4.058 20 30 HIEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000467000666 880809374 /nfs/dbraw/zinc/80/93/74/880809374.db2.gz SERJWZLZUUOOQR-HNNXBMFYSA-N 0 0 424.751 4.187 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000467094453 880859248 /nfs/dbraw/zinc/85/92/48/880859248.db2.gz YUCMPZDRQAVIPE-OAHLLOKOSA-N 0 0 420.782 4.260 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C(=O)Nc2ccccc21 ZINC000467138529 880882470 /nfs/dbraw/zinc/88/24/70/880882470.db2.gz KHFXYRYMHKQVQT-HOTGVXAUSA-N 0 0 408.527 4.114 20 30 HIEDRN COc1cc(CN2CCC(=O)Nc3ccccc32)ccc1OCc1cccc(C#N)c1 ZINC000467139954 880883664 /nfs/dbraw/zinc/88/36/64/880883664.db2.gz PODUCHKITYYCTL-UHFFFAOYSA-N 0 0 413.477 4.495 20 30 HIEDRN C=CCCN(C)C(=O)C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000467145301 880885066 /nfs/dbraw/zinc/88/50/66/880885066.db2.gz YIBLFWYCUZDFNW-UHFFFAOYSA-N 0 0 410.861 4.049 20 30 HIEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000467154679 880889672 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HIEDRN CCOCCOCc1cccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000467268217 881008613 /nfs/dbraw/zinc/00/86/13/881008613.db2.gz JIXCIDVAWGMOHA-UHFFFAOYSA-N 0 0 401.894 4.124 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC=Cc3ccccc32)c1C#N ZINC000467274762 881018383 /nfs/dbraw/zinc/01/83/83/881018383.db2.gz IRMLDUYFSNKNDX-UHFFFAOYSA-N 0 0 400.482 4.480 20 30 HIEDRN Cc1c(C(=O)N(CCC#N)CC(F)(F)F)cnn1-c1cccc(C(F)(F)F)c1 ZINC000467317520 881063365 /nfs/dbraw/zinc/06/33/65/881063365.db2.gz ACCMKSCQHDLXMQ-UHFFFAOYSA-N 0 0 404.314 4.118 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(CCC#N)CC(F)(F)F ZINC000467326528 881073443 /nfs/dbraw/zinc/07/34/43/881073443.db2.gz UHAHLQCSTSINCS-UHFFFAOYSA-N 0 0 413.396 4.366 20 30 HIEDRN Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)nc21 ZINC000467427969 881219500 /nfs/dbraw/zinc/21/95/00/881219500.db2.gz NRQKZXHLZKCBLK-HNNXBMFYSA-N 0 0 421.503 4.256 20 30 HIEDRN CC(=O)Nc1ccc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1Cl ZINC000469069829 883149085 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C[C@@H](CC(=O)Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469131754 883226948 /nfs/dbraw/zinc/22/69/48/883226948.db2.gz WARZVFUOHZKSSY-INIZCTEOSA-N 0 0 408.477 4.238 20 30 HIEDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000469136010 883231437 /nfs/dbraw/zinc/23/14/37/883231437.db2.gz SQJZHIQLTBWAMZ-UHFFFAOYSA-N 0 0 423.494 4.179 20 30 HIEDRN Cc1cc(C[C@H](C)NC(=O)c2cc(-c3cccc(C#N)c3)no2)n(-c2ccccc2)n1 ZINC000469194436 883295028 /nfs/dbraw/zinc/29/50/28/883295028.db2.gz CVVJHJLGDTWBJS-INIZCTEOSA-N 0 0 411.465 4.068 20 30 HIEDRN CCCN1C(=O)CCc2cc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)ccc21 ZINC000469197462 883297653 /nfs/dbraw/zinc/29/76/53/883297653.db2.gz RYUHDLBMFRYNFA-UHFFFAOYSA-N 0 0 400.438 4.155 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1 ZINC000469230112 883329288 /nfs/dbraw/zinc/32/92/88/883329288.db2.gz VJWYHLGUFAKQRD-UHFFFAOYSA-N 0 0 413.412 4.382 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3)on2)c1 ZINC000469277856 883376630 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Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000469814723 883991905 /nfs/dbraw/zinc/99/19/05/883991905.db2.gz VXYBFVFWKPBUFG-UHFFFAOYSA-N 0 0 404.420 4.260 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000469882640 884072688 /nfs/dbraw/zinc/07/26/88/884072688.db2.gz VDJQFIKVPDZZSZ-AZUAARDMSA-N 0 0 402.416 4.378 20 30 HIEDRN Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 ZINC000469922231 884112882 /nfs/dbraw/zinc/11/28/82/884112882.db2.gz YWXPBLNRPVDEQG-IBGZPJMESA-N 0 0 404.441 4.132 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(OC(F)(F)F)c3)ccc21 ZINC000469950428 884151488 /nfs/dbraw/zinc/15/14/88/884151488.db2.gz MHYMEDLBGZBVIU-UHFFFAOYSA-N 0 0 417.387 4.420 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc4c(c3)CCCC4)ccc21 ZINC000469955491 884157866 /nfs/dbraw/zinc/15/78/66/884157866.db2.gz GKCOIMCHYLTIHY-UHFFFAOYSA-N 0 0 417.509 4.166 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-n4cccc4)c(F)c3)ccc21 ZINC000469955967 884160073 /nfs/dbraw/zinc/16/00/73/884160073.db2.gz KGXVHDMFMKMAPR-UHFFFAOYSA-N 0 0 416.456 4.452 20 30 HIEDRN CCc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469975673 884188549 /nfs/dbraw/zinc/18/85/49/884188549.db2.gz UDHXLNLEXMSABQ-UHFFFAOYSA-N 0 0 417.509 4.434 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@@H](CC)C3)cc2C1=O ZINC000470011998 884228728 /nfs/dbraw/zinc/22/87/28/884228728.db2.gz NXUPBFRGXBSVCZ-PXNSSMCTSA-N 0 0 402.494 4.125 20 30 HIEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025139 884244929 /nfs/dbraw/zinc/24/49/29/884244929.db2.gz SOSRJZGTTYMHRH-XJKSGUPXSA-N 0 0 404.297 4.345 20 30 HIEDRN CCCN(CC)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000503706891 912803980 /nfs/dbraw/zinc/80/39/80/912803980.db2.gz GJVXSYVTABFEKT-UHFFFAOYSA-N 0 0 418.541 4.285 20 30 HIEDRN C=CCn1c(SC[C@@H](O)CC(F)(F)F)nnc1-c1ccc(Br)cc1 ZINC000470030373 884261965 /nfs/dbraw/zinc/26/19/65/884261965.db2.gz OISPBBKVPVQQNB-LBPRGKRZSA-N 0 0 422.270 4.299 20 30 HIEDRN N#Cc1cccc(CS(=O)(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000503736828 912812483 /nfs/dbraw/zinc/81/24/83/912812483.db2.gz KSFTVWZCZWVACL-UHFFFAOYSA-N 0 0 408.445 4.466 20 30 HIEDRN CC1(C#N)CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000503769131 912819060 /nfs/dbraw/zinc/81/90/60/912819060.db2.gz ZXRFBADGOJTMLI-UHFFFAOYSA-N 0 0 400.344 4.039 20 30 HIEDRN CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000503773076 912820209 /nfs/dbraw/zinc/82/02/09/912820209.db2.gz MMDDFFCVPPSUOY-KNXBSLHKSA-N 0 0 421.566 4.193 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3Br)CC2)c(Cl)c1 ZINC000470202267 884515496 /nfs/dbraw/zinc/51/54/96/884515496.db2.gz WRQLLMVNLRIHGK-UHFFFAOYSA-N 0 0 422.685 4.076 20 30 HIEDRN CCO[C@H](C)c1nc(CN(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cs1 ZINC000470216417 884540604 /nfs/dbraw/zinc/54/06/04/884540604.db2.gz SJPXZBDYJKNMMG-OAHLLOKOSA-N 0 0 420.966 4.273 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c(Cl)c1 ZINC000470216854 884544092 /nfs/dbraw/zinc/54/40/92/884544092.db2.gz VZSNZTHQTLEONN-UHFFFAOYSA-N 0 0 406.917 4.364 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000470219494 884545979 /nfs/dbraw/zinc/54/59/79/884545979.db2.gz SVUGIPYEEZFLKF-CNNODRBYSA-N 0 0 411.571 4.462 20 30 HIEDRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503838524 912836884 /nfs/dbraw/zinc/83/68/84/912836884.db2.gz FAPPKSZIFVKQAU-DEOSSOPVSA-N 0 0 415.537 4.327 20 30 HIEDRN COCc1c2ccccc2oc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000470233792 884562202 /nfs/dbraw/zinc/56/22/02/884562202.db2.gz RQDPLGROLHKFER-UHFFFAOYSA-N 0 0 409.873 4.067 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)CC2)cc1 ZINC000503843861 912838838 /nfs/dbraw/zinc/83/88/38/912838838.db2.gz VVQRTJZPPQUFQX-UHFFFAOYSA-N 0 0 420.534 4.204 20 30 HIEDRN CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000503849251 912840881 /nfs/dbraw/zinc/84/08/81/912840881.db2.gz XNMCPAZQHGHWAS-HNNXBMFYSA-N 0 0 408.911 4.024 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000470260047 884602436 /nfs/dbraw/zinc/60/24/36/884602436.db2.gz XGDKYAFPXDNJEU-UHFFFAOYSA-N 0 0 405.376 4.374 20 30 HIEDRN COC(=O)c1ccc(COc2ccc(/C=C\c3ccncc3C#N)cc2OC)cc1 ZINC000470280565 884644314 /nfs/dbraw/zinc/64/43/14/884644314.db2.gz PHUBZPFKMIKIEC-CLTKARDFSA-N 0 0 400.434 4.498 20 30 HIEDRN C[C@@H]1CN(Cc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000503874861 912848344 /nfs/dbraw/zinc/84/83/44/912848344.db2.gz PUFFKPWLBGEFGW-BGYRXZFFSA-N 0 0 415.537 4.097 20 30 HIEDRN CC(C)(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)c2ccccc21 ZINC000470294357 884670937 /nfs/dbraw/zinc/67/09/37/884670937.db2.gz BGICZWGWJWVNQU-RBBKRZOGSA-N 0 0 401.510 4.226 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)CSCC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000503879696 912850078 /nfs/dbraw/zinc/85/00/78/912850078.db2.gz XGENIWUCRHYWSB-UHFFFAOYSA-N 0 0 410.926 4.443 20 30 HIEDRN C=CC[C@@H]1N(C(=O)CCC(=O)c2ccc(OC)c(OC)c2OC)CCCC1(C)C ZINC000470301909 884676959 /nfs/dbraw/zinc/67/69/59/884676959.db2.gz CJGKQNBWFCUJNB-IBGZPJMESA-N 0 0 403.519 4.269 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C ZINC000470305380 884681550 /nfs/dbraw/zinc/68/15/50/884681550.db2.gz ANPRHFUECXKMIY-IBGZPJMESA-N 0 0 406.452 4.465 20 30 HIEDRN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000470317057 884693349 /nfs/dbraw/zinc/69/33/49/884693349.db2.gz BIJRNZMXGFCSDD-UHFFFAOYSA-N 0 0 402.498 4.430 20 30 HIEDRN CCOC(=O)CCN(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000470358357 884752599 /nfs/dbraw/zinc/75/25/99/884752599.db2.gz APQYPARXBHSLKC-UHFFFAOYSA-N 0 0 415.877 4.208 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470364574 884758422 /nfs/dbraw/zinc/75/84/22/884758422.db2.gz VAOBITYFOBLRNS-AWEZNQCLSA-N 0 0 412.471 4.284 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470364153 884758828 /nfs/dbraw/zinc/75/88/28/884758828.db2.gz RQDJOMZIMAGZNX-AWEZNQCLSA-N 0 0 412.471 4.142 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CN(Cc2ccco2)C[C@@H]2CCCO2)ccc1Cl ZINC000470369571 884765009 /nfs/dbraw/zinc/76/50/09/884765009.db2.gz OAPPCXNANUTCHI-FQEVSTJZSA-N 0 0 415.921 4.169 20 30 HIEDRN CCOCCOCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000470398997 884804485 /nfs/dbraw/zinc/80/44/85/884804485.db2.gz UBSBVPCBLRRRFN-UHFFFAOYSA-N 0 0 401.438 4.006 20 30 HIEDRN CCOc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)cc1Br ZINC000470444328 884841199 /nfs/dbraw/zinc/84/11/99/884841199.db2.gz FBWYENJKYZZSOH-UHFFFAOYSA-N 0 0 415.696 4.174 20 30 HIEDRN C=CCn1c(SCCCC(=O)N2CCCCC2)nnc1-c1ccccc1OC ZINC000470445859 884842797 /nfs/dbraw/zinc/84/27/97/884842797.db2.gz XWJQFZYSHVXWCW-UHFFFAOYSA-N 0 0 400.548 4.025 20 30 HIEDRN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)CCC#N)n(CCc1ccccc1)c2=O ZINC000470452289 884847267 /nfs/dbraw/zinc/84/72/67/884847267.db2.gz NZSRMDSRESMPLJ-INIZCTEOSA-N 0 0 421.522 4.210 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3NC(=O)c3ccccc3)n2)c1 ZINC000503942101 912874759 /nfs/dbraw/zinc/87/47/59/912874759.db2.gz BHQGPZFBXAMJLZ-UHFFFAOYSA-N 0 0 407.433 4.249 20 30 HIEDRN N#Cc1cnc(N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c(Cl)c1 ZINC000470516370 884905790 /nfs/dbraw/zinc/90/57/90/884905790.db2.gz PRMRUGGIMHZRKN-UHFFFAOYSA-N 0 0 406.873 4.299 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1 ZINC000470529285 884925651 /nfs/dbraw/zinc/92/56/51/884925651.db2.gz DJYXHCQGNVDNKF-UHFFFAOYSA-N 0 0 406.530 4.191 20 30 HIEDRN Cc1cc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)nn1[C@H](C)C1CC1 ZINC000470531555 884930697 /nfs/dbraw/zinc/93/06/97/884930697.db2.gz LPPCWFLRGNEOIR-MRXNPFEDSA-N 0 0 420.517 4.390 20 30 HIEDRN CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(C)cs1 ZINC000470535936 884937025 /nfs/dbraw/zinc/93/70/25/884937025.db2.gz JAAKAXAVEXGTQM-KRWDZBQOSA-N 0 0 411.531 4.307 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470536312 884937522 /nfs/dbraw/zinc/93/75/22/884937522.db2.gz DMZCQUHWUDPKMI-UHFFFAOYSA-N 0 0 406.486 4.125 20 30 HIEDRN Cc1cc(C(=O)NC(C)C)ccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470536320 884937570 /nfs/dbraw/zinc/93/75/70/884937570.db2.gz DPCFJUUJTHFZNH-UHFFFAOYSA-N 0 0 412.921 4.145 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1C ZINC000470536964 884938822 /nfs/dbraw/zinc/93/88/22/884938822.db2.gz MHCYTYMPLYQOBD-UHFFFAOYSA-N 0 0 406.530 4.191 20 30 HIEDRN Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470536885 884939194 /nfs/dbraw/zinc/93/91/94/884939194.db2.gz HISSFKRQDHZJFJ-OAQYLSRUSA-N 0 0 402.498 4.387 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC[C@H](c4cccc(F)c4)C3)ccc21 ZINC000470536417 884939288 /nfs/dbraw/zinc/93/92/88/884939288.db2.gz CSOJZHFHFHDZPN-IBGZPJMESA-N 0 0 420.488 4.430 20 30 HIEDRN CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470538061 884941162 /nfs/dbraw/zinc/94/11/62/884941162.db2.gz NYDUVTDDUJRHRD-UHFFFAOYSA-N 0 0 404.514 4.366 20 30 HIEDRN CCOc1cc2c(cc1NCC(=O)N(CCC#N)c1cccc(C)c1C)O[C@H](C)C2 ZINC000470539869 884942789 /nfs/dbraw/zinc/94/27/89/884942789.db2.gz NYISDLLJNVDTQB-QGZVFWFLSA-N 0 0 407.514 4.384 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N(CCC(F)(F)F)CC3CC3)ccc21 ZINC000470539439 884942822 /nfs/dbraw/zinc/94/28/22/884942822.db2.gz XXOYQSHOYZHMBA-UHFFFAOYSA-N 0 0 422.451 4.466 20 30 HIEDRN CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470540955 884946412 /nfs/dbraw/zinc/94/64/12/884946412.db2.gz CHONVNSLRZSEKP-UHFFFAOYSA-N 0 0 408.477 4.463 20 30 HIEDRN COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470541942 884946498 /nfs/dbraw/zinc/94/64/98/884946498.db2.gz LOOUZYOBSRFBIQ-FQEVSTJZSA-N 0 0 418.497 4.087 20 30 HIEDRN CN(CCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470543386 884950819 /nfs/dbraw/zinc/95/08/19/884950819.db2.gz VJGXAYAJAXFWAG-UHFFFAOYSA-N 0 0 408.477 4.115 20 30 HIEDRN CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000470546740 884955358 /nfs/dbraw/zinc/95/53/58/884955358.db2.gz NXLHIFZCUGONCM-RBUKOAKNSA-N 0 0 414.575 4.407 20 30 HIEDRN C[C@H](CCc1ccccc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470546518 884955432 /nfs/dbraw/zinc/95/54/32/884955432.db2.gz MQFFHMBVJLSGMI-GOSISDBHSA-N 0 0 404.514 4.412 20 30 HIEDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C12CCCC2 ZINC000470548411 884959338 /nfs/dbraw/zinc/95/93/38/884959338.db2.gz WMINLXKRMAYAIH-NHCUHLMSSA-N 0 0 424.545 4.129 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CNC(=O)c1ccsc1 ZINC000470551358 884963058 /nfs/dbraw/zinc/96/30/58/884963058.db2.gz LMVQAVSHMBZUHM-UHFFFAOYSA-N 0 0 407.470 4.031 20 30 HIEDRN CC1(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)Cc2ccccc2C1 ZINC000470550281 884963235 /nfs/dbraw/zinc/96/32/35/884963235.db2.gz WSNZCDFMMSAUNS-UHFFFAOYSA-N 0 0 416.525 4.196 20 30 HIEDRN C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1cccs1 ZINC000470554438 884968290 /nfs/dbraw/zinc/96/82/90/884968290.db2.gz AWPGYJDLYRWYKI-INIZCTEOSA-N 0 0 410.543 4.331 20 30 HIEDRN N#CCCN(C(=O)CNc1ccccc1NC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000470556608 884972099 /nfs/dbraw/zinc/97/20/99/884972099.db2.gz POEHADUUULTUCW-IBGZPJMESA-N 0 0 402.498 4.340 20 30 HIEDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470558215 884973155 /nfs/dbraw/zinc/97/31/55/884973155.db2.gz DCBIGYYGJLYAHH-QGZVFWFLSA-N 0 0 422.451 4.464 20 30 HIEDRN CCC1(CC)Oc2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2O1 ZINC000470559151 884975425 /nfs/dbraw/zinc/97/54/25/884975425.db2.gz ODEYORVWNNYZAJ-OAQYLSRUSA-N 0 0 407.470 4.451 20 30 HIEDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000470575445 884992472 /nfs/dbraw/zinc/99/24/72/884992472.db2.gz WWZHMZNUTLULCK-IFMALSPDSA-N 0 0 403.526 4.427 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 ZINC000503960787 912886041 /nfs/dbraw/zinc/88/60/41/912886041.db2.gz IQUKHQFMMGDDSG-UHFFFAOYSA-N 0 0 412.243 4.158 20 30 HIEDRN CCC1(CC)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[S@]1=O ZINC000470597955 885021736 /nfs/dbraw/zinc/02/17/36/885021736.db2.gz 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423.900 4.005 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)c(OC)c1 ZINC000472406027 887253699 /nfs/dbraw/zinc/25/36/99/887253699.db2.gz QOPNRJKPJUZHFJ-INIZCTEOSA-N 0 0 421.497 4.292 20 30 HIEDRN Cc1cc(NC(=O)COc2ccc3ccccc3c2Br)nn1CCC#N ZINC000504275740 913131531 /nfs/dbraw/zinc/13/15/31/913131531.db2.gz ZFSJPSIYSJSPBC-UHFFFAOYSA-N 0 0 413.275 4.038 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000504276621 913131750 /nfs/dbraw/zinc/13/17/50/913131750.db2.gz HNASDBQVWGTOQF-IBGZPJMESA-N 0 0 402.498 4.172 20 30 HIEDRN COCCCC[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000472454391 887307068 /nfs/dbraw/zinc/30/70/68/887307068.db2.gz GRGFUTPFPAGXGX-QFIPXVFZSA-N 0 0 424.520 4.087 20 30 HIEDRN N#Cc1cnc2c(F)cc(F)cc2c1N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000472480880 887343875 /nfs/dbraw/zinc/34/38/75/887343875.db2.gz XALYXEHVWHKCBP-INIZCTEOSA-N 0 0 420.398 4.209 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000472481891 887346184 /nfs/dbraw/zinc/34/61/84/887346184.db2.gz CMOSTCKYAGPRMQ-XMMPIXPASA-N 0 0 414.509 4.209 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000472513495 887383121 /nfs/dbraw/zinc/38/31/21/887383121.db2.gz JCICZLLSBYBHSP-OAHLLOKOSA-N 0 0 410.449 4.309 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000472535991 887409920 /nfs/dbraw/zinc/40/99/20/887409920.db2.gz KNDVPEFKEFZOHG-MAUKXSAKSA-N 0 0 402.267 4.157 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 ZINC000472540750 887416358 /nfs/dbraw/zinc/41/63/58/887416358.db2.gz UYIMVQWCIJOSIY-UHFFFAOYSA-N 0 0 413.568 4.366 20 30 HIEDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000472547182 887427430 /nfs/dbraw/zinc/42/74/30/887427430.db2.gz KMELEAGALALSCA-WBVHZDCISA-N 0 0 422.872 4.157 20 30 HIEDRN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472574078 887458629 /nfs/dbraw/zinc/45/86/29/887458629.db2.gz MDHFAAOIKUCQGC-MRVPVSSYSA-N 0 0 412.136 4.069 20 30 HIEDRN C[C@@H]1CN(CC#CCN2C[C@@H](c3ccsc3)O[C@@H](C)C2)C[C@H](c2ccsc2)O1 ZINC000472577158 887459885 /nfs/dbraw/zinc/45/98/85/887459885.db2.gz AKHWVDKVZXKRMZ-VVIORFSUSA-N 0 0 416.612 4.037 20 30 HIEDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000472731334 887577186 /nfs/dbraw/zinc/57/71/86/887577186.db2.gz YJIOPNLCAUEPNC-UHFFFAOYSA-N 0 0 406.336 4.299 20 30 HIEDRN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)nn1CCCOc1ccc(F)cc1 ZINC000504310838 913159861 /nfs/dbraw/zinc/15/98/61/913159861.db2.gz BNOKVUPIHQOYOA-QGZVFWFLSA-N 0 0 422.460 4.077 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](CC)CN1C(C)=O ZINC000472745869 887590867 /nfs/dbraw/zinc/59/08/67/887590867.db2.gz FQLJMXXEVCVLLQ-NXHRZFHOSA-N 0 0 402.564 4.334 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000472772467 887618780 /nfs/dbraw/zinc/61/87/80/887618780.db2.gz FBKHXFGYOZIJPC-AZUAARDMSA-N 0 0 419.506 4.365 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCCC2(CCC2)C1 ZINC000472801958 887646397 /nfs/dbraw/zinc/64/63/97/887646397.db2.gz FGIUSFJRZATJEF-UHFFFAOYSA-N 0 0 417.509 4.177 20 30 HIEDRN C=CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000472829296 887678476 /nfs/dbraw/zinc/67/84/76/887678476.db2.gz BCTUAWLQIDPFGD-FQEVSTJZSA-N 0 0 420.962 4.488 20 30 HIEDRN Cn1cc(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c2ccc(F)cc21 ZINC000472834656 887684940 /nfs/dbraw/zinc/68/49/40/887684940.db2.gz GAQXSSGAVBOTGV-YADHBBJMSA-N 0 0 404.489 4.341 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCO[C@@H](c3cccs3)C2)c1C#N ZINC000472838461 887690708 /nfs/dbraw/zinc/69/07/08/887690708.db2.gz VWBBMMKOBYCOQD-HXUWFJFHSA-N 0 0 420.538 4.039 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC)c2cccnc12 ZINC000472859039 887714116 /nfs/dbraw/zinc/71/41/16/887714116.db2.gz ZIVKLMMKBQGXKI-UHFFFAOYSA-N 0 0 403.482 4.177 20 30 HIEDRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000472875985 887727874 /nfs/dbraw/zinc/72/78/74/887727874.db2.gz OEZYYFSZWSIIMO-FQEVSTJZSA-N 0 0 417.553 4.491 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1coc(C2CCOCC2)n1 ZINC000472935849 887785856 /nfs/dbraw/zinc/78/58/56/887785856.db2.gz BTRRUYCWFKQGMM-UHFFFAOYSA-N 0 0 404.426 4.188 20 30 HIEDRN CCc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)o1 ZINC000472942039 887792253 /nfs/dbraw/zinc/79/22/53/887792253.db2.gz IPNXEHGRFDVNMJ-HXUWFJFHSA-N 0 0 410.518 4.370 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473033892 887856436 /nfs/dbraw/zinc/85/64/36/887856436.db2.gz HBDJDNQXWVNHCV-SJLPKXTDSA-N 0 0 411.502 4.222 20 30 HIEDRN CC(C)Sc1ccccc1NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000473142734 887926132 /nfs/dbraw/zinc/92/61/32/887926132.db2.gz KKWHHMTVMPHBNG-UHFFFAOYSA-N 0 0 423.538 4.067 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000473162942 887941381 /nfs/dbraw/zinc/94/13/81/887941381.db2.gz KGCRTGXLFWRXCA-NRFANRHFSA-N 0 0 404.491 4.412 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1nc2ccccc2n1C ZINC000473165968 887944455 /nfs/dbraw/zinc/94/44/55/887944455.db2.gz JQVUNJXPPXJTDS-MRXNPFEDSA-N 0 0 421.570 4.431 20 30 HIEDRN Cc1c(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1C(F)(F)F ZINC000473203096 887979059 /nfs/dbraw/zinc/97/90/59/887979059.db2.gz CGHPWHPYSJWOCI-LPHOPBHVSA-N 0 0 415.415 4.251 20 30 HIEDRN COCCC1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCC1 ZINC000473209055 887984986 /nfs/dbraw/zinc/98/49/86/887984986.db2.gz SINSECQPMWQCFA-UHFFFAOYSA-N 0 0 421.497 4.002 20 30 HIEDRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)[C@H]1c1cccc(F)c1 ZINC000473212102 887988263 /nfs/dbraw/zinc/98/82/63/887988263.db2.gz FUWXHSNHAQHFKK-HRAATJIYSA-N 0 0 409.461 4.056 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000473223743 887997406 /nfs/dbraw/zinc/99/74/06/887997406.db2.gz CREJJWWMIKXFBD-UHFFFAOYSA-N 0 0 421.375 4.075 20 30 HIEDRN Cc1cccnc1[C@@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)C(C)C ZINC000473352956 888078096 /nfs/dbraw/zinc/07/80/96/888078096.db2.gz DYYXRHLYTRPYFE-QHCPKHFHSA-N 0 0 411.505 4.242 20 30 HIEDRN C=CCCCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000473357795 888081769 /nfs/dbraw/zinc/08/17/69/888081769.db2.gz QNFZDBFJGZPGPO-UHFFFAOYSA-N 0 0 413.905 4.028 20 30 HIEDRN Cc1csc([C@@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C2CC2)n1 ZINC000473359921 888082310 /nfs/dbraw/zinc/08/23/10/888082310.db2.gz WSLAXRJNPSZNBT-NRFANRHFSA-N 0 0 415.518 4.057 20 30 HIEDRN Cc1cc(N[C@H](C)C(=O)Nc2ccccc2C#N)nn1CCCOc1ccc(F)cc1 ZINC000504389849 913212816 /nfs/dbraw/zinc/21/28/16/913212816.db2.gz ZUHZVEONAGNPIP-QGZVFWFLSA-N 0 0 421.476 4.111 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c1 ZINC000473413228 888131956 /nfs/dbraw/zinc/13/19/56/888131956.db2.gz JLJOCZJSSUFQLJ-LJQANCHMSA-N 0 0 402.454 4.007 20 30 HIEDRN C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000473424851 888143086 /nfs/dbraw/zinc/14/30/86/888143086.db2.gz ARBAETHXBDAJLM-BFUOFWGJSA-N 0 0 416.308 4.233 20 30 HIEDRN CCOc1ccc(C(=O)CCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1F ZINC000473436160 888155935 /nfs/dbraw/zinc/15/59/35/888155935.db2.gz IFMISNXRHLCILH-UHFFFAOYSA-N 0 0 424.472 4.129 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@H]1c1nccs1 ZINC000473439549 888160712 /nfs/dbraw/zinc/16/07/12/888160712.db2.gz GHYRZCFPARLWIH-ZBFHGGJFSA-N 0 0 418.613 4.266 20 30 HIEDRN Cc1c(Br)scc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000473443821 888164333 /nfs/dbraw/zinc/16/43/33/888164333.db2.gz VYMBWQJRFVRGOE-UHFFFAOYSA-N 0 0 405.317 4.374 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC2)cc1 ZINC000473445152 888165949 /nfs/dbraw/zinc/16/59/49/888165949.db2.gz RXAFPCXHDAEUQU-UHFFFAOYSA-N 0 0 423.472 4.237 20 30 HIEDRN N#Cc1c(NC(=O)CN2CCSC[C@H]2c2nccs2)sc2c1CCCCC2 ZINC000473446031 888168364 /nfs/dbraw/zinc/16/83/64/888168364.db2.gz YJEMZRAJAVREJK-HNNXBMFYSA-N 0 0 418.613 4.074 20 30 HIEDRN CCOc1cccc2[nH]cc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c21 ZINC000473449277 888173514 /nfs/dbraw/zinc/17/35/14/888173514.db2.gz ONLRYSOCTUSFNL-UHFFFAOYSA-N 0 0 403.482 4.051 20 30 HIEDRN C=CCn1c(SCC(=O)NC2CC(C)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000473453708 888178479 /nfs/dbraw/zinc/17/84/79/888178479.db2.gz IMARCZHMKBGUAG-UHFFFAOYSA-N 0 0 411.358 4.445 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000504399383 913219438 /nfs/dbraw/zinc/21/94/38/913219438.db2.gz QDJQVYGYSJYRBZ-UHFFFAOYSA-N 0 0 415.493 4.204 20 30 HIEDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000473523304 888258232 /nfs/dbraw/zinc/25/82/32/888258232.db2.gz IVHBLTUUCFIGDW-BEIWTESXSA-N 0 0 422.506 4.301 20 30 HIEDRN N#Cc1ccc(C2(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)CC2)cc1 ZINC000473523624 888260503 /nfs/dbraw/zinc/26/05/03/888260503.db2.gz SDRKLADJYPIGHS-UHFFFAOYSA-N 0 0 422.550 4.476 20 30 HIEDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000473533538 888270485 /nfs/dbraw/zinc/27/04/85/888270485.db2.gz OISUUOKBXXNBIX-GOTSBHOMSA-N 0 0 403.526 4.261 20 30 HIEDRN C=CCc1cc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc(OC)c1OC ZINC000473539324 888277951 /nfs/dbraw/zinc/27/79/51/888277951.db2.gz FFUIXASFQHWEKC-JMGYQRAPSA-N 0 0 401.528 4.003 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000473563099 888303321 /nfs/dbraw/zinc/30/33/21/888303321.db2.gz SRZSPKZZJHHOHG-FQEVSTJZSA-N 0 0 413.308 4.497 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCOCc2ccccc2)CC1 ZINC000473565661 888305557 /nfs/dbraw/zinc/30/55/57/888305557.db2.gz GBIRGTBMCKDDAK-QFIPXVFZSA-N 0 0 411.933 4.046 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000473565260 888306056 /nfs/dbraw/zinc/30/60/56/888306056.db2.gz WGXPAKJRBOHYNZ-OAHLLOKOSA-N 0 0 424.751 4.187 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000473568294 888309090 /nfs/dbraw/zinc/30/90/90/888309090.db2.gz LJXDGSYDMHSCDF-IEBWSBKVSA-N 0 0 417.987 4.141 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000473570058 888309945 /nfs/dbraw/zinc/30/99/45/888309945.db2.gz LANDAEWZXWDYDT-SFHVURJKSA-N 0 0 424.844 4.017 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000473569615 888310824 /nfs/dbraw/zinc/31/08/24/888310824.db2.gz JRSWKACXQNAZEF-KRWDZBQOSA-N 0 0 408.354 4.397 20 30 HIEDRN CC(C)OCc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000473573759 888314539 /nfs/dbraw/zinc/31/45/39/888314539.db2.gz JHRUBQARZJLARK-JOCHJYFZSA-N 0 0 411.933 4.288 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000473575190 888316301 /nfs/dbraw/zinc/31/63/01/888316301.db2.gz LVPOOPGTTCVANP-FGTMMUONSA-N 0 0 413.871 4.418 20 30 HIEDRN Cc1onc(-c2ccccc2)c1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473576484 888317381 /nfs/dbraw/zinc/31/73/81/888317381.db2.gz VIPUNHZJFMMDOV-FQEVSTJZSA-N 0 0 420.900 4.326 20 30 HIEDRN Cn1cc([C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C(C)(C)C)cn1 ZINC000473575815 888317663 /nfs/dbraw/zinc/31/76/63/888317663.db2.gz SKBNDCCRJDBJNV-JOCHJYFZSA-N 0 0 402.498 4.388 20 30 HIEDRN Cc1onc(-c2ccccc2)c1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473576485 888318092 /nfs/dbraw/zinc/31/80/92/888318092.db2.gz VIPUNHZJFMMDOV-HXUWFJFHSA-N 0 0 420.900 4.326 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC1 ZINC000473576173 888318161 /nfs/dbraw/zinc/31/81/61/888318161.db2.gz JABXFPAOXDAABV-GMAHTHKFSA-N 0 0 423.944 4.257 20 30 HIEDRN Cc1nc(-c2ccco2)ccc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473578999 888320786 /nfs/dbraw/zinc/32/07/86/888320786.db2.gz UCCWZGAKJXVEIH-OAQYLSRUSA-N 0 0 420.900 4.326 20 30 HIEDRN Cc1ccc(SC[C@@H](C)NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 ZINC000473618270 888358764 /nfs/dbraw/zinc/35/87/64/888358764.db2.gz OABLPTFHJROIRG-MRXNPFEDSA-N 0 0 413.568 4.236 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC(C(N)=O)CC3)cc2Cl)cc1 ZINC000473629746 888369088 /nfs/dbraw/zinc/36/90/88/888369088.db2.gz KJQCNJLRPKBGKC-UHFFFAOYSA-N 0 0 412.877 4.170 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000473655926 888405645 /nfs/dbraw/zinc/40/56/45/888405645.db2.gz GEAODUQWYRELGR-UHFFFAOYSA-N 0 0 412.396 4.033 20 30 HIEDRN N#Cc1ccc(C2(C(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000473684206 888454713 /nfs/dbraw/zinc/45/47/13/888454713.db2.gz TYDUZNDPZXPTLZ-IBGZPJMESA-N 0 0 401.293 4.497 20 30 HIEDRN COc1c(Cl)cc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc1Cl ZINC000473694141 888467560 /nfs/dbraw/zinc/46/75/60/888467560.db2.gz SMBAYJXVUIDNMT-KRWDZBQOSA-N 0 0 418.280 4.003 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000473736304 888515222 /nfs/dbraw/zinc/51/52/22/888515222.db2.gz ABRFXOZXNFFAPH-HNNXBMFYSA-N 0 0 407.276 4.082 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1nnc(C(C)C)o1 ZINC000473736708 888515771 /nfs/dbraw/zinc/51/57/71/888515771.db2.gz WACJMVYPNWOCQZ-UHFFFAOYSA-N 0 0 410.287 4.242 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 ZINC000504443096 913253626 /nfs/dbraw/zinc/25/36/26/913253626.db2.gz QHYWINGIJPRXMJ-OAHLLOKOSA-N 0 0 413.424 4.231 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CC=C(c4c(F)cccc4F)CC3)n2)c(F)c1 ZINC000473770643 888568165 /nfs/dbraw/zinc/56/81/65/888568165.db2.gz MELUAMYUMLWSHW-UHFFFAOYSA-N 0 0 423.398 4.482 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SCc1nccc(OC)c1OC ZINC000473790812 888604654 /nfs/dbraw/zinc/60/46/54/888604654.db2.gz HQVXBNKIKSKWMZ-UHFFFAOYSA-N 0 0 412.515 4.056 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000473816753 888643776 /nfs/dbraw/zinc/64/37/76/888643776.db2.gz HUGLJXSCRDUJFL-CVEARBPZSA-N 0 0 406.515 4.402 20 30 HIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000473836719 888673903 /nfs/dbraw/zinc/67/39/03/888673903.db2.gz MWPJBERPPAAJAX-NRFANRHFSA-N 0 0 423.481 4.106 20 30 HIEDRN N#Cc1ccc(C2(C(=O)N3CCO[C@@H](c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000473859940 888712324 /nfs/dbraw/zinc/71/23/24/888712324.db2.gz PXDGIPIGERGXJM-LJQANCHMSA-N 0 0 400.400 4.209 20 30 HIEDRN CCN(C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2C)C1)CC(F)(F)F ZINC000473861950 888716063 /nfs/dbraw/zinc/71/60/63/888716063.db2.gz XLSQHIZDGWROBD-GFCCVEGCSA-N 0 0 414.365 4.499 20 30 HIEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000473924455 888803629 /nfs/dbraw/zinc/80/36/29/888803629.db2.gz USOKUCCOYUAMPH-IBGZPJMESA-N 0 0 415.415 4.061 20 30 HIEDRN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000474072292 888899864 /nfs/dbraw/zinc/89/98/64/888899864.db2.gz CBUXIVXEHLQNQM-UHFFFAOYSA-N 0 0 413.543 4.079 20 30 HIEDRN CCN(CC)S(=O)(=O)c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1C ZINC000474075791 888901600 /nfs/dbraw/zinc/90/16/00/888901600.db2.gz QEOMEONMQFKGKS-LJQANCHMSA-N 0 0 413.543 4.052 20 30 HIEDRN CCN1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474153880 888985317 /nfs/dbraw/zinc/98/53/17/888985317.db2.gz MLGHWKAMOBGLNB-RTWAWAEBSA-N 0 0 411.908 4.334 20 30 HIEDRN N#Cc1ccc(C2(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000474166154 889003844 /nfs/dbraw/zinc/00/38/44/889003844.db2.gz ZVXHQZKKVODAKS-MRXNPFEDSA-N 0 0 400.309 4.292 20 30 HIEDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000474174386 889013350 /nfs/dbraw/zinc/01/33/50/889013350.db2.gz KTQCDIGQOZDGAX-PBHICJAKSA-N 0 0 408.445 4.219 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000474187372 889025433 /nfs/dbraw/zinc/02/54/33/889025433.db2.gz DFDWOLFNEJNNRX-QGZVFWFLSA-N 0 0 421.806 4.360 20 30 HIEDRN Cn1ncc(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)c1C#N ZINC000474204985 889043437 /nfs/dbraw/zinc/04/34/37/889043437.db2.gz TZPZSAITWQUHIV-UHFFFAOYSA-N 0 0 413.300 4.458 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000474206273 889044750 /nfs/dbraw/zinc/04/47/50/889044750.db2.gz NRGNOGHKGHAVOQ-INIZCTEOSA-N 0 0 409.983 4.280 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCc3ccccc3[C@H]2CO)c1C#N ZINC000474265283 889125619 /nfs/dbraw/zinc/12/56/19/889125619.db2.gz GQDUPSAOHRKPMN-HSZRJFAPSA-N 0 0 420.557 4.012 20 30 HIEDRN C[C@]1(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CCCc2ccccc21 ZINC000504539079 913317534 /nfs/dbraw/zinc/31/75/34/913317534.db2.gz BQKHTGBNHOOWEY-SANMLTNESA-N 0 0 410.521 4.049 20 30 HIEDRN CCc1c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1-c1ccc(Cl)cc1 ZINC000474359574 889236506 /nfs/dbraw/zinc/23/65/06/889236506.db2.gz YZCURSQTOXIFRF-QFIPXVFZSA-N 0 0 420.900 4.173 20 30 HIEDRN N#CC1(CS(=O)(=O)N(Cc2cccc(Br)c2)CC2CC2)CCCC1 ZINC000474387179 889258589 /nfs/dbraw/zinc/25/85/89/889258589.db2.gz ZXZCFLJWIKTCCD-UHFFFAOYSA-N 0 0 411.365 4.075 20 30 HIEDRN Cc1nc(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)ccc1C#N ZINC000504554301 913327953 /nfs/dbraw/zinc/32/79/53/913327953.db2.gz SYSPQYNIGRSWKW-INIZCTEOSA-N 0 0 402.317 4.333 20 30 HIEDRN CCc1c[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)n1 ZINC000474401086 889268424 /nfs/dbraw/zinc/26/84/24/889268424.db2.gz CIIMWUCXPLRADD-UHFFFAOYSA-N 0 0 411.506 4.180 20 30 HIEDRN Cc1nc(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)ccc1C#N ZINC000504554302 913328299 /nfs/dbraw/zinc/32/82/99/913328299.db2.gz SYSPQYNIGRSWKW-MRXNPFEDSA-N 0 0 402.317 4.333 20 30 HIEDRN N#CC[C@@H](CC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000474424677 889289225 /nfs/dbraw/zinc/28/92/25/889289225.db2.gz DIWZYSZPXGGVMZ-RXVVDRJESA-N 0 0 406.486 4.013 20 30 HIEDRN C=C(C)COCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000474426840 889290841 /nfs/dbraw/zinc/29/08/41/889290841.db2.gz LZQQDGNOCIWDFH-IBGZPJMESA-N 0 0 403.866 4.110 20 30 HIEDRN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cnn(C)c2C#N)cc1C ZINC000474427559 889292699 /nfs/dbraw/zinc/29/26/99/889292699.db2.gz BOUDLRYPROMZGR-UHFFFAOYSA-N 0 0 424.508 4.034 20 30 HIEDRN CC(C)c1csc([C@H](C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)n1 ZINC000474449062 889316295 /nfs/dbraw/zinc/31/62/95/889316295.db2.gz TXQRQJQSDXLSOK-LLVKDONJSA-N 0 0 407.289 4.290 20 30 HIEDRN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@H]1C ZINC000474491882 889351332 /nfs/dbraw/zinc/35/13/32/889351332.db2.gz DHAWFKDCZPMHKQ-OXQOHEQNSA-N 0 0 407.470 4.322 20 30 HIEDRN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1C ZINC000474498826 889359674 /nfs/dbraw/zinc/35/96/74/889359674.db2.gz UTOOJMPVXNJBOQ-DYESRHJHSA-N 0 0 421.497 4.109 20 30 HIEDRN C=CCC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000474506369 889368472 /nfs/dbraw/zinc/36/84/72/889368472.db2.gz QMAOXWHFJIQRBE-LJQANCHMSA-N 0 0 415.415 4.131 20 30 HIEDRN N#CCC[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000474523760 889394397 /nfs/dbraw/zinc/39/43/97/889394397.db2.gz ZGTRTXWRLKWFBR-MRXNPFEDSA-N 0 0 411.914 4.446 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000474527703 889398339 /nfs/dbraw/zinc/39/83/39/889398339.db2.gz NTYJPNSKPAPQBR-ZRBLBEILSA-N 0 0 407.489 4.367 20 30 HIEDRN CC[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000474529866 889401696 /nfs/dbraw/zinc/40/16/96/889401696.db2.gz YCWWIRDVYIWJMG-SFHVURJKSA-N 0 0 411.477 4.108 20 30 HIEDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504585478 913345219 /nfs/dbraw/zinc/34/52/19/913345219.db2.gz NDTJENIPRQKLIK-XCLFUZPHSA-N 0 0 421.335 4.156 20 30 HIEDRN N#Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)ccn1 ZINC000474591034 889459991 /nfs/dbraw/zinc/45/99/91/889459991.db2.gz DKPUZVWURPHJOU-IBGZPJMESA-N 0 0 421.382 4.368 20 30 HIEDRN Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)c2)n[nH]1 ZINC000474634508 889496105 /nfs/dbraw/zinc/49/61/05/889496105.db2.gz DSVIAAZWSOGYPQ-QHCPKHFHSA-N 0 0 423.476 4.354 20 30 HIEDRN N#Cc1c(NC(=O)Cn2cc(-c3ccccc3)nn2)sc2c1-c1ccccc1CC2 ZINC000474646325 889507121 /nfs/dbraw/zinc/50/71/21/889507121.db2.gz VIPSUQHZQRRHCS-UHFFFAOYSA-N 0 0 411.490 4.283 20 30 HIEDRN Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c(OC(C)C)c1 ZINC000474673066 889537263 /nfs/dbraw/zinc/53/72/63/889537263.db2.gz MYDOLJYKKLODOB-UHFFFAOYSA-N 0 0 406.530 4.076 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000474675375 889540455 /nfs/dbraw/zinc/54/04/55/889540455.db2.gz IZSDBCSXRWLJQO-HNNXBMFYSA-N 0 0 406.511 4.482 20 30 HIEDRN C=CCCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000474681533 889545376 /nfs/dbraw/zinc/54/53/76/889545376.db2.gz ZTDVVDBEMXURPG-QGZVFWFLSA-N 0 0 411.315 4.055 20 30 HIEDRN N#Cc1cc(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)ccn1 ZINC000474699007 889557555 /nfs/dbraw/zinc/55/75/55/889557555.db2.gz QVSADNSNIUWIRC-UHFFFAOYSA-N 0 0 422.941 4.293 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1 ZINC000474709478 889568873 /nfs/dbraw/zinc/56/88/73/889568873.db2.gz NOPPKPHLNNXMCA-OAQYLSRUSA-N 0 0 410.493 4.126 20 30 HIEDRN COc1ccc([C@H]2C[C@H](NC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)cc1F ZINC000504619830 913372286 /nfs/dbraw/zinc/37/22/86/913372286.db2.gz GEFXSLVBYRECCK-IYBDPMFKSA-N 0 0 423.423 4.098 20 30 HIEDRN COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000474852829 889709383 /nfs/dbraw/zinc/70/93/83/889709383.db2.gz LNRTWHRVLSLCGL-IBGZPJMESA-N 0 0 423.904 4.119 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000474871616 889726235 /nfs/dbraw/zinc/72/62/35/889726235.db2.gz YHSUSLUOHSCVRP-UHFFFAOYSA-N 0 0 408.481 4.319 20 30 HIEDRN C=CCN(Cc1cnc2ccc(Br)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512379457 921116443 /nfs/dbraw/zinc/11/64/43/921116443.db2.gz IYHKQSNBNMITDD-UHFFFAOYSA-N 0 0 401.264 4.193 20 30 HIEDRN CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cs1 ZINC000474903270 889762329 /nfs/dbraw/zinc/76/23/29/889762329.db2.gz SIIIQIOQHCBVGU-UHFFFAOYSA-N 0 0 410.587 4.200 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000475018849 889871634 /nfs/dbraw/zinc/87/16/34/889871634.db2.gz UFXMXTPZHWXFSK-JOCHJYFZSA-N 0 0 420.488 4.135 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)Nc3ccccc3OCC(F)F)CC2)c1 ZINC000475038343 889890757 /nfs/dbraw/zinc/89/07/57/889890757.db2.gz BLVYEFQLPSZZED-UHFFFAOYSA-N 0 0 401.413 4.277 20 30 HIEDRN N#Cc1ccc(CNC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000475060211 889904949 /nfs/dbraw/zinc/90/49/49/889904949.db2.gz LRDZDJPIGYKHSJ-SFHVURJKSA-N 0 0 402.267 4.410 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)c3cc4cccc(F)c4o3)C2)n1 ZINC000475070726 889916274 /nfs/dbraw/zinc/91/62/74/889916274.db2.gz UKDQIKFUTSSSJZ-MAUKXSAKSA-N 0 0 406.461 4.241 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000475164974 890030517 /nfs/dbraw/zinc/03/05/17/890030517.db2.gz PPFWXCQDHWIOOZ-UHFFFAOYSA-N 0 0 405.498 4.391 20 30 HIEDRN Cn1ncc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)c1C#N ZINC000475176007 890043564 /nfs/dbraw/zinc/04/35/64/890043564.db2.gz NMCNEYDQTHSRJT-UHFFFAOYSA-N 0 0 404.323 4.494 20 30 HIEDRN COc1cccc([C@@H](NCC(=O)Nc2cccc(C#N)c2)c2cc(F)ccc2OC)c1 ZINC000475180389 890050138 /nfs/dbraw/zinc/05/01/38/890050138.db2.gz YKNZMUHZWAYRRJ-XMMPIXPASA-N 0 0 419.456 4.032 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000475198360 890068611 /nfs/dbraw/zinc/06/86/11/890068611.db2.gz WNXWTDQLMCAHMC-UHFFFAOYSA-N 0 0 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CC(C)COC[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000487971498 902497862 /nfs/dbraw/zinc/49/78/62/902497862.db2.gz VZCZAZODPASBQM-MRXNPFEDSA-N 0 0 406.280 4.449 20 30 HIEDRN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487982479 902504529 /nfs/dbraw/zinc/50/45/29/902504529.db2.gz GLMJUIVUCPMFTD-NSHDSACASA-N 0 0 401.264 4.162 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1Br ZINC000487986360 902509793 /nfs/dbraw/zinc/50/97/93/902509793.db2.gz UETACOJHQJJGJB-INIZCTEOSA-N 0 0 424.302 4.367 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1Br ZINC000488004945 902524795 /nfs/dbraw/zinc/52/47/95/902524795.db2.gz IAFCTQJUWAAIMM-SFHVURJKSA-N 0 0 414.303 4.186 20 30 HIEDRN C[C@H](CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](C)CO)c1ccccc1 ZINC000488009669 902528737 /nfs/dbraw/zinc/52/87/37/902528737.db2.gz UVFIUGRUPHUGRL-CABCVRRESA-N 0 0 416.319 4.339 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CN2CCCCCCC2=O)cc1 ZINC000488009111 902528903 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4.180 20 30 HIEDRN COc1ccc(CNC(=O)CNc2ccc(Oc3ccccc3)c(C#N)c2)cc1OC ZINC000488205254 902687857 /nfs/dbraw/zinc/68/78/57/902687857.db2.gz ZBWCDOBBRFCZGQ-UHFFFAOYSA-N 0 0 417.465 4.096 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000488210730 902692723 /nfs/dbraw/zinc/69/27/23/902692723.db2.gz SJNKMDCUZSWTLP-SJKOYZFVSA-N 0 0 411.315 4.017 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000488210728 902693031 /nfs/dbraw/zinc/69/30/31/902693031.db2.gz SJNKMDCUZSWTLP-PXAZEXFGSA-N 0 0 411.315 4.017 20 30 HIEDRN Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1C(C)C ZINC000488216026 902697586 /nfs/dbraw/zinc/69/75/86/902697586.db2.gz AGRVBPXZKXZTHZ-UHFFFAOYSA-N 0 0 400.552 4.303 20 30 HIEDRN Cc1cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)nn1-c1cccc(C#N)c1 ZINC000488239316 902715380 /nfs/dbraw/zinc/71/53/80/902715380.db2.gz XAXYZMKQOFGGBW-UHFFFAOYSA-N 0 0 415.497 4.094 20 30 HIEDRN Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C(C)C ZINC000488251005 902724526 /nfs/dbraw/zinc/72/45/26/902724526.db2.gz LGWCLZFSHGXQND-GFCCVEGCSA-N 0 0 403.577 4.489 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000488261975 902732665 /nfs/dbraw/zinc/73/26/65/902732665.db2.gz XHROYONRVJYWRA-HXUWFJFHSA-N 0 0 419.447 4.280 20 30 HIEDRN CC1CCN(c2nnc(SCc3cccc(F)c3C#N)n2Cc2ccco2)CC1 ZINC000488295796 902757563 /nfs/dbraw/zinc/75/75/63/902757563.db2.gz QGUCFMVKHWOTOD-UHFFFAOYSA-N 0 0 411.506 4.459 20 30 HIEDRN C=CCn1c(SC[C@@H](O)CSC)nc2scc(-c3ccccc3)c2c1=O ZINC000488341166 902776039 /nfs/dbraw/zinc/77/60/39/902776039.db2.gz BMGIIFLRSUOJKQ-AWEZNQCLSA-N 0 0 404.582 4.127 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000488345012 902779351 /nfs/dbraw/zinc/77/93/51/902779351.db2.gz CPGQFSLAOVWGKJ-CQSZACIVSA-N 0 0 404.289 4.298 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2ccc(C#N)cc2)cc1OC ZINC000488346686 902779736 /nfs/dbraw/zinc/77/97/36/902779736.db2.gz KHMWOFWJJWKUTP-UHFFFAOYSA-N 0 0 420.534 4.451 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000488410727 902814969 /nfs/dbraw/zinc/81/49/69/902814969.db2.gz ZZFIJNMQYRFGNF-UHFFFAOYSA-N 0 0 401.923 4.131 20 30 HIEDRN C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cc(Cl)ccc1Cl ZINC000488478198 902846613 /nfs/dbraw/zinc/84/66/13/902846613.db2.gz BASNCUYZCJJWCG-IUODEOHRSA-N 0 0 405.285 4.184 20 30 HIEDRN C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cc(Cl)ccc1Cl ZINC000488478196 902846616 /nfs/dbraw/zinc/84/66/16/902846616.db2.gz BASNCUYZCJJWCG-DOMZBBRYSA-N 0 0 405.285 4.184 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2ccc(F)c(F)c2)c1C#N ZINC000488496080 902855162 /nfs/dbraw/zinc/85/51/62/902855162.db2.gz RATYMODHVDWMPR-UHFFFAOYSA-N 0 0 400.473 4.440 20 30 HIEDRN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500073 902857092 /nfs/dbraw/zinc/85/70/92/902857092.db2.gz OWQSTAHUCNQAFW-BUXKBTBVSA-N 0 0 406.288 4.456 20 30 HIEDRN C=CCn1cccc1C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000488551343 902880267 /nfs/dbraw/zinc/88/02/67/902880267.db2.gz SOWACZVOZJJDBE-UHFFFAOYSA-N 0 0 405.454 4.196 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2ccc(F)cc2OC2CCOCC2)C2CC2)cc1 ZINC000488692482 902945847 /nfs/dbraw/zinc/94/58/47/902945847.db2.gz CPGNCWZSSBEJFS-UHFFFAOYSA-N 0 0 409.461 4.452 20 30 HIEDRN C=CCn1cccc1C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000488770730 902987349 /nfs/dbraw/zinc/98/73/49/902987349.db2.gz PSYFOJQFUOGFPL-QHCPKHFHSA-N 0 0 422.550 4.214 20 30 HIEDRN C[C@@](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000488780982 902995663 /nfs/dbraw/zinc/99/56/63/902995663.db2.gz IJYBRJXCYMXKDH-QHCPKHFHSA-N 0 0 419.868 4.134 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1cc(CS(C)(=O)=O)ccc1OC)c1ccccc1 ZINC000488792294 903002589 /nfs/dbraw/zinc/00/25/89/903002589.db2.gz AJHZMEQDXYLZPQ-SFHVURJKSA-N 0 0 402.516 4.069 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)nn1 ZINC000488800697 903006104 /nfs/dbraw/zinc/00/61/04/903006104.db2.gz OIVLFHXHCGWQGU-LLVKDONJSA-N 0 0 412.462 4.478 20 30 HIEDRN COc1ccc(Cn2ccnc2S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000488807361 903011784 /nfs/dbraw/zinc/01/17/84/903011784.db2.gz HRURGNCCGJFFEC-SFHVURJKSA-N 0 0 420.538 4.367 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000488831053 903029848 /nfs/dbraw/zinc/02/98/48/903029848.db2.gz VBXKTWCYRQABRT-UHFFFAOYSA-N 0 0 400.397 4.315 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000488836604 903032797 /nfs/dbraw/zinc/03/27/97/903032797.db2.gz JNRFYRVGZLFBSB-ZDUSSCGKSA-N 0 0 403.573 4.076 20 30 HIEDRN C[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000488846824 903040704 /nfs/dbraw/zinc/04/07/04/903040704.db2.gz VJZCXVYBBWHGHR-SNVBAGLBSA-N 0 0 404.904 4.366 20 30 HIEDRN C=CCn1c(SCCCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccccn1 ZINC000488890922 903061655 /nfs/dbraw/zinc/06/16/55/903061655.db2.gz ALKUWSLHGLQGPE-UHFFFAOYSA-N 0 0 421.526 4.240 20 30 HIEDRN C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cnccn1 ZINC000488896121 903064072 /nfs/dbraw/zinc/06/40/72/903064072.db2.gz XUUSUAWAKHUECO-HNNXBMFYSA-N 0 0 419.514 4.441 20 30 HIEDRN C=CCn1c(S[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)nnc1-c1cnccn1 ZINC000488896123 903064503 /nfs/dbraw/zinc/06/45/03/903064503.db2.gz XUUSUAWAKHUECO-OAHLLOKOSA-N 0 0 419.514 4.441 20 30 HIEDRN N#Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 ZINC000488903034 903068171 /nfs/dbraw/zinc/06/81/71/903068171.db2.gz SDBCAOFLCFQDRO-UHFFFAOYSA-N 0 0 418.526 4.448 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1cnccn1 ZINC000488904099 903069176 /nfs/dbraw/zinc/06/91/76/903069176.db2.gz ZJKVFSHOCKXSIZ-ZDUSSCGKSA-N 0 0 414.922 4.002 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cnccn1 ZINC000488914769 903074022 /nfs/dbraw/zinc/07/40/22/903074022.db2.gz SDTGBKUOWLERBL-MRXNPFEDSA-N 0 0 422.558 4.472 20 30 HIEDRN N#C[C@@H]1CN(C(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)C[C@H]1c1ccccc1 ZINC000488940277 903088954 /nfs/dbraw/zinc/08/89/54/903088954.db2.gz OSWLAEINVIPOER-JPYJTQIMSA-N 0 0 416.456 4.462 20 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903170038 /nfs/dbraw/zinc/17/00/38/903170038.db2.gz HRIWVXNWZVGBOC-AUUYWEPGSA-N 0 0 415.415 4.357 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489120481 903210896 /nfs/dbraw/zinc/21/08/96/903210896.db2.gz SZQXYYZNLMRIDK-CYBMUJFWSA-N 0 0 401.488 4.169 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)N(C)C)C(C)C)nnc1-c1ccc(Br)cc1 ZINC000489126111 903216540 /nfs/dbraw/zinc/21/65/40/903216540.db2.gz JIBZAEQXLVCBGI-OAHLLOKOSA-N 0 0 423.380 4.099 20 30 HIEDRN CCOC(=O)c1c(NC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)c(C#N)cn1CCOC ZINC000489146965 903233050 /nfs/dbraw/zinc/23/30/50/903233050.db2.gz CTRGKWQCWANXBZ-IAGOWNOFSA-N 0 0 423.513 4.111 20 30 HIEDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000489168763 903242071 /nfs/dbraw/zinc/24/20/71/903242071.db2.gz DSPPCUFJQXTEMZ-UHFFFAOYSA-N 0 0 415.471 4.244 20 30 HIEDRN C=CCCCS(=O)(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000489246432 903284244 /nfs/dbraw/zinc/28/42/44/903284244.db2.gz CNXOFZGSHHIDRA-UHFFFAOYSA-N 0 0 417.506 4.124 20 30 HIEDRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1c(F)c(F)cc(F)c1F ZINC000489301177 903319459 /nfs/dbraw/zinc/31/94/59/903319459.db2.gz RASDCFJNGQVLTA-UHFFFAOYSA-N 0 0 404.245 4.095 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1CC ZINC000489386279 903358004 /nfs/dbraw/zinc/35/80/04/903358004.db2.gz JTUVAKWFBRLBBD-OAHLLOKOSA-N 0 0 413.572 4.117 20 30 HIEDRN CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1-c1ccccn1 ZINC000489388209 903359796 /nfs/dbraw/zinc/35/97/96/903359796.db2.gz MNPKHQUAOYKSSR-UHFFFAOYSA-N 0 0 416.510 4.203 20 30 HIEDRN C=C(C)Cn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 ZINC000489394577 903363729 /nfs/dbraw/zinc/36/37/29/903363729.db2.gz DCNDANLRMPCHHO-AWEZNQCLSA-N 0 0 404.499 4.418 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nnc1-c1cccs1 ZINC000489432647 903381631 /nfs/dbraw/zinc/38/16/31/903381631.db2.gz QXAVYCAULVRPKR-HNNXBMFYSA-N 0 0 410.568 4.258 20 30 HIEDRN C=C(C)Cn1c(S[C@@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)nnc1-c1ccncc1 ZINC000489439422 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20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1c[nH]c2ccccc21 ZINC000489666459 903529243 /nfs/dbraw/zinc/52/92/43/903529243.db2.gz KXWJNSHNSGRAFH-UHFFFAOYSA-N 0 0 404.495 4.499 20 30 HIEDRN C=CC[C@H](C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 ZINC000489697284 903545039 /nfs/dbraw/zinc/54/50/39/903545039.db2.gz MGBQZOHIFQBESJ-ZDUSSCGKSA-N 0 0 401.260 4.078 20 30 HIEDRN CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)c(Cl)c1 ZINC000489718242 903556427 /nfs/dbraw/zinc/55/64/27/903556427.db2.gz IADBBQKVHHWCMC-UHFFFAOYSA-N 0 0 409.873 4.031 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3OC)o2)cc1 ZINC000489750004 903576285 /nfs/dbraw/zinc/57/62/85/903576285.db2.gz YQHLXVPEZGSFCH-CQSZACIVSA-N 0 0 411.483 4.429 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccccc3C)o2)cc1 ZINC000489791967 903601214 /nfs/dbraw/zinc/60/12/14/903601214.db2.gz NERROUMLNXCJBI-MRXNPFEDSA-N 0 0 409.511 4.407 20 30 HIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)s3)o2)cc1 ZINC000489812206 903608624 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HIEDRN CCC(CC)(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000490245366 903850593 /nfs/dbraw/zinc/85/05/93/903850593.db2.gz KKKKXXMWMNKDRD-OAQYLSRUSA-N 0 0 423.944 4.187 20 30 HIEDRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000490266633 903864439 /nfs/dbraw/zinc/86/44/39/903864439.db2.gz BXHDEFNJEMULOJ-SFHVURJKSA-N 0 0 407.514 4.180 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289101 903877201 /nfs/dbraw/zinc/87/72/01/903877201.db2.gz PKDKFWRFHBIVIP-IFMALSPDSA-N 0 0 415.509 4.269 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000490302622 903890869 /nfs/dbraw/zinc/89/08/69/903890869.db2.gz YCTHGGUEAPYRKW-BGYRXZFFSA-N 0 0 424.541 4.319 20 30 HIEDRN Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1N1CCNC1=O ZINC000490311651 903893102 /nfs/dbraw/zinc/89/31/02/903893102.db2.gz VNBFDHGBCLIFRU-UHFFFAOYSA-N 0 0 405.502 4.086 20 30 HIEDRN CCN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)C[C@H](C)C#N 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N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000490522186 904071039 /nfs/dbraw/zinc/07/10/39/904071039.db2.gz SLBABEFNGBHMCA-OAHLLOKOSA-N 0 0 413.351 4.420 20 30 HIEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000490543182 904089142 /nfs/dbraw/zinc/08/91/42/904089142.db2.gz ZMYYADVGTFAVQW-QGZVFWFLSA-N 0 0 410.923 4.047 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cc1 ZINC000490622659 904142513 /nfs/dbraw/zinc/14/25/13/904142513.db2.gz PSRZNSVXAZUGSR-FQEVSTJZSA-N 0 0 413.493 4.357 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)c1ccc(Cl)c(I)c1 ZINC000490628928 904146090 /nfs/dbraw/zinc/14/60/90/904146090.db2.gz HSFPRHJUWNTBLZ-UHFFFAOYSA-N 0 0 414.630 4.094 20 30 HIEDRN CCn1c(NC(=O)c2cccc(COc3ccc(C)nc3)c2)nc2cc(C#N)ccc21 ZINC000490742032 904202500 /nfs/dbraw/zinc/20/25/00/904202500.db2.gz DHUSAPCSELCHFQ-UHFFFAOYSA-N 0 0 411.465 4.463 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000490768440 904220754 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CCn1c(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)nc2cc(C#N)ccc21 ZINC000490773103 904225450 /nfs/dbraw/zinc/22/54/50/904225450.db2.gz KRUISVXNADZPFZ-UHFFFAOYSA-N 0 0 413.437 4.334 20 30 HIEDRN CCn1c(NC(=O)c2ccc(COc3ccccc3C#N)o2)nc2cc(C#N)ccc21 ZINC000490794306 904240213 /nfs/dbraw/zinc/24/02/13/904240213.db2.gz MMIQGEIDGUDLDB-UHFFFAOYSA-N 0 0 411.421 4.224 20 30 HIEDRN Cc1sc2ncnc(SCCC(=O)N[C@@H](C#N)c3ccc(F)cc3)c2c1C ZINC000506086628 914793953 /nfs/dbraw/zinc/79/39/53/914793953.db2.gz NYINTEQXIBDZJF-HNNXBMFYSA-N 0 0 400.504 4.311 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000490821768 904266573 /nfs/dbraw/zinc/26/65/73/904266573.db2.gz BQSQGZPJMPDISM-UHFFFAOYSA-N 0 0 404.861 4.328 20 30 HIEDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000490826834 904270609 /nfs/dbraw/zinc/27/06/09/904270609.db2.gz MLSAHKGPKXKEPN-HSZRJFAPSA-N 0 0 424.566 4.350 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000490873114 904299207 /nfs/dbraw/zinc/29/92/07/904299207.db2.gz QKQIDMVMEUHBER-IBGZPJMESA-N 0 0 406.452 4.199 20 30 HIEDRN N#CCc1cccc(C(=O)Nc2nc3ccc(I)cc3s2)c1 ZINC000490905064 904312007 /nfs/dbraw/zinc/31/20/07/904312007.db2.gz AMIOCSIVADUQBQ-UHFFFAOYSA-N 0 0 419.247 4.219 20 30 HIEDRN CCn1c(NC(=O)c2occc2COc2cccc(C#N)c2)nc2ccc(F)cc21 ZINC000490951945 904331889 /nfs/dbraw/zinc/33/18/89/904331889.db2.gz DGHDTBADIXEBHH-UHFFFAOYSA-N 0 0 404.401 4.491 20 30 HIEDRN CCCS(=O)(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1C ZINC000491003526 904362808 /nfs/dbraw/zinc/36/28/08/904362808.db2.gz FJJCDGNDKILFFF-UHFFFAOYSA-N 0 0 423.542 4.031 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000491028623 904379378 /nfs/dbraw/zinc/37/93/78/904379378.db2.gz PXXGEOHZKLCSBK-VQTJNVASSA-N 0 0 408.523 4.238 20 30 HIEDRN C=C(CNC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1 ZINC000491030737 904382341 /nfs/dbraw/zinc/38/23/41/904382341.db2.gz MBOWEJBPFVPDSY-LJQANCHMSA-N 0 0 406.530 4.017 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1C(F)(F)F ZINC000491071156 904410269 /nfs/dbraw/zinc/41/02/69/904410269.db2.gz VXISBFYKTLMVFK-GOSISDBHSA-N 0 0 413.355 4.014 20 30 HIEDRN COc1ccccc1-c1ncc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 ZINC000491310880 904530449 /nfs/dbraw/zinc/53/04/49/904530449.db2.gz SQRQBUDXVRAZQG-UHFFFAOYSA-N 0 0 416.872 4.475 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2nnc3n2CCCC3)cc1Cl ZINC000506145929 914823525 /nfs/dbraw/zinc/82/35/25/914823525.db2.gz XGWNQVLEUDHKHX-GOSISDBHSA-N 0 0 420.904 4.245 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCCC2)c1 ZINC000491458863 904607051 /nfs/dbraw/zinc/60/70/51/904607051.db2.gz VFBKNMCLNHZDCW-MRXNPFEDSA-N 0 0 412.511 4.071 20 30 HIEDRN N#Cc1ccc(Br)c(CSc2nnnn2-c2ccc(Cl)cc2)c1 ZINC000491572053 904655201 /nfs/dbraw/zinc/65/52/01/904655201.db2.gz KLEYGAKPXLXCBM-UHFFFAOYSA-N 0 0 406.696 4.242 20 30 HIEDRN N#Cc1ccc(Br)c(C[S@@](=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000491612631 904676430 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CCOc1ccc(C#N)cc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000516821249 923905657 /nfs/dbraw/zinc/90/56/57/923905657.db2.gz FZZOPLOQWBMJFT-SFHVURJKSA-N 0 0 420.494 4.401 20 30 HIEDRN CC1(C)C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c2ccc(F)cc2O1 ZINC000516858326 923918944 /nfs/dbraw/zinc/91/89/44/923918944.db2.gz CPZGEZJZBXFDMU-DNVCBOLYSA-N 0 0 411.452 4.081 20 30 HIEDRN N#Cc1ccc(N2CCC(c3nc(-c4ccccc4-n4cccn4)no3)CC2)c(F)c1 ZINC000516892231 923928901 /nfs/dbraw/zinc/92/89/01/923928901.db2.gz AGRCSRBXJUYNLR-UHFFFAOYSA-N 0 0 414.444 4.317 20 30 HIEDRN C[C@@]1(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)OCCc2sccc21 ZINC000516939508 923940671 /nfs/dbraw/zinc/94/06/71/923940671.db2.gz CNUSKUNLIOCWQF-QHCPKHFHSA-N 0 0 403.507 4.153 20 30 HIEDRN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC000516997550 923960308 /nfs/dbraw/zinc/96/03/08/923960308.db2.gz HRKXYLDSQUMNBG-UHFFFAOYSA-N 0 0 405.458 4.129 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)NCC2(c3cccc(Cl)c3)CC2)c1C#N ZINC000517020369 923966778 /nfs/dbraw/zinc/96/67/78/923966778.db2.gz BKZHZRDCIWBDDX-UHFFFAOYSA-N 0 0 415.946 4.357 20 30 HIEDRN Cc1nc([C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)no1 ZINC000517046405 923973619 /nfs/dbraw/zinc/97/36/19/923973619.db2.gz MANJTBYYWMWNMJ-OAQYLSRUSA-N 0 0 407.905 4.251 20 30 HIEDRN C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000517196197 924046055 /nfs/dbraw/zinc/04/60/55/924046055.db2.gz LQXMQPNLORUDOJ-AVRWGWEMSA-N 0 0 417.509 4.114 20 30 HIEDRN C[C@H]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000517196198 924046711 /nfs/dbraw/zinc/04/67/11/924046711.db2.gz LQXMQPNLORUDOJ-BVZFJXPGSA-N 0 0 417.509 4.114 20 30 HIEDRN N#Cc1cc(Oc2ccc(NCC(=O)NCCOc3ccc(Cl)cc3)cc2)ccn1 ZINC000517208222 924054596 /nfs/dbraw/zinc/05/45/96/924054596.db2.gz YVJSPTUGQPIORE-UHFFFAOYSA-N 0 0 422.872 4.006 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000517330556 924106844 /nfs/dbraw/zinc/10/68/44/924106844.db2.gz KIEYKYWGRNGAKP-ZBFHGGJFSA-N 0 0 423.344 4.323 20 30 HIEDRN CNC(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C ZINC000517345325 924117761 /nfs/dbraw/zinc/11/77/61/924117761.db2.gz HFQURUBAMPKAPT-UHFFFAOYSA-N 0 0 403.413 4.410 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)cc1 ZINC000517346193 924119269 /nfs/dbraw/zinc/11/92/69/924119269.db2.gz OXEKJHVYKRIISG-UHFFFAOYSA-N 0 0 415.424 4.182 20 30 HIEDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000517368791 924138206 /nfs/dbraw/zinc/13/82/06/924138206.db2.gz UVNLEWMRQLHODK-KRWDZBQOSA-N 0 0 423.488 4.258 20 30 HIEDRN C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC000517439900 924188579 /nfs/dbraw/zinc/18/85/79/924188579.db2.gz BNWJWCCTGDHJJF-UHFFFAOYSA-N 0 0 410.440 4.317 20 30 HIEDRN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000517449075 924198617 /nfs/dbraw/zinc/19/86/17/924198617.db2.gz NHGYDCLKLYVUEM-CYBMUJFWSA-N 0 0 402.545 4.260 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000517468255 924209457 /nfs/dbraw/zinc/20/94/57/924209457.db2.gz KHMXOXNTFCQENJ-CYBMUJFWSA-N 0 0 419.909 4.328 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000517467177 924209855 /nfs/dbraw/zinc/20/98/55/924209855.db2.gz OLYNNHOTEUALSM-KXBFYZLASA-N 0 0 411.502 4.380 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCc1csc2ccccc12 ZINC000517467439 924210058 /nfs/dbraw/zinc/21/00/58/924210058.db2.gz ZNGVMDUKDOBCOJ-HNNXBMFYSA-N 0 0 423.563 4.450 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000517473264 924215306 /nfs/dbraw/zinc/21/53/06/924215306.db2.gz MAOUHJXFIIUSON-AWEZNQCLSA-N 0 0 416.934 4.143 20 30 HIEDRN COc1ccc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(OC)c1OC ZINC000517473103 924215360 /nfs/dbraw/zinc/21/53/60/924215360.db2.gz JFCFYWDZRIPDGT-CQSZACIVSA-N 0 0 415.515 4.286 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ncc(Cc2ccccc2)s1)c1ccccc1 ZINC000517490953 924227771 /nfs/dbraw/zinc/22/77/71/924227771.db2.gz YTNDRHKDLBRJMF-UHFFFAOYSA-N 0 0 418.522 4.399 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000517512239 924238999 /nfs/dbraw/zinc/23/89/99/924238999.db2.gz GQUUKPFRAUYIOH-UHFFFAOYSA-N 0 0 416.319 4.176 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2ccccc2)CC1 ZINC000517528164 924248131 /nfs/dbraw/zinc/24/81/31/924248131.db2.gz SEBPYORBHDWUCA-QGZVFWFLSA-N 0 0 407.539 4.426 20 30 HIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)c1nc(C)cs1 ZINC000517533130 924251095 /nfs/dbraw/zinc/25/10/95/924251095.db2.gz QQZAARJEWMOQEO-UONOGXRCSA-N 0 0 402.545 4.052 20 30 HIEDRN Cc1nc(SCC(=O)NCCCOc2cccc3cccnc32)c(C#N)c(C)c1C ZINC000517566007 926683768 /nfs/dbraw/zinc/68/37/68/926683768.db2.gz FRVZOPBQYTWXOM-UHFFFAOYSA-N 0 0 420.538 4.104 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3cnc(-c4ccccc4F)s3)C2)c(F)c1 ZINC000517581850 926694052 /nfs/dbraw/zinc/69/40/52/926694052.db2.gz PNGCIGBMOWPWHL-HNNXBMFYSA-N 0 0 424.476 4.359 20 30 HIEDRN C[C@@H](CNC(=O)NCc1cccc(C#N)c1)Sc1ccc(Br)cc1 ZINC000517598062 926706356 /nfs/dbraw/zinc/70/63/56/926706356.db2.gz JJPZVBAAOMRTGH-ZDUSSCGKSA-N 0 0 404.333 4.301 20 30 HIEDRN CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000517599606 926708294 /nfs/dbraw/zinc/70/82/94/926708294.db2.gz DHERMDYADKEKHI-GOSISDBHSA-N 0 0 400.885 4.161 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCN(c4ccccc4)C3=O)c2)cc1 ZINC000517621299 926728599 /nfs/dbraw/zinc/72/85/99/926728599.db2.gz TXFWGHCBGBJDBG-QFIPXVFZSA-N 0 0 412.449 4.278 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 ZINC000517652818 926760908 /nfs/dbraw/zinc/76/09/08/926760908.db2.gz DIQAZOKFHPSNJY-UHFFFAOYSA-N 0 0 409.467 4.127 20 30 HIEDRN Cc1cccc(N(CCC(N)=O)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 ZINC000517657055 926764084 /nfs/dbraw/zinc/76/40/84/926764084.db2.gz JHUNPOLDTFCRCH-UHFFFAOYSA-N 0 0 413.477 4.376 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC(c4nncn4C4CC4)CC3)c2)cc1 ZINC000517681946 926787501 /nfs/dbraw/zinc/78/75/01/926787501.db2.gz FBEQVUBJYNETRM-UHFFFAOYSA-N 0 0 413.481 4.297 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)cc1OC ZINC000517699412 926801675 /nfs/dbraw/zinc/80/16/75/926801675.db2.gz MBXALEOOSJCWJY-UHFFFAOYSA-N 0 0 414.465 4.146 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000517707843 926806612 /nfs/dbraw/zinc/80/66/12/926806612.db2.gz WRMTUOFSNWJRLS-MSOLQXFVSA-N 0 0 401.304 4.369 20 30 HIEDRN COCc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000517772762 926829395 /nfs/dbraw/zinc/82/93/95/926829395.db2.gz OPMQIBBYUDYAEN-KRWDZBQOSA-N 0 0 406.507 4.411 20 30 HIEDRN CSCC[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1nnc2ccccn21 ZINC000517781302 926833489 /nfs/dbraw/zinc/83/34/89/926833489.db2.gz PONTYAQAFXBFLB-IBGZPJMESA-N 0 0 422.558 4.015 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSc2ncccc2[N+](=O)[O-])c1C#N ZINC000517806648 926845446 /nfs/dbraw/zinc/84/54/46/926845446.db2.gz VMMUPPWZPNEMAM-UHFFFAOYSA-N 0 0 421.482 4.059 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000517830248 926855806 /nfs/dbraw/zinc/85/58/06/926855806.db2.gz WKTVYCAJBCBYPZ-QGZVFWFLSA-N 0 0 410.484 4.495 20 30 HIEDRN CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000517831758 926856065 /nfs/dbraw/zinc/85/60/65/926856065.db2.gz NFXPLAJZKXNMSC-UHFFFAOYSA-N 0 0 405.479 4.399 20 30 HIEDRN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517847627 926862419 /nfs/dbraw/zinc/86/24/19/926862419.db2.gz UVURGOOPFRRTJK-FQEVSTJZSA-N 0 0 409.511 4.381 20 30 HIEDRN Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C(N)=O ZINC000517905608 926885410 /nfs/dbraw/zinc/88/54/10/926885410.db2.gz LRZGIQWRTYLEAM-UHFFFAOYSA-N 0 0 416.456 4.339 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000517946800 926898292 /nfs/dbraw/zinc/89/82/92/926898292.db2.gz YISZKQQZMJNZQK-VQIMIIECSA-N 0 0 424.444 4.023 20 30 HIEDRN COCC[C@](C)(C#N)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000518002394 926942400 /nfs/dbraw/zinc/94/24/00/926942400.db2.gz OPLPWTHGAGKXAD-LJQANCHMSA-N 0 0 402.907 4.097 20 30 HIEDRN CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000518002587 926943066 /nfs/dbraw/zinc/94/30/66/926943066.db2.gz OPBVKCNXODKEIX-HKUYNNGSSA-N 0 0 416.447 4.260 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000518002590 926943541 /nfs/dbraw/zinc/94/35/41/926943541.db2.gz OPBVKCNXODKEIX-PKOBYXMFSA-N 0 0 416.447 4.260 20 30 HIEDRN CC(C)N(C[C@H](O)COc1cccc2ccccc21)C(=O)NCc1cccc(C#N)c1 ZINC000518014603 926952929 /nfs/dbraw/zinc/95/29/29/926952929.db2.gz ACOVLDJRNSBTOA-QFIPXVFZSA-N 0 0 417.509 4.071 20 30 HIEDRN CCc1cccc(NC(=O)CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 ZINC000518043498 926981888 /nfs/dbraw/zinc/98/18/88/926981888.db2.gz PDDLMMSHNWYTSA-UHFFFAOYSA-N 0 0 417.440 4.421 20 30 HIEDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000518061047 926999874 /nfs/dbraw/zinc/99/98/74/926999874.db2.gz MKHYMHZVKXAMSQ-GFCCVEGCSA-N 0 0 424.913 4.460 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000518150959 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C=CCOc1ccc(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000521596924 929319403 /nfs/dbraw/zinc/31/94/03/929319403.db2.gz UDIQFNHDJOEKJM-UHFFFAOYSA-N 0 0 414.509 4.313 20 30 HIEDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000521613823 929329223 /nfs/dbraw/zinc/32/92/23/929329223.db2.gz QGQAKCLTWUESIY-HXUWFJFHSA-N 0 0 412.489 4.409 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000521685982 929367167 /nfs/dbraw/zinc/36/71/67/929367167.db2.gz QRPXEPUZFLGOPB-SFHVURJKSA-N 0 0 406.530 4.472 20 30 HIEDRN C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC000521690124 929368791 /nfs/dbraw/zinc/36/87/91/929368791.db2.gz MWDCTKLEAOIPQJ-HNNXBMFYSA-N 0 0 408.477 4.411 20 30 HIEDRN CC(C)Oc1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 ZINC000521719689 929387137 /nfs/dbraw/zinc/38/71/37/929387137.db2.gz KMPNYBYJRXBCNM-LBPRGKRZSA-N 0 0 408.574 4.308 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000521742969 929402208 /nfs/dbraw/zinc/40/22/08/929402208.db2.gz VFDDLLRRBUGVDC-OAQYLSRUSA-N 0 0 416.481 4.131 20 30 HIEDRN Cc1nc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc(=O)[nH]1 ZINC000521763911 929426411 /nfs/dbraw/zinc/42/64/11/929426411.db2.gz FALIGBNSVIWVER-UHFFFAOYSA-N 0 0 401.470 4.472 20 30 HIEDRN CCOc1ccc(-n2ncc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2C)nn1 ZINC000521802136 929463578 /nfs/dbraw/zinc/46/35/78/929463578.db2.gz OITVLNKBEMBMDJ-CQSZACIVSA-N 0 0 422.514 4.016 20 30 HIEDRN C=CCN(Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808078 929466788 /nfs/dbraw/zinc/46/67/88/929466788.db2.gz BTZITKLNPOILOD-KRWDZBQOSA-N 0 0 416.485 4.075 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000521839257 929491660 /nfs/dbraw/zinc/49/16/60/929491660.db2.gz SFJBPXDQVGZBEX-OAQYLSRUSA-N 0 0 414.421 4.476 20 30 HIEDRN Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)s2)o1 ZINC000521862286 929514316 /nfs/dbraw/zinc/51/43/16/929514316.db2.gz ZEPRRSPDSMHLOT-INIZCTEOSA-N 0 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/nfs/dbraw/zinc/65/68/86/929656886.db2.gz JGGRPUUDAHCCNL-UHFFFAOYSA-N 0 0 400.526 4.301 20 30 HIEDRN COc1ccccc1[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)N(C)C ZINC000524565481 929691822 /nfs/dbraw/zinc/69/18/22/929691822.db2.gz VOYVFPKGDYZFAH-LPHOPBHVSA-N 0 0 412.559 4.371 20 30 HIEDRN CCCCOCCN(C(=O)c1ccc(C#N)c(C)n1)c1cccc(Br)c1 ZINC000524570541 929693685 /nfs/dbraw/zinc/69/36/85/929693685.db2.gz YAHLAVXGMNHQSW-UHFFFAOYSA-N 0 0 416.319 4.488 20 30 HIEDRN C[C@@H](c1cccnc1)N1C(=O)C[C@H](Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1=O ZINC000524576493 929696544 /nfs/dbraw/zinc/69/65/44/929696544.db2.gz NARMCMMKEGWUEW-AOMKIAJQSA-N 0 0 412.449 4.046 20 30 HIEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000524592499 929702776 /nfs/dbraw/zinc/70/27/76/929702776.db2.gz OVYYNKUNZRESOD-GFCCVEGCSA-N 0 0 419.478 4.308 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)CCSc1ccc2c(c1)OCCCO2 ZINC000524631394 929741507 /nfs/dbraw/zinc/74/15/07/929741507.db2.gz GCNCWVLTKVKNNG-UHFFFAOYSA-N 0 0 413.499 4.046 20 30 HIEDRN Cc1cnc(-c2cccc(NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)c2)o1 ZINC000524632164 929742111 /nfs/dbraw/zinc/74/21/11/929742111.db2.gz WJCPTQALIPDNKW-IBGZPJMESA-N 0 0 419.460 4.451 20 30 HIEDRN Cc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OCC1CCOCC1 ZINC000524637486 929747506 /nfs/dbraw/zinc/74/75/06/929747506.db2.gz GVCLZFPSMOXDJN-UHFFFAOYSA-N 0 0 413.905 4.376 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCc1ccc(Cl)cc1 ZINC000524675875 929789932 /nfs/dbraw/zinc/78/99/32/929789932.db2.gz XKWHPYKSNTZTHG-HNNXBMFYSA-N 0 0 415.946 4.279 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)CCOc3ccc(F)c(Cl)c3)C2)c(F)c1 ZINC000524687501 929800103 /nfs/dbraw/zinc/80/01/03/929800103.db2.gz QMNUEQXHESZEIR-OAHLLOKOSA-N 0 0 419.859 4.044 20 30 HIEDRN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)Sc1ccc(Br)cc1 ZINC000524687397 929800195 /nfs/dbraw/zinc/80/01/95/929800195.db2.gz NFKSGQIFAJTPNN-KBPBESRZSA-N 0 0 419.344 4.385 20 30 HIEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000524726601 929812256 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4.153 20 30 HIEDRN CCCN(C(=O)COc1ccccc1C#N)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000524835916 929852617 /nfs/dbraw/zinc/85/26/17/929852617.db2.gz RYSNKPLZNGIINM-XMMPIXPASA-N 0 0 403.457 4.499 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000524890810 929874976 /nfs/dbraw/zinc/87/49/76/929874976.db2.gz LBPGZZMQLIZKGG-UHFFFAOYSA-N 0 0 406.507 4.062 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000524926892 929893953 /nfs/dbraw/zinc/89/39/53/929893953.db2.gz UIVAAFLVZDDXAD-QFBILLFUSA-N 0 0 412.896 4.129 20 30 HIEDRN C=CCOc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)cc1OC ZINC000524950025 929912495 /nfs/dbraw/zinc/91/24/95/929912495.db2.gz OWZQGOBZZNOIIZ-UHFFFAOYSA-N 0 0 417.527 4.271 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)cc2)cc1 ZINC000524961530 929926169 /nfs/dbraw/zinc/92/61/69/929926169.db2.gz SURUNMBUDKVRAO-XMMPIXPASA-N 0 0 413.477 4.190 20 30 HIEDRN N#Cc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c(F)c1 ZINC000524987036 929950959 /nfs/dbraw/zinc/95/09/59/929950959.db2.gz XWOGNHBRTTYXFY-INIZCTEOSA-N 0 0 423.391 4.096 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000524988280 929952960 /nfs/dbraw/zinc/95/29/60/929952960.db2.gz FCVSZJCZTIDXFT-DJIMGWMZSA-N 0 0 411.315 4.099 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000524988283 929953219 /nfs/dbraw/zinc/95/32/19/929953219.db2.gz FCVSZJCZTIDXFT-UAGQMJEPSA-N 0 0 411.315 4.099 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000525000758 929964876 /nfs/dbraw/zinc/96/48/76/929964876.db2.gz YFYCYTNJJMBTBD-IBGZPJMESA-N 0 0 415.474 4.027 20 30 HIEDRN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000525042556 929997274 /nfs/dbraw/zinc/99/72/74/929997274.db2.gz ZDYMGMYFAKHHFJ-LADGPHEKSA-N 0 0 402.450 4.199 20 30 HIEDRN CCn1c(SCc2nnc(-c3ccc(C#N)cc3)o2)nnc1-c1ccccc1OC ZINC000525110706 930043296 /nfs/dbraw/zinc/04/32/96/930043296.db2.gz GIODTAQGAKTRHR-UHFFFAOYSA-N 0 0 418.482 4.188 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2c(F)cc(F)cc2Br)c(F)c1 ZINC000525115890 930045245 /nfs/dbraw/zinc/04/52/45/930045245.db2.gz GBOBYQISHMZTQF-UHFFFAOYSA-N 0 0 401.207 4.469 20 30 HIEDRN Cc1noc(-c2ccccc2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)n1 ZINC000525135312 930055368 /nfs/dbraw/zinc/05/53/68/930055368.db2.gz XQWXXPGEYSGSRV-UHFFFAOYSA-N 0 0 402.454 4.037 20 30 HIEDRN C[C@@H](Nc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000525148811 930064737 /nfs/dbraw/zinc/06/47/37/930064737.db2.gz NADLNBDQYUGGCQ-CQSZACIVSA-N 0 0 412.409 4.159 20 30 HIEDRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000525177330 930076707 /nfs/dbraw/zinc/07/67/07/930076707.db2.gz LGWUKKPXDRMQSF-MRXNPFEDSA-N 0 0 408.317 4.354 20 30 HIEDRN COc1cc(C#N)ccc1OCCSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000525334026 930169564 /nfs/dbraw/zinc/16/95/64/930169564.db2.gz DOTPUSMSOZRYIK-UHFFFAOYSA-N 0 0 421.457 4.006 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(C(F)(F)F)c1 ZINC000525386960 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C[C@@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542045651 939698319 /nfs/dbraw/zinc/69/83/19/939698319.db2.gz DZCPYDIHZLSTQU-GOSISDBHSA-N 0 0 418.541 4.234 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542049151 939699225 /nfs/dbraw/zinc/69/92/25/939699225.db2.gz SVDFSUXRPSIDSW-UHFFFAOYSA-N 0 0 403.429 4.303 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000542053869 939700117 /nfs/dbraw/zinc/70/01/17/939700117.db2.gz WDTYOCQJWGDPGP-UHFFFAOYSA-N 0 0 407.773 4.304 20 30 HIEDRN COCc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542057160 939700871 /nfs/dbraw/zinc/70/08/71/939700871.db2.gz SMTLUGRIQHMDMN-KRWDZBQOSA-N 0 0 406.507 4.411 20 30 HIEDRN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]n1 ZINC000542061551 939701692 /nfs/dbraw/zinc/70/16/92/939701692.db2.gz PHUFDBQANIQSRF-OAHLLOKOSA-N 0 0 424.508 4.457 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)cc2)CC1 ZINC000542064107 939701884 /nfs/dbraw/zinc/70/18/84/939701884.db2.gz ONWXXXROTZCARP-LJQANCHMSA-N 0 0 400.400 4.474 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)CSc3nnc4ccccn43)cc2)c1 ZINC000542080244 939704168 /nfs/dbraw/zinc/70/41/68/939704168.db2.gz UDPLJNRJRPFQHI-UHFFFAOYSA-N 0 0 401.451 4.124 20 30 HIEDRN C=CCC[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 ZINC000542086502 939705573 /nfs/dbraw/zinc/70/55/73/939705573.db2.gz UJGJKLAUHIXLOA-MRXNPFEDSA-N 0 0 415.287 4.217 20 30 HIEDRN C[C@@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542090484 939707086 /nfs/dbraw/zinc/70/70/86/939707086.db2.gz KZWMHOQMXFNXJI-OAHLLOKOSA-N 0 0 417.431 4.385 20 30 HIEDRN C[C@@H](NC(=O)N1CCC(N2CCCC2=O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542090944 939707451 /nfs/dbraw/zinc/70/74/51/939707451.db2.gz RJHVNINUJFJOLO-GOSISDBHSA-N 0 0 416.525 4.083 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000542093093 939708187 /nfs/dbraw/zinc/70/81/87/939708187.db2.gz 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COCCOc1ccc(C#N)cc1NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000542286973 939785046 /nfs/dbraw/zinc/78/50/46/939785046.db2.gz MWVOPKOWUYNFQS-UHFFFAOYSA-N 0 0 408.498 4.476 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000542286147 939785303 /nfs/dbraw/zinc/78/53/03/939785303.db2.gz IDVFRZPZWKRSCX-ZDUSSCGKSA-N 0 0 409.515 4.026 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000542288018 939785660 /nfs/dbraw/zinc/78/56/60/939785660.db2.gz FXPGMJPPTPHVFU-UHFFFAOYSA-N 0 0 417.303 4.262 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000542293282 939788088 /nfs/dbraw/zinc/78/80/88/939788088.db2.gz RUKYDLHSFHQANO-QUCCMNQESA-N 0 0 416.506 4.047 20 30 HIEDRN Cc1c(I)cccc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542296392 939789103 /nfs/dbraw/zinc/78/91/03/939789103.db2.gz GJULBPJUSFWHJU-UHFFFAOYSA-N 0 0 416.262 4.276 20 30 HIEDRN C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1nccs1 ZINC000542360340 939807277 /nfs/dbraw/zinc/80/72/77/939807277.db2.gz YWKRXNLZUXDRHD-HNNXBMFYSA-N 0 0 420.494 4.008 20 30 HIEDRN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542362678 939807854 /nfs/dbraw/zinc/80/78/54/939807854.db2.gz ZCBRRNWJISLAMR-UHFFFAOYSA-N 0 0 418.497 4.142 20 30 HIEDRN CCOC(=O)C[C@@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000542363981 939808105 /nfs/dbraw/zinc/80/81/05/939808105.db2.gz AZDHQQPKLHPMID-QGZVFWFLSA-N 0 0 409.486 4.137 20 30 HIEDRN CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542400488 939814982 /nfs/dbraw/zinc/81/49/82/939814982.db2.gz RIYFFNZSWABJJY-UZLBHIALSA-N 0 0 419.928 4.319 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000542406424 939816069 /nfs/dbraw/zinc/81/60/69/939816069.db2.gz VJJFAYFBQGGDKH-FYYLOGMGSA-N 0 0 407.470 4.438 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000542420311 939818446 /nfs/dbraw/zinc/81/84/46/939818446.db2.gz BIEHBUGPTDXEKQ-CYBMUJFWSA-N 0 0 405.401 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ZINC000542739636 939858218 /nfs/dbraw/zinc/85/82/18/939858218.db2.gz FKAWZGQLYUUXMA-PZJWPPBQSA-N 0 0 413.449 4.352 20 30 HIEDRN C[C@H](Oc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000542807080 939861079 /nfs/dbraw/zinc/86/10/79/939861079.db2.gz NFRHADRYDATFBT-INIZCTEOSA-N 0 0 418.501 4.100 20 30 HIEDRN C=CCSCCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000542816876 939861347 /nfs/dbraw/zinc/86/13/47/939861347.db2.gz QCWBFNHIDYYUFT-UHFFFAOYSA-N 0 0 419.344 4.350 20 30 HIEDRN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000542839248 939862225 /nfs/dbraw/zinc/86/22/25/939862225.db2.gz VDTQLVRBCRFDHT-IBGZPJMESA-N 0 0 405.433 4.261 20 30 HIEDRN N#CCC1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1 ZINC000542904365 939875679 /nfs/dbraw/zinc/87/56/79/939875679.db2.gz PCFFQIFDHJQCMQ-UHFFFAOYSA-N 0 0 416.275 4.060 20 30 HIEDRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CCC(CC#N)CC2)cc1 ZINC000542910009 939876560 /nfs/dbraw/zinc/87/65/60/939876560.db2.gz XEADKJYJBYHRTE-UHFFFAOYSA-N 0 0 414.509 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C[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542931489 939880719 /nfs/dbraw/zinc/88/07/19/939880719.db2.gz QVLONFSQAUEVNS-SFHVURJKSA-N 0 0 420.472 4.262 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1C ZINC000542933461 939880988 /nfs/dbraw/zinc/88/09/88/939880988.db2.gz NGPZEXUQEKFWFS-UHFFFAOYSA-N 0 0 414.444 4.153 20 30 HIEDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542937880 939882172 /nfs/dbraw/zinc/88/21/72/939882172.db2.gz ASTSQRGAVDCVKB-KRWDZBQOSA-N 0 0 417.488 4.122 20 30 HIEDRN Cn1cc(-c2ccc(F)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c2)cn1 ZINC000542940547 939882310 /nfs/dbraw/zinc/88/23/10/939882310.db2.gz AATGZQJRBFKXOA-UHFFFAOYSA-N 0 0 417.469 4.397 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)n1 ZINC000542944716 939883502 /nfs/dbraw/zinc/88/35/02/939883502.db2.gz DYIMDHGUBCSYDT-UHFFFAOYSA-N 0 0 418.844 4.019 20 30 HIEDRN COc1c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cccc1C(N)=O ZINC000542947290 939883927 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ZINC000542999782 939893570 /nfs/dbraw/zinc/89/35/70/939893570.db2.gz NBQRDMDGKUYGBB-UHFFFAOYSA-N 0 0 407.680 4.474 20 30 HIEDRN CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1F ZINC000543003228 939894060 /nfs/dbraw/zinc/89/40/60/939894060.db2.gz KCTIBNXQSZPCQM-SFHVURJKSA-N 0 0 415.440 4.242 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1OCCO ZINC000543024355 939897601 /nfs/dbraw/zinc/89/76/01/939897601.db2.gz XWLSSLZNVUBUFK-UHFFFAOYSA-N 0 0 402.450 4.069 20 30 HIEDRN N#Cc1c(Cl)cccc1SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000543031379 939898920 /nfs/dbraw/zinc/89/89/20/939898920.db2.gz RTIWAFDMWDRBQQ-UHFFFAOYSA-N 0 0 419.846 4.012 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000543046367 939908284 /nfs/dbraw/zinc/90/82/84/939908284.db2.gz LCAMXBCMVKIJCD-AUECHBEKSA-N 0 0 417.512 4.175 20 30 HIEDRN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543063379 939916380 /nfs/dbraw/zinc/91/63/80/939916380.db2.gz ATBVDRVYJJJLQY-FQEVSTJZSA-N 0 0 413.905 4.280 20 30 HIEDRN C=CCN(C(=O)c1ccc(SC2CC2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000543066969 939920067 /nfs/dbraw/zinc/92/00/67/939920067.db2.gz MNGIZCDHLFQFKY-INIZCTEOSA-N 0 0 405.527 4.306 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCSC[C@@H]3c3ccc(Cl)cc3)n2)c1 ZINC000543069377 939922236 /nfs/dbraw/zinc/92/22/36/939922236.db2.gz NXLXLEKQMYGMEL-HXUWFJFHSA-N 0 0 408.914 4.328 20 30 HIEDRN Cn1ccnc1-c1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000563751029 945283375 /nfs/dbraw/zinc/28/33/75/945283375.db2.gz QZHPWJCAQHBCHP-UHFFFAOYSA-N 0 0 401.470 4.034 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)OC)c2c(F)cccc2Cl)nnc1-c1ccncc1 ZINC000543145039 939970134 /nfs/dbraw/zinc/97/01/34/939970134.db2.gz XFUOTGBTPQZECF-INIZCTEOSA-N 0 0 418.881 4.325 20 30 HIEDRN CCN(Cc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000543148320 939972732 /nfs/dbraw/zinc/97/27/32/939972732.db2.gz PKBKTQJJPGBAJV-UHFFFAOYSA-N 0 0 407.333 4.034 20 30 HIEDRN Cc1ccc([C@@H](NCc2cccc(C#N)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000543152737 939976367 /nfs/dbraw/zinc/97/63/67/939976367.db2.gz CIJZRQKWAOIQIC-HSZRJFAPSA-N 0 0 408.498 4.289 20 30 HIEDRN N#Cc1ccc(N2CCC(Oc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000563757552 945286399 /nfs/dbraw/zinc/28/63/99/945286399.db2.gz JVQCTQBCHRPOGL-UHFFFAOYSA-N 0 0 402.248 4.277 20 30 HIEDRN Cc1c(Cl)cnc(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1C#N ZINC000543209499 939996747 /nfs/dbraw/zinc/99/67/47/939996747.db2.gz UDARPRZIYBHHGW-INIZCTEOSA-N 0 0 420.904 4.275 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 ZINC000563759461 945287996 /nfs/dbraw/zinc/28/79/96/945287996.db2.gz PSVMHLVHJDJWEP-HSZRJFAPSA-N 0 0 403.526 4.367 20 30 HIEDRN N#Cc1ccc(CN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C2CC2)cc1 ZINC000543221067 939999773 /nfs/dbraw/zinc/99/97/73/939999773.db2.gz IKXJJIYFBFKVOL-UHFFFAOYSA-N 0 0 400.457 4.177 20 30 HIEDRN C[C@@H]1CN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000543277008 940015712 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940122448 /nfs/dbraw/zinc/12/24/48/940122448.db2.gz WCEQSPFAIOZIGR-UHFFFAOYSA-N 0 0 424.426 4.197 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000543588509 940122456 /nfs/dbraw/zinc/12/24/56/940122456.db2.gz CHQHBOJAGJYBPM-YLJYHZDGSA-N 0 0 401.576 4.158 20 30 HIEDRN CC(C)c1ccc(OC2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cc1 ZINC000543731179 940170594 /nfs/dbraw/zinc/17/05/94/940170594.db2.gz NXKDJQSKXGANTD-DEOSSOPVSA-N 0 0 414.546 4.441 20 30 HIEDRN C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)[C@H](C)c1cc(C)ccc1C ZINC000563782647 945300472 /nfs/dbraw/zinc/30/04/72/945300472.db2.gz GEDPRLJDWVGZKI-GOSISDBHSA-N 0 0 424.570 4.349 20 30 HIEDRN Cc1ccccc1[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCC[C@H](C)C1 ZINC000543757469 940176124 /nfs/dbraw/zinc/17/61/24/940176124.db2.gz HJBNYNWPVGVADD-AQOAWAETSA-N 0 0 422.577 4.314 20 30 HIEDRN COc1cccc(C[C@H]2CCCN2C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000543771797 940180760 /nfs/dbraw/zinc/18/07/60/940180760.db2.gz SCESAAJXGYIFJB-QGZVFWFLSA-N 0 0 419.460 4.131 20 30 HIEDRN COc1ccc(-c2nc(C[S@@](=O)CCCC3(C#N)CCOCC3)cs2)cc1 ZINC000543786157 940186636 /nfs/dbraw/zinc/18/66/36/940186636.db2.gz GMNVDXPIHWYZOB-MHZLTWQESA-N 0 0 404.557 4.168 20 30 HIEDRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[S@](=O)CCCC1(C#N)CCOCC1 ZINC000543787216 940187159 /nfs/dbraw/zinc/18/71/59/940187159.db2.gz JKIDAKIJYJKNPN-PGGUUEOZSA-N 0 0 407.923 4.300 20 30 HIEDRN C[C@H](C#N)CNC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000543804077 940191956 /nfs/dbraw/zinc/19/19/56/940191956.db2.gz XYKXRVTYCPBJBQ-OAHLLOKOSA-N 0 0 402.951 4.055 20 30 HIEDRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC(CC#N)CC1 ZINC000543835598 940204395 /nfs/dbraw/zinc/20/43/95/940204395.db2.gz YXEOBSMSPVDORH-UHFFFAOYSA-N 0 0 405.329 4.491 20 30 HIEDRN COc1cc(-c2noc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)n2)ccc1C ZINC000543862409 940214730 /nfs/dbraw/zinc/21/47/30/940214730.db2.gz XXHKXAPOAZWXDV-UHFFFAOYSA-N 0 0 420.860 4.377 20 30 HIEDRN 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HIEDRN O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000553833499 941980288 /nfs/dbraw/zinc/98/02/88/941980288.db2.gz RBHGMRICYNHESX-UHFFFAOYSA-N 0 0 417.705 4.124 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)NCc3sccc3Br)cc2)nc1 ZINC000553859206 941985053 /nfs/dbraw/zinc/98/50/53/941985053.db2.gz OLJGPDDOQNMTQF-UHFFFAOYSA-N 0 0 414.284 4.500 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000553948989 942005313 /nfs/dbraw/zinc/00/53/13/942005313.db2.gz LLTXKKXBXFIYPB-ICSRJNTNSA-N 0 0 402.416 4.134 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)c1C#N ZINC000553983912 942013208 /nfs/dbraw/zinc/01/32/08/942013208.db2.gz MOJLAJKHLROLCI-CQSZACIVSA-N 0 0 410.518 4.043 20 30 HIEDRN C[C@@H]1C[NH+](Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000553987487 942013571 /nfs/dbraw/zinc/01/35/71/942013571.db2.gz PRPIQPAHSVYNTG-MDZRGWNJSA-N 0 0 405.523 4.396 20 30 HIEDRN C[C@@H]1C[N@@H+](Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)C[C@H](C)O1 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HIEDRN CCCC(=O)Nc1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000554407199 942130119 /nfs/dbraw/zinc/13/01/19/942130119.db2.gz XMXZCGCQRZDMLU-UHFFFAOYSA-N 0 0 415.291 4.381 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(OCCOC)cc1C ZINC000554407618 942130160 /nfs/dbraw/zinc/13/01/60/942130160.db2.gz PWASIEOPEXEUTH-UHFFFAOYSA-N 0 0 400.523 4.408 20 30 HIEDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n(CCC#N)n1 ZINC000554494029 942159015 /nfs/dbraw/zinc/15/90/15/942159015.db2.gz SLADGZOXTRABIC-FGZHOGPDSA-N 0 0 400.482 4.426 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2cnc3ccccc3c2C(F)(F)F)CC1 ZINC000554537138 942164521 /nfs/dbraw/zinc/16/45/21/942164521.db2.gz ZYRQRJCQRIYJBM-UHFFFAOYSA-N 0 0 410.399 4.346 20 30 HIEDRN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000554565036 942168908 /nfs/dbraw/zinc/16/89/08/942168908.db2.gz VTCIHSWAHYYWOY-UHFFFAOYSA-N 0 0 414.509 4.172 20 30 HIEDRN N#Cc1cccc(CCNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1 ZINC000554584834 942172027 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HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000554786012 942236901 /nfs/dbraw/zinc/23/69/01/942236901.db2.gz YWCZKAMPLLCPDU-UHFFFAOYSA-N 0 0 411.477 4.209 20 30 HIEDRN CC(C)(c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1cc(F)cc(C#N)c1 ZINC000554817956 942259597 /nfs/dbraw/zinc/25/95/97/942259597.db2.gz KLLMUPMDNMUKCD-UHFFFAOYSA-N 0 0 405.389 4.387 20 30 HIEDRN CCOC(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000554841977 942280432 /nfs/dbraw/zinc/28/04/32/942280432.db2.gz QJQJBQCAELUULZ-SGTLLEGYSA-N 0 0 405.267 4.415 20 30 HIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1c2ccccc2CC[C@H]1C ZINC000554870666 942301818 /nfs/dbraw/zinc/30/18/18/942301818.db2.gz CWDCKEMBAOEMDT-OAHLLOKOSA-N 0 0 405.885 4.203 20 30 HIEDRN CC(=O)NCCN(Cc1ccsc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000554876700 942305121 /nfs/dbraw/zinc/30/51/21/942305121.db2.gz BHRXCMNCNACYTH-HNNXBMFYSA-N 0 0 416.572 4.170 20 30 HIEDRN C=CCn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000554921057 942320629 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/nfs/dbraw/zinc/93/43/66/942934366.db2.gz BPWAOMUOMJLYDT-UHFFFAOYSA-N 0 0 417.918 4.075 20 30 HIEDRN C=CCOc1c(Br)cc(CN2C[C@H](CO)c3ccccc32)cc1OC ZINC000556908212 942961411 /nfs/dbraw/zinc/96/14/11/942961411.db2.gz ARZGNXXIZVXPGJ-OAHLLOKOSA-N 0 0 404.304 4.119 20 30 HIEDRN Cc1cc(C[C@H](C)NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n(-c2ccccc2)n1 ZINC000556936357 942972859 /nfs/dbraw/zinc/97/28/59/942972859.db2.gz SEINYVZDSGUCDR-INIZCTEOSA-N 0 0 404.489 4.217 20 30 HIEDRN Cc1oc2ccccc2c1CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000556969606 942983140 /nfs/dbraw/zinc/98/31/40/942983140.db2.gz NSAZZNQPTMZAGG-UHFFFAOYSA-N 0 0 405.473 4.327 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556976251 942986247 /nfs/dbraw/zinc/98/62/47/942986247.db2.gz JTNVDWZUHMNYQI-IFMALSPDSA-N 0 0 417.887 4.373 20 30 HIEDRN COc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2ncccc12 ZINC000556990425 942988767 /nfs/dbraw/zinc/98/87/67/942988767.db2.gz IMNVLSMABLACEY-UHFFFAOYSA-N 0 0 404.445 4.109 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000557061300 943008875 /nfs/dbraw/zinc/00/88/75/943008875.db2.gz IDLOUESJAHWKTK-UHFFFAOYSA-N 0 0 424.302 4.417 20 30 HIEDRN C=CCOc1ccc(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC000557060274 943009036 /nfs/dbraw/zinc/00/90/36/943009036.db2.gz MEZGLVISSROISL-GOSISDBHSA-N 0 0 402.903 4.024 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@]34CCCc3ccccc34)CC2)c(F)c1 ZINC000557115460 943022924 /nfs/dbraw/zinc/02/29/24/943022924.db2.gz GHAMOGRMHODSDF-BWKNWUBXSA-N 0 0 404.485 4.361 20 30 HIEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000557168080 943038280 /nfs/dbraw/zinc/03/82/80/943038280.db2.gz OBAUJZXGLCPXNB-KXBFYZLASA-N 0 0 418.946 4.250 20 30 HIEDRN C[C@H]1CCCN(c2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)cc2[N+](=O)[O-])C1 ZINC000557205921 943050662 /nfs/dbraw/zinc/05/06/62/943050662.db2.gz CUOJIGAOMOSSOS-INIZCTEOSA-N 0 0 404.470 4.122 20 30 HIEDRN CC(C)[C@@H]1N(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000557368194 943089157 /nfs/dbraw/zinc/08/91/57/943089157.db2.gz JCNGWYGBDAVSDH-FQEVSTJZSA-N 0 0 407.474 4.023 20 30 HIEDRN C=CCN1C(=O)N(c2cc(C)n(-c3cccc(Cl)c3)n2)C(=O)[C@@H]1Cc1ccccc1 ZINC000557383097 943094482 /nfs/dbraw/zinc/09/44/82/943094482.db2.gz ANNFSAXACXETTG-FQEVSTJZSA-N 0 0 420.900 4.400 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c1 ZINC000557400044 943103613 /nfs/dbraw/zinc/10/36/13/943103613.db2.gz FQPYLNDLHAZAFK-UHFFFAOYSA-N 0 0 422.286 4.333 20 30 HIEDRN C=CCN1C(=O)N(c2nn([C@@H](C)c3ccccc3)cc2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000557407874 943109046 /nfs/dbraw/zinc/10/90/46/943109046.db2.gz KKXQOAXWHCTBOH-UGKGYDQZSA-N 0 0 414.509 4.367 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000557409567 943110771 /nfs/dbraw/zinc/11/07/71/943110771.db2.gz QHPRLELEJLQOQZ-NHCUHLMSSA-N 0 0 415.424 4.100 20 30 HIEDRN C=CCN1C(=O)N(c2cnn(-c3cc(C)ccc3C)c2C)C(=O)[C@H]1Cc1ccccc1 ZINC000557424119 943117633 /nfs/dbraw/zinc/11/76/33/943117633.db2.gz ABLMSSXCXGQSGX-JOCHJYFZSA-N 0 0 414.509 4.363 20 30 HIEDRN COc1cccc(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000557429822 943122177 /nfs/dbraw/zinc/12/21/77/943122177.db2.gz NNVHOOCMRGRZTF-UHFFFAOYSA-N 0 0 411.933 4.186 20 30 HIEDRN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000557432089 943122839 /nfs/dbraw/zinc/12/28/39/943122839.db2.gz BPAAOBZTFAWSJB-IFMALSPDSA-N 0 0 408.479 4.079 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)c3csc(-c4cccc(Cl)c4)n3)C2)nc1 ZINC000557473248 943152125 /nfs/dbraw/zinc/15/21/25/943152125.db2.gz VSUSTDBZBICFJW-MRXNPFEDSA-N 0 0 410.886 4.024 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3ccnc(N4CCc5ccccc5C4)c3)on2)c1 ZINC000557483670 943160234 /nfs/dbraw/zinc/16/02/34/943160234.db2.gz QRWGCWYDGILQAQ-UHFFFAOYSA-N 0 0 421.460 4.423 20 30 HIEDRN Cc1cc(C#N)nc(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n1 ZINC000557570560 943214569 /nfs/dbraw/zinc/21/45/69/943214569.db2.gz OCXZBLQIGQMGGD-QFIPXVFZSA-N 0 0 403.917 4.222 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000557598017 943224874 /nfs/dbraw/zinc/22/48/74/943224874.db2.gz AOSACUMICINTLQ-UHFFFAOYSA-N 0 0 406.438 4.034 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000557599700 943226396 /nfs/dbraw/zinc/22/63/96/943226396.db2.gz UPCRHJRGBLEDTL-UHFFFAOYSA-N 0 0 417.556 4.262 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c(CSC)nc2ccccc21 ZINC000557609034 943229317 /nfs/dbraw/zinc/22/93/17/943229317.db2.gz NYSANGUVCOVKOM-UHFFFAOYSA-N 0 0 411.575 4.282 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2ccccc2)c1COC ZINC000557609608 943230109 /nfs/dbraw/zinc/23/01/09/943230109.db2.gz XPRYQGNKVTUBTJ-UHFFFAOYSA-N 0 0 407.518 4.015 20 30 HIEDRN CCCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCc2cccnc21 ZINC000557611571 943230923 /nfs/dbraw/zinc/23/09/23/943230923.db2.gz QQVPLBSCBDRZFI-SIKLNZKXSA-N 0 0 406.505 4.235 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000557611846 943231149 /nfs/dbraw/zinc/23/11/49/943231149.db2.gz SAUYXHRGWOLKPD-UHFFFAOYSA-N 0 0 417.351 4.258 20 30 HIEDRN CC1(C(=O)Nc2cccc(CCCO)c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557612993 943231780 /nfs/dbraw/zinc/23/17/80/943231780.db2.gz JZAFSZODCVZAEW-UHFFFAOYSA-N 0 0 411.933 4.382 20 30 HIEDRN N#Cc1c(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nc2cc(Cl)ccn12 ZINC000557631067 943240268 /nfs/dbraw/zinc/24/02/68/943240268.db2.gz CIJCHHVVFQIQQA-MRXNPFEDSA-N 0 0 406.795 4.456 20 30 HIEDRN CCCC[C@@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccc(OC)cc1 ZINC000557639064 943242539 /nfs/dbraw/zinc/24/25/39/943242539.db2.gz WMNXSISBESUOBC-HSZRJFAPSA-N 0 0 421.541 4.352 20 30 HIEDRN N#Cc1c(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)nc2cc(Cl)ccn21 ZINC000557637355 943243152 /nfs/dbraw/zinc/24/31/52/943243152.db2.gz HELPFBWNUZRLKB-MRXNPFEDSA-N 0 0 404.804 4.039 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557663137 943251689 /nfs/dbraw/zinc/25/16/89/943251689.db2.gz URAMQKMAHBDZOR-UHFFFAOYSA-N 0 0 418.472 4.184 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000557727498 943270988 /nfs/dbraw/zinc/27/09/88/943270988.db2.gz GLJFXYWEFBVLLH-MRXNPFEDSA-N 0 0 406.515 4.042 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC3CC(c4ccccc4)C3)cc2)c1 ZINC000557737654 943275492 /nfs/dbraw/zinc/27/54/92/943275492.db2.gz CSJUJVNIYKYGKD-UHFFFAOYSA-N 0 0 411.461 4.351 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000557814326 943300489 /nfs/dbraw/zinc/30/04/89/943300489.db2.gz FRXHETKEAQVORR-DLBZAZTESA-N 0 0 406.486 4.262 20 30 HIEDRN C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccccc1 ZINC000557896997 943322868 /nfs/dbraw/zinc/32/28/68/943322868.db2.gz SHTRETXLUOZUMV-IBGZPJMESA-N 0 0 411.505 4.104 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000557997110 943350333 /nfs/dbraw/zinc/35/03/33/943350333.db2.gz NYSOPJZQKWSZEP-UHFFFAOYSA-N 0 0 404.308 4.483 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)c(F)c1 ZINC000558025987 943359457 /nfs/dbraw/zinc/35/94/57/943359457.db2.gz NGIYTZSHZBJUOB-AZUAARDMSA-N 0 0 413.880 4.460 20 30 HIEDRN CC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000558120167 943385565 /nfs/dbraw/zinc/38/55/65/943385565.db2.gz ARJRAMLKLRFLTG-UHFFFAOYSA-N 0 0 424.888 4.316 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(Cl)cc3-n3cccn3)C2)c(F)c1 ZINC000558172364 943409070 /nfs/dbraw/zinc/40/90/70/943409070.db2.gz JZVSXHKAYNPKLO-HNNXBMFYSA-N 0 0 409.852 4.001 20 30 HIEDRN CC(C)c1c(C(=O)Nc2ccc(C#N)c(Br)c2)cnn1-c1ccccn1 ZINC000558213588 943435791 /nfs/dbraw/zinc/43/57/91/943435791.db2.gz XILFBZPLEMJLSQ-UHFFFAOYSA-N 0 0 410.275 4.277 20 30 HIEDRN CSCC[C@](C)(C#N)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000558213628 943436138 /nfs/dbraw/zinc/43/61/38/943436138.db2.gz YJQOHGTYNGVSGZ-CQSZACIVSA-N 0 0 416.391 4.399 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000558241676 943453936 /nfs/dbraw/zinc/45/39/36/943453936.db2.gz RMVHZCGPLUCZTI-UHFFFAOYSA-N 0 0 423.444 4.412 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N3CCOC[C@H]3CC(F)F)c2)cc1 ZINC000558285705 943483156 /nfs/dbraw/zinc/48/31/56/943483156.db2.gz DQGWACZTYCGZJG-LJQANCHMSA-N 0 0 415.440 4.220 20 30 HIEDRN N#Cc1cccc(-n2ccc(-c3nc(-c4cccc(NC(=O)c5ccco5)c4)no3)n2)c1 ZINC000558304086 943494382 /nfs/dbraw/zinc/49/43/82/943494382.db2.gz LUQBQVZDGHASBZ-UHFFFAOYSA-N 0 0 422.404 4.306 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)cc2)cc1 ZINC000558307979 943496130 /nfs/dbraw/zinc/49/61/30/943496130.db2.gz HTVARXMIWILNPD-DNVCBOLYSA-N 0 0 419.403 4.375 20 30 HIEDRN COC(=O)c1cc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c(F)cc1F ZINC000558311292 943498659 /nfs/dbraw/zinc/49/86/59/943498659.db2.gz MBTXITKKRBYFBG-UHFFFAOYSA-N 0 0 424.272 4.370 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000558315383 943501066 /nfs/dbraw/zinc/50/10/66/943501066.db2.gz FBNMEMLXOGMPBM-FQEVSTJZSA-N 0 0 414.502 4.330 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000558320976 943505404 /nfs/dbraw/zinc/50/54/04/943505404.db2.gz WOZQNWFYPDLPQL-BTYIYWSLSA-N 0 0 409.461 4.284 20 30 HIEDRN CSc1nc(C2CC2)cc(-c2nc(-c3cccc(-c4n[nH]c(C)n4)c3)no2)c1C#N ZINC000558343868 943518509 /nfs/dbraw/zinc/51/85/09/943518509.db2.gz NEILNCVULUMZJQ-UHFFFAOYSA-N 0 0 415.482 4.363 20 30 HIEDRN C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000558450188 943562292 /nfs/dbraw/zinc/56/22/92/943562292.db2.gz CDJQFYKHQKPNOA-DLBZAZTESA-N 0 0 404.392 4.055 20 30 HIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC000558452546 943562961 /nfs/dbraw/zinc/56/29/61/943562961.db2.gz OGVGFDJMVDMTEB-INIZCTEOSA-N 0 0 403.461 4.178 20 30 HIEDRN N#CCCC[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000558453886 943563657 /nfs/dbraw/zinc/56/36/57/943563657.db2.gz CFOGUGLNSCMUCE-GOSISDBHSA-N 0 0 404.297 4.275 20 30 HIEDRN C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCCC[C@@H]1c1ccccc1 ZINC000558455847 943564417 /nfs/dbraw/zinc/56/44/17/943564417.db2.gz JKCYYZOGRAQPSV-OAQYLSRUSA-N 0 0 422.554 4.266 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1C#N ZINC000558474571 943569379 /nfs/dbraw/zinc/56/93/79/943569379.db2.gz ASMDXLQQYKATTI-UHFFFAOYSA-N 0 0 419.510 4.470 20 30 HIEDRN COc1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)ccc1C#N ZINC000558489717 943573959 /nfs/dbraw/zinc/57/39/59/943573959.db2.gz PAPCEQRTPVQANN-UHFFFAOYSA-N 0 0 418.428 4.280 20 30 HIEDRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000558516079 943585340 /nfs/dbraw/zinc/58/53/40/943585340.db2.gz LQQBBOCWSSSGHF-OAHLLOKOSA-N 0 0 407.285 4.476 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000558578008 943606251 /nfs/dbraw/zinc/60/62/51/943606251.db2.gz FIKCONDHBGSZNH-UHFFFAOYSA-N 0 0 421.501 4.357 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000558594081 943611720 /nfs/dbraw/zinc/61/17/20/943611720.db2.gz AKBKYGIPACVCSK-UHFFFAOYSA-N 0 0 404.695 4.195 20 30 HIEDRN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558594444 943612618 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HIEDRN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cn1 ZINC000558807800 943671443 /nfs/dbraw/zinc/67/14/43/943671443.db2.gz LXYHBNGFBAUGGA-UHFFFAOYSA-N 0 0 416.437 4.348 20 30 HIEDRN Cn1cc(Br)c(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1 ZINC000558825799 943681560 /nfs/dbraw/zinc/68/15/60/943681560.db2.gz CEKSAZUFCPRYMV-UHFFFAOYSA-N 0 0 415.316 4.490 20 30 HIEDRN CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCS1 ZINC000558913993 943743869 /nfs/dbraw/zinc/74/38/69/943743869.db2.gz XYCZZNKMMDFKEV-NRFANRHFSA-N 0 0 419.554 4.109 20 30 HIEDRN COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)cc1 ZINC000558928088 943751382 /nfs/dbraw/zinc/75/13/82/943751382.db2.gz JMWSPOUHNATHSO-UHFFFAOYSA-N 0 0 415.541 4.250 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000558962639 943772388 /nfs/dbraw/zinc/77/23/88/943772388.db2.gz TWKGGFPWDXOPBJ-QHCPKHFHSA-N 0 0 405.542 4.008 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC000558964669 943772930 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HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC000558989874 943791185 /nfs/dbraw/zinc/79/11/85/943791185.db2.gz BWKPSNYEHCZWTN-UHFFFAOYSA-N 0 0 422.371 4.396 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(COC)CC1 ZINC000558994340 943793400 /nfs/dbraw/zinc/79/34/00/943793400.db2.gz WKYMTQFZAOLACA-UHFFFAOYSA-N 0 0 405.340 4.147 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C2CC2)C1 ZINC000558995635 943794494 /nfs/dbraw/zinc/79/44/94/943794494.db2.gz HNXNKUXGKYEZDX-KRWDZBQOSA-N 0 0 421.314 4.038 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000558999244 943796364 /nfs/dbraw/zinc/79/63/64/943796364.db2.gz SRGKXKBTOFZGRS-QVKFZJNVSA-N 0 0 420.916 4.088 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1csc([C@@H](C)OCC)n1 ZINC000558999060 943796564 /nfs/dbraw/zinc/79/65/64/943796564.db2.gz KXFTYFNWYPVVGD-MRXNPFEDSA-N 0 0 412.563 4.030 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000558998430 943796721 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DEWBIOFOXPIGFB-ZWKOTPCHSA-N 0 0 420.561 4.294 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000559003635 943798960 /nfs/dbraw/zinc/79/89/60/943798960.db2.gz DKHWJUQCAJAJAA-QGZVFWFLSA-N 0 0 413.547 4.291 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCN(c2ncc(CC)s2)CC1 ZINC000559005526 943800652 /nfs/dbraw/zinc/80/06/52/943800652.db2.gz NDXHVBGMAYXCDQ-UHFFFAOYSA-N 0 0 414.604 4.237 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](COCC)C1 ZINC000559005494 943800682 /nfs/dbraw/zinc/80/06/82/943800682.db2.gz LQVFXHGBGZLSON-ZDUSSCGKSA-N 0 0 411.369 4.208 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000559006550 943801398 /nfs/dbraw/zinc/80/13/98/943801398.db2.gz WZNDBZAJPJFAIB-JKSUJKDBSA-N 0 0 402.926 4.046 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(c2ccnn2CC)CC1 ZINC000559008659 943801651 /nfs/dbraw/zinc/80/16/51/943801651.db2.gz DFUAOPBLHPVLDG-UHFFFAOYSA-N 0 0 420.561 4.171 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000559010237 943803405 /nfs/dbraw/zinc/80/34/05/943803405.db2.gz BJCLALGVXYUSFJ-SFTDATJTSA-N 0 0 405.546 4.110 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)Cc3ccc(Cl)cc3Cl)CC2)o1 ZINC000559013613 943804215 /nfs/dbraw/zinc/80/42/15/943804215.db2.gz QHZVUUKROAFOQI-LBPRGKRZSA-N 0 0 421.328 4.125 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC000559012366 943804292 /nfs/dbraw/zinc/80/42/92/943804292.db2.gz WCLBTEJQUUDQOI-SFHVURJKSA-N 0 0 409.921 4.151 20 30 HIEDRN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(OCC2CC2)CC1 ZINC000559022490 943807588 /nfs/dbraw/zinc/80/75/88/943807588.db2.gz LTQFZSPCLLYHJJ-UHFFFAOYSA-N 0 0 410.562 4.445 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000559026721 943809218 /nfs/dbraw/zinc/80/92/18/943809218.db2.gz VETHRLLXZZKNPV-UHFFFAOYSA-N 0 0 421.932 4.137 20 30 HIEDRN C=CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCOCC)CC1 ZINC000559061161 943819388 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HIEDRN N#Cc1c(F)cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1F ZINC000559255370 943887001 /nfs/dbraw/zinc/88/70/01/943887001.db2.gz AEPQFTLPVQEILD-UHFFFAOYSA-N 0 0 412.421 4.472 20 30 HIEDRN N#Cc1c(F)cc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1F ZINC000559263580 943887535 /nfs/dbraw/zinc/88/75/35/943887535.db2.gz XHYWWRMNUIHLNT-JOCHJYFZSA-N 0 0 419.431 4.014 20 30 HIEDRN N#CC1(CNC(=O)NCCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000559315074 943894681 /nfs/dbraw/zinc/89/46/81/943894681.db2.gz CAQUQKLGJSBNCO-UHFFFAOYSA-N 0 0 419.916 4.338 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000559351805 943904858 /nfs/dbraw/zinc/90/48/58/943904858.db2.gz DFWPCGFCBIZVCI-UHFFFAOYSA-N 0 0 410.477 4.079 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 ZINC000559375167 943920722 /nfs/dbraw/zinc/92/07/22/943920722.db2.gz HFEHTPUBFCMIPV-DNVCBOLYSA-N 0 0 415.331 4.450 20 30 HIEDRN C[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000559438035 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COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000063788855 851763438 /nfs/dbraw/zinc/76/34/38/851763438.db2.gz LFTAOSDNBBZKIA-UHFFFAOYSA-N 0 0 409.505 4.367 20 30 HIEDRN CCOc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cc([O-])ccc2C)cc1 ZINC000063857227 851779415 /nfs/dbraw/zinc/77/94/15/851779415.db2.gz IKGNCYZQKLBVLY-UHFFFAOYSA-O 0 0 407.515 4.438 20 30 HIEDRN O=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063912362 851792491 /nfs/dbraw/zinc/79/24/91/851792491.db2.gz NMRRUCWIXKRVFG-UHFFFAOYSA-N 0 0 403.275 4.386 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000063961993 851804440 /nfs/dbraw/zinc/80/44/40/851804440.db2.gz DOFFVUHAPXDJOL-GOSISDBHSA-N 0 0 402.281 4.417 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000063960521 851804538 /nfs/dbraw/zinc/80/45/38/851804538.db2.gz SUTIIZMOKDRKLC-UHFFFAOYSA-N 0 0 419.506 4.334 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)CCSCCC(=O)Nc1cc(C#N)ccc1C ZINC000063960513 851804547 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Cc1ccc(C)c(OCC(=O)Nc2ncn(Cc3cccc(Br)c3)n2)c1 ZINC000064463322 851903487 /nfs/dbraw/zinc/90/34/87/851903487.db2.gz PCUFMAUQLZOFJC-UHFFFAOYSA-N 0 0 415.291 4.373 20 30 HIEDRN CCc1ccccc1OCC(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000064463894 851904194 /nfs/dbraw/zinc/90/41/94/851904194.db2.gz GXIASPUIBCPVFV-UHFFFAOYSA-N 0 0 415.291 4.318 20 30 HIEDRN C=CCn1c(SCc2csc(-c3ccc(C(N)=O)cc3)n2)nnc1-c1ccco1 ZINC000064653257 851948368 /nfs/dbraw/zinc/94/83/68/851948368.db2.gz POHRSYYGMZFTQF-UHFFFAOYSA-N 0 0 423.523 4.239 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000064723431 851968581 /nfs/dbraw/zinc/96/85/81/851968581.db2.gz GNNMYFPIZXPHLZ-OAHLLOKOSA-N 0 0 421.840 4.449 20 30 HIEDRN CCCCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C(C)C)cc1 ZINC000064763388 851979832 /nfs/dbraw/zinc/97/98/32/851979832.db2.gz PGGURWMTROPSNH-JOCHJYFZSA-N 0 0 407.514 4.361 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000064778270 851982656 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CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1C#N ZINC000065159720 852081505 /nfs/dbraw/zinc/08/15/05/852081505.db2.gz XORPNWRMRZRMHQ-UHFFFAOYSA-N 0 0 420.538 4.431 20 30 HIEDRN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000437130705 862321083 /nfs/dbraw/zinc/32/10/83/862321083.db2.gz ZUAWFPADFZMVRI-LJQANCHMSA-N 0 0 401.869 4.015 20 30 HIEDRN CCOc1ccc(CN2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1 ZINC000065473185 852147809 /nfs/dbraw/zinc/14/78/09/852147809.db2.gz ZGKCZDCNLYFCTO-UHFFFAOYSA-N 0 0 422.529 4.094 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)CSCc3ccncc3)c2)c1 ZINC000065503966 852159872 /nfs/dbraw/zinc/15/98/72/852159872.db2.gz LTPGISDWLLCWPH-UHFFFAOYSA-N 0 0 402.479 4.077 20 30 HIEDRN Cc1ccc(-c2nc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n[nH]2)cc1 ZINC000065632514 852203827 /nfs/dbraw/zinc/20/38/27/852203827.db2.gz DGYQGCRIJDCHLM-UHFFFAOYSA-N 0 0 409.449 4.483 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000065776393 852251534 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N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](CO)Cc3ccccc3)c2)cc1 ZINC000071926397 852432202 /nfs/dbraw/zinc/43/22/02/852432202.db2.gz DDKWMJFNGFKPON-HSZRJFAPSA-N 0 0 415.493 4.057 20 30 HIEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000071938183 852438278 /nfs/dbraw/zinc/43/82/78/852438278.db2.gz QIXBWSHDGCUWGR-UHFFFAOYSA-N 0 0 421.884 4.006 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)Cc3ccccc3O)c2)c1 ZINC000071941109 852439444 /nfs/dbraw/zinc/43/94/44/852439444.db2.gz HTBFUOAQGIALNJ-UHFFFAOYSA-N 0 0 414.461 4.243 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC000071941133 852439722 /nfs/dbraw/zinc/43/97/22/852439722.db2.gz WHBASWWDSAYEPK-FQEVSTJZSA-N 0 0 405.564 4.070 20 30 HIEDRN CCN(CC)c1ccc(-c2nnc(SCCOc3cccc(C#N)c3)n2C)cc1 ZINC000071961152 852447223 /nfs/dbraw/zinc/44/72/23/852447223.db2.gz QMVHMWXRUQJMKV-UHFFFAOYSA-N 0 0 407.543 4.371 20 30 HIEDRN CC(C)COC(=O)Nc1cccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000072037378 852479194 /nfs/dbraw/zinc/47/91/94/852479194.db2.gz VONVMQIIUHRSNL-UHFFFAOYSA-N 0 0 400.866 4.467 20 30 HIEDRN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(c2ccccc2C#N)CC1 ZINC000072073577 852497197 /nfs/dbraw/zinc/49/71/97/852497197.db2.gz WWXIHJSEAHVHDT-UHFFFAOYSA-N 0 0 405.933 4.087 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000072077901 852497996 /nfs/dbraw/zinc/49/79/96/852497996.db2.gz NNECPXWXVONNBU-LLVKDONJSA-N 0 0 406.313 4.023 20 30 HIEDRN COC(=O)CSCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000078661610 852524133 /nfs/dbraw/zinc/52/41/33/852524133.db2.gz UPMYGHONYPYJOD-QGZVFWFLSA-N 0 0 402.903 4.230 20 30 HIEDRN Cc1cc(=O)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)nn1-c1ccccc1 ZINC000078719945 852526908 /nfs/dbraw/zinc/52/69/08/852526908.db2.gz BXOIRHCKWWMDMZ-UHFFFAOYSA-N 0 0 422.444 4.457 20 30 HIEDRN N#Cc1ccc(CSCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000096549589 852550689 /nfs/dbraw/zinc/55/06/89/852550689.db2.gz OBCBGUDCWODORS-UHFFFAOYSA-N 0 0 407.520 4.258 20 30 HIEDRN N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000096756865 852555017 /nfs/dbraw/zinc/55/50/17/852555017.db2.gz ORWZRFSCZSJXOY-UHFFFAOYSA-N 0 0 423.519 4.325 20 30 HIEDRN CN(CCC#N)CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000096969442 852565778 /nfs/dbraw/zinc/56/57/78/852565778.db2.gz CCKGLKWHLODLRS-UHFFFAOYSA-N 0 0 408.502 4.328 20 30 HIEDRN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCCC2 ZINC000096994887 852571387 /nfs/dbraw/zinc/57/13/87/852571387.db2.gz RVAKWHVVUMYMRO-UHFFFAOYSA-N 0 0 402.863 4.124 20 30 HIEDRN C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000096999387 852572442 /nfs/dbraw/zinc/57/24/42/852572442.db2.gz FNVLQPJLPPUCBU-ITRAFESCSA-N 0 0 406.511 4.493 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N[C@H](C)CC ZINC000097055262 852578305 /nfs/dbraw/zinc/57/83/05/852578305.db2.gz WHAUNKVDJVBLJS-ZIAGYGMSSA-N 0 0 408.955 4.092 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000097052633 852578651 /nfs/dbraw/zinc/57/86/51/852578651.db2.gz RCKHVZVRPCJVPG-UHFFFAOYSA-N 0 0 413.462 4.084 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)N(C)C2CCCCC2)C(C)C)nnc1-c1ccncc1 ZINC000097088545 852581442 /nfs/dbraw/zinc/58/14/42/852581442.db2.gz KRAQXZZCPNHYPO-LJQANCHMSA-N 0 0 413.591 4.434 20 30 HIEDRN Cc1nc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N ZINC000097284693 852595504 /nfs/dbraw/zinc/59/55/04/852595504.db2.gz QAXMXKJDJJSOPB-SFHVURJKSA-N 0 0 417.296 4.202 20 30 HIEDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC000097334980 852602956 /nfs/dbraw/zinc/60/29/56/852602956.db2.gz NUAHHQHSVCRYFQ-SFHVURJKSA-N 0 0 409.877 4.249 20 30 HIEDRN COc1cc(C)c([C@@H](C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000097359750 852604664 /nfs/dbraw/zinc/60/46/64/852604664.db2.gz XBLOEPOHWUEAKC-OAHLLOKOSA-N 0 0 420.431 4.443 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)s2)cc1 ZINC000097366750 852606559 /nfs/dbraw/zinc/60/65/59/852606559.db2.gz PQUAAHISROTNSI-UHFFFAOYSA-N 0 0 412.474 4.213 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cc(Br)cs1 ZINC000097413859 852609665 /nfs/dbraw/zinc/60/96/65/852609665.db2.gz YVUWMZSOGXHWGC-UHFFFAOYSA-N 0 0 417.250 4.380 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H](CO)c3ccccc3)c2)cc1 ZINC000097414114 852609857 /nfs/dbraw/zinc/60/98/57/852609857.db2.gz VECBWOQYKLLVFK-QHCPKHFHSA-N 0 0 401.466 4.187 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097492050 852618268 /nfs/dbraw/zinc/61/82/68/852618268.db2.gz OXCVBCGDNHALDT-AWEZNQCLSA-N 0 0 410.386 4.144 20 30 HIEDRN CCCc1c(NC(=O)c2cc(C#N)oc2C)cnn1-c1cc(F)c(OC)cc1F ZINC000437182224 862376416 /nfs/dbraw/zinc/37/64/16/862376416.db2.gz SVBGUJUNRRMFCE-UHFFFAOYSA-N 0 0 400.385 4.137 20 30 HIEDRN C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1SCc1c(C)noc1C ZINC000104471284 852669858 /nfs/dbraw/zinc/66/98/58/852669858.db2.gz BCPNNNIBPMELHE-UHFFFAOYSA-N 0 0 402.516 4.165 20 30 HIEDRN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000104671638 852673540 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CCOC(=O)c1cnn(-c2ccc(NC(=O)C3(C#N)CCCC3)cc2)c1C(F)(F)F ZINC000106038281 852749107 /nfs/dbraw/zinc/74/91/07/852749107.db2.gz KUHQUSOEIVVHFH-UHFFFAOYSA-N 0 0 420.391 4.090 20 30 HIEDRN C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000106315041 852770043 /nfs/dbraw/zinc/77/00/43/852770043.db2.gz TXLATNXUZNKVEQ-ROUUACIJSA-N 0 0 413.477 4.455 20 30 HIEDRN Cc1occc1C(=O)Nc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1F ZINC000107550367 852775039 /nfs/dbraw/zinc/77/50/39/852775039.db2.gz TYIHPGKBVDSKPX-CQSZACIVSA-N 0 0 407.401 4.257 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000107805649 852798537 /nfs/dbraw/zinc/79/85/37/852798537.db2.gz MYDHSCMMTNXIIW-UHFFFAOYSA-N 0 0 401.422 4.006 20 30 HIEDRN CCOc1cc(C#N)cc(Cl)c1OC(=O)c1sc(-c2ncccn2)nc1C ZINC000108278585 852835156 /nfs/dbraw/zinc/83/51/56/852835156.db2.gz HDKZJNHTCGSUND-UHFFFAOYSA-N 0 0 400.847 4.052 20 30 HIEDRN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)n1 ZINC000108593124 852863836 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KNTRXORCJSHUHR-UHFFFAOYSA-N 0 0 400.017 4.064 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)n2)c1 ZINC000409450883 855484194 /nfs/dbraw/zinc/48/41/94/855484194.db2.gz AUUBEXVPDANBFX-UHFFFAOYSA-N 0 0 407.405 4.398 20 30 HIEDRN C[C@H](C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1)n1cnc(C#N)n1 ZINC000409459668 855489319 /nfs/dbraw/zinc/48/93/19/855489319.db2.gz VKOZZDBAEXQIDC-OAHLLOKOSA-N 0 0 414.494 4.064 20 30 HIEDRN Cc1csc(-c2cccc(S(=O)(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)n1 ZINC000409474729 855499412 /nfs/dbraw/zinc/49/94/12/855499412.db2.gz FWZMEQPANRYWRI-UHFFFAOYSA-N 0 0 421.547 4.468 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H]3c3cccc(Br)c3)n2)c1 ZINC000409480064 855502053 /nfs/dbraw/zinc/50/20/53/855502053.db2.gz SMNJANSQRQFSET-HXUWFJFHSA-N 0 0 421.298 4.484 20 30 HIEDRN CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409496907 855509539 /nfs/dbraw/zinc/50/95/39/855509539.db2.gz AZNGYXLUWDGCSO-ZWKOTPCHSA-N 0 0 415.559 4.081 20 30 HIEDRN Cc1ccccc1C1(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCC1 ZINC000409499620 855510725 /nfs/dbraw/zinc/51/07/25/855510725.db2.gz LVCIGJRTEUSAHK-UHFFFAOYSA-N 0 0 401.510 4.166 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000409533839 855528271 /nfs/dbraw/zinc/52/82/71/855528271.db2.gz HVNAOUNEQINZSD-QEORTHHSSA-N 0 0 405.281 4.495 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000409537074 855530545 /nfs/dbraw/zinc/53/05/45/855530545.db2.gz MERDBFXEONOUQD-YSVLISHTSA-N 0 0 405.281 4.495 20 30 HIEDRN C[C@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409566292 855544009 /nfs/dbraw/zinc/54/40/09/855544009.db2.gz WLTLLEMCGAGTGF-SNVBAGLBSA-N 0 0 404.360 4.237 20 30 HIEDRN CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409579755 855551484 /nfs/dbraw/zinc/55/14/84/855551484.db2.gz XOCDVKXWVHRGSP-UHFFFAOYSA-N 0 0 411.430 4.007 20 30 HIEDRN CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409591416 855555632 /nfs/dbraw/zinc/55/56/32/855555632.db2.gz KRJRWDQZESLGHY-UHFFFAOYSA-N 0 0 400.397 4.315 20 30 HIEDRN C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409623605 855569964 /nfs/dbraw/zinc/56/99/64/855569964.db2.gz IDSRHBMMDODEGI-AWEZNQCLSA-N 0 0 405.395 4.168 20 30 HIEDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1ccc(C#N)cc1F)C1CC1 ZINC000437383124 862695553 /nfs/dbraw/zinc/69/55/53/862695553.db2.gz WDJHZKSZOLGSEC-LBPRGKRZSA-N 0 0 419.378 4.407 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NCCOc2ncccc2F)cc1 ZINC000437385022 862700628 /nfs/dbraw/zinc/70/06/28/862700628.db2.gz LHKRUTVBWXRACN-UHFFFAOYSA-N 0 0 420.444 4.066 20 30 HIEDRN N#Cc1nc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)ccc1C(F)(F)F ZINC000409718382 855618341 /nfs/dbraw/zinc/61/83/41/855618341.db2.gz VEEFNJYBIWSOOD-UHFFFAOYSA-N 0 0 414.362 4.976 20 30 HIEDRN CN1CCO[C@@H]([C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727202 855622916 /nfs/dbraw/zinc/62/29/16/855622916.db2.gz KAROTVFDKIOCFS-AEFFLSMTSA-N 0 0 410.827 4.109 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)n1 ZINC000409739425 855628681 /nfs/dbraw/zinc/62/86/81/855628681.db2.gz IOZPOIPAGAMUOD-GOSISDBHSA-N 0 0 410.481 4.038 20 30 HIEDRN COc1ccc(-c2csc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)cc1 ZINC000409769917 855645083 /nfs/dbraw/zinc/64/50/83/855645083.db2.gz IYUZBRUSCZSKNE-UHFFFAOYSA-N 0 0 414.490 4.411 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000409771496 855645929 /nfs/dbraw/zinc/64/59/29/855645929.db2.gz RATNHLNTTHKYKW-AWEZNQCLSA-N 0 0 400.350 4.386 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000409771499 855645982 /nfs/dbraw/zinc/64/59/82/855645982.db2.gz RATNHLNTTHKYKW-CQSZACIVSA-N 0 0 400.350 4.386 20 30 HIEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000409786396 855653072 /nfs/dbraw/zinc/65/30/72/855653072.db2.gz IFFWBJWDGZKHKA-UHFFFAOYSA-N 0 0 421.504 4.238 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 ZINC000437387385 862707544 /nfs/dbraw/zinc/70/75/44/862707544.db2.gz HWBRPHDXCLGSSS-CQSZACIVSA-N 0 0 415.877 4.088 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H](c3cccc(Cl)c3)c3ccccn3)n2)c1 ZINC000409835983 855679595 /nfs/dbraw/zinc/67/95/95/855679595.db2.gz ZFRYGDCKVCGOOB-QFIPXVFZSA-N 0 0 413.868 4.312 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)n2)c1 ZINC000409838267 855680334 /nfs/dbraw/zinc/68/03/34/855680334.db2.gz VNZDPPOBXCIQLJ-QGZVFWFLSA-N 0 0 417.538 4.099 20 30 HIEDRN CC(C)N(CC(F)(F)F)C(=O)CNc1ccc(F)cc1OCCC(F)(F)F ZINC000409850663 855687271 /nfs/dbraw/zinc/68/72/71/855687271.db2.gz VJZPPJSRMSZKRS-UHFFFAOYSA-N 0 0 404.326 4.368 20 30 HIEDRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000409904602 855715900 /nfs/dbraw/zinc/71/59/00/855715900.db2.gz LOWMSCHAUQUHND-HNNXBMFYSA-N 0 0 419.934 4.030 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CC[C@H](c4cccc(C(F)(F)F)c4)C3)n2)c1 ZINC000409930604 855729839 /nfs/dbraw/zinc/72/98/39/855729839.db2.gz HZZNEMJBOGMPSC-KRWDZBQOSA-N 0 0 410.399 4.392 20 30 HIEDRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000409934648 855732406 /nfs/dbraw/zinc/73/24/06/855732406.db2.gz WWPJNBVTXAUGKQ-HNNXBMFYSA-N 0 0 419.934 4.030 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)c1cccc(O)c1 ZINC000437392340 862719524 /nfs/dbraw/zinc/71/95/24/862719524.db2.gz DDPRESSGHVLAKA-HZPDHXFCSA-N 0 0 411.527 4.335 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000410051016 855800564 /nfs/dbraw/zinc/80/05/64/855800564.db2.gz VUPQHSDGOOIBBM-UHFFFAOYSA-N 0 0 409.530 4.295 20 30 HIEDRN Cc1nc2cc(C(=O)NCCOc3ccc(C#N)cc3)ccc2n1Cc1ccsc1 ZINC000410072565 855808463 /nfs/dbraw/zinc/80/84/63/855808463.db2.gz OLQMBUQAWLKSCG-UHFFFAOYSA-N 0 0 416.506 4.135 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)c1ccccc1SC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000410083434 855811454 /nfs/dbraw/zinc/81/14/54/855811454.db2.gz AXAHYDSSISTATP-SJORKVTESA-N 0 0 422.558 4.404 20 30 HIEDRN Cc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(C#N)c2)c(Br)c1 ZINC000410099788 855819716 /nfs/dbraw/zinc/81/97/16/855819716.db2.gz FVHAOTBPRXFDOC-LJQANCHMSA-N 0 0 413.315 4.451 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1=O ZINC000410105045 855822057 /nfs/dbraw/zinc/82/20/57/855822057.db2.gz MCVQVXTWNXWSPN-WOJBJXKFSA-N 0 0 416.493 4.044 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NCc2ccc(-c3cccnc3)cc2)ccc1C(F)(F)F ZINC000410145923 855837900 /nfs/dbraw/zinc/83/79/00/855837900.db2.gz QNOIVGRVIXXSFJ-UHFFFAOYSA-N 0 0 417.412 4.118 20 30 HIEDRN N#CCCCn1cc(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)c2ccccc21 ZINC000410158293 855843384 /nfs/dbraw/zinc/84/33/84/855843384.db2.gz PJUMXDNVDRHDRE-UHFFFAOYSA-N 0 0 421.888 4.380 20 30 HIEDRN N#Cc1ccc(NCC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000410169537 855848299 /nfs/dbraw/zinc/84/82/99/855848299.db2.gz GKZCHGMVUDVDOY-UHFFFAOYSA-N 0 0 421.394 4.356 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](NC(=O)c2ccc(C#N)cc2)CCC3)cc1 ZINC000410239201 855876563 /nfs/dbraw/zinc/87/65/63/855876563.db2.gz WQGLPGIIZSYHKI-DEOSSOPVSA-N 0 0 420.472 4.490 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)c2)cc1 ZINC000410275516 855896049 /nfs/dbraw/zinc/89/60/49/855896049.db2.gz LENRJTVABDERPB-ZEQRLZLVSA-N 0 0 413.477 4.111 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000410321698 855927327 /nfs/dbraw/zinc/92/73/27/855927327.db2.gz AELNQLBQFMQXKF-HXUWFJFHSA-N 0 0 406.530 4.046 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000410344747 855939374 /nfs/dbraw/zinc/93/93/74/855939374.db2.gz MMVXGQJIXNMUNW-UHFFFAOYSA-N 0 0 417.486 4.435 20 30 HIEDRN C=CCCc1ccccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000410343048 855939410 /nfs/dbraw/zinc/93/94/10/855939410.db2.gz BEECTYVSNRNYEK-UHFFFAOYSA-N 0 0 412.555 4.161 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000410354593 855945854 /nfs/dbraw/zinc/94/58/54/855945854.db2.gz QJBGJXKUBMHGBQ-NFBKMPQASA-N 0 0 410.514 4.474 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000410356795 855948055 /nfs/dbraw/zinc/94/80/55/855948055.db2.gz YETPTTIMCIWUJH-GOSISDBHSA-N 0 0 418.584 4.215 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000410398996 855973551 /nfs/dbraw/zinc/97/35/51/855973551.db2.gz SPANFICHOVWYHI-HNNXBMFYSA-N 0 0 407.495 4.191 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc2[nH]ccc21 ZINC000425983366 856029527 /nfs/dbraw/zinc/02/95/27/856029527.db2.gz URHYADMBXKIKNM-UHFFFAOYSA-N 0 0 400.438 4.465 20 30 HIEDRN CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425994218 856035839 /nfs/dbraw/zinc/03/58/39/856035839.db2.gz GBSXPJHDYXRWNI-UHFFFAOYSA-N 0 0 403.413 4.087 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000426073094 856088769 /nfs/dbraw/zinc/08/87/69/856088769.db2.gz OGRBGHSGHSADNI-UHFFFAOYSA-N 0 0 422.464 4.351 20 30 HIEDRN COc1cc(Br)ccc1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000426077896 856092123 /nfs/dbraw/zinc/09/21/23/856092123.db2.gz GQRSOJVHLHAUJK-UHFFFAOYSA-N 0 0 405.296 4.208 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000426095598 856104800 /nfs/dbraw/zinc/10/48/00/856104800.db2.gz FWVRAMCZCHLCGM-RBBKRZOGSA-N 0 0 401.470 4.204 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c(Cl)c1 ZINC000426138030 856133297 /nfs/dbraw/zinc/13/32/97/856133297.db2.gz QLMVGYDUQQEQDL-LJQANCHMSA-N 0 0 419.312 4.060 20 30 HIEDRN CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000426142721 856135281 /nfs/dbraw/zinc/13/52/81/856135281.db2.gz WHYABOGBQHMBRW-TZIWHRDSSA-N 0 0 412.921 4.013 20 30 HIEDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426143996 856136873 /nfs/dbraw/zinc/13/68/73/856136873.db2.gz RVZAAYHJERTHNL-UHFFFAOYSA-N 0 0 409.776 4.206 20 30 HIEDRN COc1cc(Br)c(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1OC ZINC000426159562 856146149 /nfs/dbraw/zinc/14/61/49/856146149.db2.gz FXYSFRPRZKWWSK-UHFFFAOYSA-N 0 0 424.682 4.313 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc21 ZINC000437408094 862765317 /nfs/dbraw/zinc/76/53/17/862765317.db2.gz DANFJKYLZDWPAN-CQSZACIVSA-N 0 0 422.872 4.237 20 30 HIEDRN CCc1cnc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 ZINC000426222145 856186573 /nfs/dbraw/zinc/18/65/73/856186573.db2.gz IGNDGYFNROQHIP-UHFFFAOYSA-N 0 0 420.494 4.042 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000426277792 856216617 /nfs/dbraw/zinc/21/66/17/856216617.db2.gz LBRDULPQPQSUOF-MOPGFXCFSA-N 0 0 422.554 4.428 20 30 HIEDRN COc1ccc(NC(=O)Cc2noc(-c3sc4ccc(C#N)cc4c3C)n2)cc1 ZINC000426431501 856288035 /nfs/dbraw/zinc/28/80/35/856288035.db2.gz DNDNYNHUHCSSNK-UHFFFAOYSA-N 0 0 404.451 4.321 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2cccc(N3CCNC3=O)c2)no1 ZINC000426438980 856291101 /nfs/dbraw/zinc/29/11/01/856291101.db2.gz FTHHEQDQUHYXRR-UHFFFAOYSA-N 0 0 401.451 4.328 20 30 HIEDRN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426563688 856349930 /nfs/dbraw/zinc/34/99/30/856349930.db2.gz XVNXKEBIGWPZLT-QMHKHESXSA-N 0 0 411.461 4.339 20 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ZINC000428878840 857384602 /nfs/dbraw/zinc/38/46/02/857384602.db2.gz BZLUCEHMMORZET-ZIAGYGMSSA-N 0 0 400.470 4.039 20 30 HIEDRN N#CCCN(CC1CC1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000428887188 857390724 /nfs/dbraw/zinc/39/07/24/857390724.db2.gz WZSFWWQRUPFXIO-UHFFFAOYSA-N 0 0 403.548 4.092 20 30 HIEDRN Cc1cc(N2CCC(NC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)nc(C)n1 ZINC000428887209 857391447 /nfs/dbraw/zinc/39/14/47/857391447.db2.gz LYVDSNCWNBHVIN-INIZCTEOSA-N 0 0 424.574 4.278 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000428890598 857394538 /nfs/dbraw/zinc/39/45/38/857394538.db2.gz VCXMEXHKYRDUIA-QZXCRCNTSA-N 0 0 401.557 4.482 20 30 HIEDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428905115 857404917 /nfs/dbraw/zinc/40/49/17/857404917.db2.gz JNQCUOPQUMXXSS-IBGZPJMESA-N 0 0 402.498 4.278 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000437603033 862916480 /nfs/dbraw/zinc/91/64/80/862916480.db2.gz 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CCn1c2ccc(F)cc2nc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429095632 857507695 /nfs/dbraw/zinc/50/76/95/857507695.db2.gz SIEVLHIWWYHCSP-UHFFFAOYSA-N 0 0 402.433 4.225 20 30 HIEDRN Cn1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)c2ccccc2c1=O ZINC000429108027 857512612 /nfs/dbraw/zinc/51/26/12/857512612.db2.gz SKSQROMYVZEXJI-SFHVURJKSA-N 0 0 410.458 4.024 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000429119628 857518933 /nfs/dbraw/zinc/51/89/33/857518933.db2.gz XOUSSHSIAYFCKF-JOCHJYFZSA-N 0 0 415.468 4.282 20 30 HIEDRN CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000429175992 857541642 /nfs/dbraw/zinc/54/16/42/857541642.db2.gz LRMOUTLLSPQVQN-PZJWPPBQSA-N 0 0 424.932 4.470 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000429200654 857550958 /nfs/dbraw/zinc/55/09/58/857550958.db2.gz IDWMCUVDVJRDFC-UHFFFAOYSA-N 0 0 406.486 4.278 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000429225204 857562954 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C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Br)cc1OC ZINC000430276190 858106297 /nfs/dbraw/zinc/10/62/97/858106297.db2.gz LTAROOKCRHOPFE-UHFFFAOYSA-N 0 0 414.303 4.227 20 30 HIEDRN CCCc1c(NC(=O)[C@](C)(OC)c2ccccc2F)cnn1-c1cccc(C#N)c1 ZINC000430347987 858129055 /nfs/dbraw/zinc/12/90/55/858129055.db2.gz YQVCDKRMZJUECO-HSZRJFAPSA-N 0 0 406.461 4.336 20 30 HIEDRN N#Cc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c(Cl)c1 ZINC000430354027 858130839 /nfs/dbraw/zinc/13/08/39/858130839.db2.gz DLOFFBWAGJTXHH-UHFFFAOYSA-N 0 0 409.730 4.203 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c(Cl)c1 ZINC000430359911 858132620 /nfs/dbraw/zinc/13/26/20/858132620.db2.gz OBOCHQJWXLQGSI-UHFFFAOYSA-N 0 0 415.836 4.260 20 30 HIEDRN O=C(NC1CC(F)(F)C1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000430362428 858133735 /nfs/dbraw/zinc/13/37/35/858133735.db2.gz SXDLYBOBFNXKSK-UHFFFAOYSA-N 0 0 407.257 4.096 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1-c1ncc2n1CCCC2 ZINC000430370825 858137523 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C[C@H](CNC(=O)c1cccc(SCC#N)c1)Oc1ccccc1Br ZINC000430646006 858245697 /nfs/dbraw/zinc/24/56/97/858245697.db2.gz VTFXHJCBPZVLDL-CYBMUJFWSA-N 0 0 405.317 4.262 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3c4ccccc4S[C@@H](C)[C@@H]3C)C2)n1 ZINC000430665666 858257755 /nfs/dbraw/zinc/25/77/55/858257755.db2.gz XUMGVODUAHKVPL-LNLFQRSKSA-N 0 0 406.555 4.394 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000430692025 858271744 /nfs/dbraw/zinc/27/17/44/858271744.db2.gz KYATTXCVHJGTRB-OAHLLOKOSA-N 0 0 416.344 4.073 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000430744447 858285808 /nfs/dbraw/zinc/28/58/08/858285808.db2.gz UZNMHEOXFDIGTO-UHFFFAOYSA-N 0 0 423.519 4.355 20 30 HIEDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000437666240 863006916 /nfs/dbraw/zinc/00/69/16/863006916.db2.gz JGZKJWXMYLQISI-HNNXBMFYSA-N 0 0 413.319 4.231 20 30 HIEDRN N#Cc1csc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000437666343 863007371 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858584984 /nfs/dbraw/zinc/58/49/84/858584984.db2.gz SMUGBNDWGYKLRF-UHFFFAOYSA-N 0 0 411.502 4.166 20 30 HIEDRN C=CCn1c(Sc2ncnc3c2ncn3C2CC2)nnc1-c1cccc(Cl)c1 ZINC000431418216 858604845 /nfs/dbraw/zinc/60/48/45/858604845.db2.gz YJJQEULLVCTFSS-UHFFFAOYSA-N 0 0 409.906 4.410 20 30 HIEDRN N#Cc1c(C#N)c(N2CCC(CO)(c3ccccc3)CC2)nc2c1CCCCCC2 ZINC000431478675 858636276 /nfs/dbraw/zinc/63/62/76/858636276.db2.gz TUCNFBWBFJRGBF-UHFFFAOYSA-N 0 0 400.526 4.014 20 30 HIEDRN N#Cc1cnc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000431589573 858679009 /nfs/dbraw/zinc/67/90/09/858679009.db2.gz YUDFYPGECGORNQ-UHFFFAOYSA-N 0 0 411.870 4.286 20 30 HIEDRN COc1ccc(Br)c(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431624845 858695747 /nfs/dbraw/zinc/69/57/47/858695747.db2.gz XRZHNGGROVKVED-KRWDZBQOSA-N 0 0 423.332 4.171 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000431628932 858699005 /nfs/dbraw/zinc/69/90/05/858699005.db2.gz UPEOAQCJKZXHFQ-INIZCTEOSA-N 0 0 411.296 4.302 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(F)c(Br)c1)c1ccccc1 ZINC000431633822 858702573 /nfs/dbraw/zinc/70/25/73/858702573.db2.gz DLINERBOGZTMLI-KRWDZBQOSA-N 0 0 411.296 4.302 20 30 HIEDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000431636990 858703573 /nfs/dbraw/zinc/70/35/73/858703573.db2.gz XXXLDAVFPZSAPG-QGZVFWFLSA-N 0 0 423.897 4.151 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1cccc(Br)c1 ZINC000431723931 858765338 /nfs/dbraw/zinc/76/53/38/858765338.db2.gz LXZOIZWDDVKEES-QGZVFWFLSA-N 0 0 416.275 4.055 20 30 HIEDRN COc1ccc(NC(=O)[C@](N)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F ZINC000431745449 858783517 /nfs/dbraw/zinc/78/35/17/858783517.db2.gz QRAWRBSSWJZJDL-OAHLLOKOSA-N 0 0 410.289 4.208 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(OC(C)(C)C)cc2)cc1 ZINC000437734628 863063193 /nfs/dbraw/zinc/06/31/93/863063193.db2.gz IZAXOZNMSLLUCV-UHFFFAOYSA-N 0 0 417.531 4.314 20 30 HIEDRN COc1ccc([C@H](NC(=O)c2sc3ccc(C#N)cc3c2C)c2nccn2C)cc1 ZINC000431755229 858790491 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CNC(=O)COc1ccc(NC(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 ZINC000432092804 858984348 /nfs/dbraw/zinc/98/43/48/858984348.db2.gz BTHOGVHUXHXUIF-CQSZACIVSA-N 0 0 412.515 4.016 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000432117335 858999174 /nfs/dbraw/zinc/99/91/74/858999174.db2.gz SXDFFDFBPLCQCM-LBPRGKRZSA-N 0 0 407.312 4.462 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000432258020 859071951 /nfs/dbraw/zinc/07/19/51/859071951.db2.gz JCNJOPKEYCFWDR-SFHVURJKSA-N 0 0 400.276 4.235 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 ZINC000432265504 859075487 /nfs/dbraw/zinc/07/54/87/859075487.db2.gz UNRSKZBKTSGOOT-CQSZACIVSA-N 0 0 414.836 4.409 20 30 HIEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000432266933 859076560 /nfs/dbraw/zinc/07/65/60/859076560.db2.gz AAGAPXBKEKNRNZ-GOSISDBHSA-N 0 0 417.328 4.237 20 30 HIEDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1)c1ccccc1 ZINC000432289053 859087380 /nfs/dbraw/zinc/08/73/80/859087380.db2.gz KSBVPDQIBBKPEQ-OAQYLSRUSA-N 0 0 404.514 4.173 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000432295789 859090275 /nfs/dbraw/zinc/09/02/75/859090275.db2.gz CDROJNGBBFPVOZ-UHFFFAOYSA-N 0 0 402.454 4.041 20 30 HIEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000432308837 859097314 /nfs/dbraw/zinc/09/73/14/859097314.db2.gz USHBQMLPDQORNV-SFHVURJKSA-N 0 0 417.328 4.237 20 30 HIEDRN Cc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1F ZINC000432314859 859099312 /nfs/dbraw/zinc/09/93/12/859099312.db2.gz XDJCRBFKVNKHGS-UHFFFAOYSA-N 0 0 419.460 4.267 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c(Cl)c1 ZINC000432333375 859107113 /nfs/dbraw/zinc/10/71/13/859107113.db2.gz GHOAGPYJXXFIEK-MUUNZHRXSA-N 0 0 409.898 4.308 20 30 HIEDRN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432336579 859108220 /nfs/dbraw/zinc/10/82/20/859108220.db2.gz QQMARWLTNVFWDO-IVZQSRNASA-N 0 0 413.905 4.213 20 30 HIEDRN C=CCN(C(=O)NCc1cccc(SCC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000432367038 859124969 /nfs/dbraw/zinc/12/49/69/859124969.db2.gz HYEMHFXBQYOWLT-KRWDZBQOSA-N 0 0 422.558 4.233 20 30 HIEDRN C=CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@H](Cc2ccccn2)C1=O ZINC000432391697 859141187 /nfs/dbraw/zinc/14/11/87/859141187.db2.gz MTHRHHMBOYHEHI-ROUUACIJSA-N 0 0 403.404 4.271 20 30 HIEDRN Cc1nc(=O)[nH]c(C)c1CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000432467038 859177085 /nfs/dbraw/zinc/17/70/85/859177085.db2.gz VYCYKHFFXIDJMK-UHFFFAOYSA-N 0 0 416.481 4.015 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCCc1ccccc1C(F)(F)F ZINC000432485159 859187783 /nfs/dbraw/zinc/18/77/83/859187783.db2.gz YQFYIUHYILYGOU-UHFFFAOYSA-N 0 0 403.404 4.045 20 30 HIEDRN CC(C)(C)OCc1cccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000432498254 859195408 /nfs/dbraw/zinc/19/54/08/859195408.db2.gz WNSMSCWJONXMBR-UHFFFAOYSA-N 0 0 407.514 4.299 20 30 HIEDRN Cc1ccc(Cc2nnc(NC(=O)CCCC(=O)Nc3ccccc3C#N)s2)cc1 ZINC000432498337 859195417 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ZINC000432705332 859306493 /nfs/dbraw/zinc/30/64/93/859306493.db2.gz ISRKADGHBQBPKR-UHFFFAOYSA-N 0 0 414.513 4.170 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCCOc1cccc2ccccc21 ZINC000432719644 859317226 /nfs/dbraw/zinc/31/72/26/859317226.db2.gz RZYIMAODAQBUJD-UHFFFAOYSA-N 0 0 401.466 4.015 20 30 HIEDRN N#Cc1nn(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc12 ZINC000432728536 859322759 /nfs/dbraw/zinc/32/27/59/859322759.db2.gz COBVBPUHOFUOIY-HXUWFJFHSA-N 0 0 419.431 4.353 20 30 HIEDRN C[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(N)=O ZINC000432753074 859336231 /nfs/dbraw/zinc/33/62/31/859336231.db2.gz ABIOXRLZHQWCDS-KSFYIVLOSA-N 0 0 414.465 4.130 20 30 HIEDRN C=CCOc1cccc(NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000432761937 859341553 /nfs/dbraw/zinc/34/15/53/859341553.db2.gz YCZHQOTXGGULCW-QGZVFWFLSA-N 0 0 409.255 4.008 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Br ZINC000432770525 859350417 /nfs/dbraw/zinc/35/04/17/859350417.db2.gz HLIILDXNZSVRFP-UHFFFAOYSA-N 0 0 423.185 4.279 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cc1 ZINC000467607542 881414362 /nfs/dbraw/zinc/41/43/62/881414362.db2.gz TVEPYZJRHDLORE-UHFFFAOYSA-N 0 0 412.437 4.135 20 30 HIEDRN CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432849346 859387985 /nfs/dbraw/zinc/38/79/85/859387985.db2.gz DJUBBWXUJKALPM-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432859226 859392825 /nfs/dbraw/zinc/39/28/25/859392825.db2.gz MRWHEWGVPQGJRX-LBPRGKRZSA-N 0 0 419.300 4.449 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3COc3ccccc3)C2)nc1 ZINC000432916226 859428963 /nfs/dbraw/zinc/42/89/63/859428963.db2.gz GYPLKNIECSHDLN-NRFANRHFSA-N 0 0 414.465 4.217 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)NCCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000467614852 881420131 /nfs/dbraw/zinc/42/01/31/881420131.db2.gz LLYNBAQYHGATNS-UHFFFAOYSA-N 0 0 409.449 4.324 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](O)C23CCCC3)cc1 ZINC000432923601 859432341 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Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000433006416 859474174 /nfs/dbraw/zinc/47/41/74/859474174.db2.gz PRGMHZRGRNXGJG-OAHLLOKOSA-N 0 0 411.346 4.217 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(c2nccc(Oc3ccccc3)n2)CC1 ZINC000433029802 859489682 /nfs/dbraw/zinc/48/96/82/859489682.db2.gz CQOIQIAAAYUVDT-UHFFFAOYSA-N 0 0 408.465 4.015 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](c2ccccc2)C(F)F)c1C#N ZINC000433053703 859503299 /nfs/dbraw/zinc/50/32/99/859503299.db2.gz QFLGEWCGIKIXQY-FQEVSTJZSA-N 0 0 412.440 4.152 20 30 HIEDRN CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433131475 859533269 /nfs/dbraw/zinc/53/32/69/859533269.db2.gz DAYWDQIZAAEZEI-IBGZPJMESA-N 0 0 400.504 4.005 20 30 HIEDRN CC(C)c1nc(C2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)no1 ZINC000433141669 859538254 /nfs/dbraw/zinc/53/82/54/859538254.db2.gz PZDWXUCDTDEHPE-UHFFFAOYSA-N 0 0 415.497 4.399 20 30 HIEDRN C=CCNc1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)s1 ZINC000433177809 859556639 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C=CCN(Cc1cccs1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)OC ZINC000467650052 881445989 /nfs/dbraw/zinc/44/59/89/881445989.db2.gz JWFFVMGXIUGVIG-UHFFFAOYSA-N 0 0 420.556 4.047 20 30 HIEDRN C=CCc1cc(CNC(=O)N2CCC(c3ncc(C)s3)CC2)cc(OC)c1OC ZINC000433335921 859650845 /nfs/dbraw/zinc/65/08/45/859650845.db2.gz RVMAQXKDMJUKOX-UHFFFAOYSA-N 0 0 415.559 4.286 20 30 HIEDRN N#CCCn1cc(CNc2ccc(F)c(Br)c2)c(-c2ccncc2)n1 ZINC000433340962 859654039 /nfs/dbraw/zinc/65/40/39/859654039.db2.gz GNTLJXXBSCLGBJ-UHFFFAOYSA-N 0 0 400.255 4.372 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000433359559 859660442 /nfs/dbraw/zinc/66/04/42/859660442.db2.gz BDQQNFSVFMRGPP-UHFFFAOYSA-N 0 0 412.408 4.227 20 30 HIEDRN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000433379394 859665999 /nfs/dbraw/zinc/66/59/99/859665999.db2.gz UHLOVDHNQYFLMM-UHFFFAOYSA-N 0 0 413.474 4.247 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC(=O)c3cccn32)cc1 ZINC000433391442 859671679 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HIEDRN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000433600750 859804051 /nfs/dbraw/zinc/80/40/51/859804051.db2.gz UATYLAQLFIKABZ-OAQYLSRUSA-N 0 0 409.440 4.883 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CC3(CCC3)C[C@@H]2C)cc1 ZINC000433655079 859826018 /nfs/dbraw/zinc/82/60/18/859826018.db2.gz VAKNYNQHBKCFET-INIZCTEOSA-N 0 0 419.481 4.089 20 30 HIEDRN CCCc1c(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cnn1-c1ccc(C)cc1 ZINC000433658679 859827643 /nfs/dbraw/zinc/82/76/43/859827643.db2.gz HCSULZLGUMDQOI-UHFFFAOYSA-N 0 0 421.888 4.236 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](Nc3ccc(Cl)cc3OCC(F)(F)F)C2=O)cc1 ZINC000433690120 859838455 /nfs/dbraw/zinc/83/84/55/859838455.db2.gz MABPPIUWAWGTKG-INIZCTEOSA-N 0 0 409.795 4.370 20 30 HIEDRN CCNC(=O)Nc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000433746438 859872063 /nfs/dbraw/zinc/87/20/63/859872063.db2.gz FUPGQUJBPXTTRL-UHFFFAOYSA-N 0 0 421.501 4.083 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1 ZINC000433770458 859885804 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O=C(N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000434045491 860059936 /nfs/dbraw/zinc/05/99/36/860059936.db2.gz GPPJPGJIFSTTSP-QMTHXVAHSA-N 0 0 413.333 4.038 20 30 HIEDRN O=C(NCCOCC(F)(F)C(F)F)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000434044875 860060544 /nfs/dbraw/zinc/06/05/44/860060544.db2.gz AKMSPCOIARWSLA-UHFFFAOYSA-N 0 0 414.277 4.007 20 30 HIEDRN C=CC[C@H](C)NC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000434138431 860136899 /nfs/dbraw/zinc/13/68/99/860136899.db2.gz XKZKCZJADZHGBA-HNNXBMFYSA-N 0 0 413.543 4.282 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCCOCC(F)(F)C(F)F)cc1 ZINC000434159384 860154144 /nfs/dbraw/zinc/15/41/44/860154144.db2.gz YGUGEYMOQDMWTH-UHFFFAOYSA-N 0 0 411.355 4.389 20 30 HIEDRN O=C(NCCOCC(F)(F)C(F)F)Nc1cc(F)ccc1SCC(F)F ZINC000434160107 860155228 /nfs/dbraw/zinc/15/52/28/860155228.db2.gz PVNYTYROMHFBEQ-UHFFFAOYSA-N 0 0 408.339 4.221 20 30 HIEDRN COc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c(I)c1 ZINC000434163670 860157262 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860340970 /nfs/dbraw/zinc/34/09/70/860340970.db2.gz ISOQJRURZUOUTP-MRXNPFEDSA-N 0 0 412.449 4.143 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000434428440 860346441 /nfs/dbraw/zinc/34/64/41/860346441.db2.gz BMJXLAYUXUNEDB-QUCCMNQESA-N 0 0 417.431 4.070 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC(C)(C)CC(C)(C)C ZINC000434445760 860356073 /nfs/dbraw/zinc/35/60/73/860356073.db2.gz LMLMHALOZUWEOX-UHFFFAOYSA-N 0 0 408.502 4.324 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)c1C#N ZINC000434565050 860404367 /nfs/dbraw/zinc/40/43/67/860404367.db2.gz KHHAOPWTAUNOHG-SFHVURJKSA-N 0 0 413.477 4.262 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)NC3CCC4(CC4)CC3)cc2F)c1 ZINC000434597829 860419735 /nfs/dbraw/zinc/41/97/35/860419735.db2.gz NRVPDTOLMVYTQS-UHFFFAOYSA-N 0 0 421.472 4.054 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CC2)c(Cl)c1 ZINC000434597417 860419790 /nfs/dbraw/zinc/41/97/90/860419790.db2.gz MSWDTCSUHKYAJQ-UHFFFAOYSA-N 0 0 408.672 4.262 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000434615821 860431327 /nfs/dbraw/zinc/43/13/27/860431327.db2.gz NDPUMYUEBOUEFS-UHFFFAOYSA-N 0 0 405.281 4.302 20 30 HIEDRN COCCNc1nnc(SCCC(C#N)(c2ccccc2)c2ccccc2)s1 ZINC000434644129 860443360 /nfs/dbraw/zinc/44/33/60/860443360.db2.gz UCPLXAZCABLDEP-UHFFFAOYSA-N 0 0 410.568 4.588 20 30 HIEDRN N#CCCN(C(=O)CN[C@@H](c1cc(F)ccc1F)C(F)F)c1cccc(Cl)c1 ZINC000434671266 860454058 /nfs/dbraw/zinc/45/40/58/860454058.db2.gz UBOJHBQGSFFWBW-SFHVURJKSA-N 0 0 413.802 4.461 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2cc(F)ccc2F)C(F)F)c1C ZINC000434678893 860456316 /nfs/dbraw/zinc/45/63/16/860456316.db2.gz LPLUZHYUIOYBJS-HXUWFJFHSA-N 0 0 407.411 4.424 20 30 HIEDRN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(OCc2ccccc2)c1 ZINC000434767717 860488116 /nfs/dbraw/zinc/48/81/16/860488116.db2.gz WWZNYLLOZIZLQV-KRWDZBQOSA-N 0 0 424.497 4.457 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Sc2nnc(-c3cccc(Cl)c3)o2)C1=O ZINC000434791905 860495767 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C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC2(CCC2)c2ccccc21 ZINC000460556694 873274949 /nfs/dbraw/zinc/27/49/49/873274949.db2.gz HKJDKDMQFCDOJC-UHFFFAOYSA-N 0 0 419.554 4.419 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC000460558559 873280695 /nfs/dbraw/zinc/28/06/95/873280695.db2.gz ZQBJTNXMIWRLDR-UHFFFAOYSA-N 0 0 421.570 4.244 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000460560802 873286623 /nfs/dbraw/zinc/28/66/23/873286623.db2.gz DCGJOOUFUQUTFR-LEWJYISDSA-N 0 0 404.518 4.059 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000460560982 873287780 /nfs/dbraw/zinc/28/77/80/873287780.db2.gz DMIFMNFUJOVEKO-ZWOKBUDYSA-N 0 0 402.514 4.305 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000460562107 873291285 /nfs/dbraw/zinc/29/12/85/873291285.db2.gz RMSFFNRCVLIYIP-OAHLLOKOSA-N 0 0 413.909 4.228 20 30 HIEDRN C=C(C)Cn1c(N2CCCC[C@H](COC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460563805 873292578 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ZINC000460781176 873635797 /nfs/dbraw/zinc/63/57/97/873635797.db2.gz SODMBIAZVPEJSV-UHFFFAOYSA-N 0 0 424.499 4.220 20 30 HIEDRN C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H](C)c1sc(C)nc1C ZINC000460782218 873638282 /nfs/dbraw/zinc/63/82/82/873638282.db2.gz AHNAOPHHZALZAL-CQSZACIVSA-N 0 0 404.584 4.043 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](c2nncn2CC)C1 ZINC000460782874 873638706 /nfs/dbraw/zinc/63/87/06/873638706.db2.gz NYWMCSXYNQEQAK-KRWDZBQOSA-N 0 0 411.941 4.170 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000460781491 873638726 /nfs/dbraw/zinc/63/87/26/873638726.db2.gz GIQPYXGXJDYLIM-JOCHJYFZSA-N 0 0 420.513 4.025 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)Nc1ccccc1CC ZINC000460786122 873644270 /nfs/dbraw/zinc/64/42/70/873644270.db2.gz XAFDBHKBRDZGMS-UHFFFAOYSA-N 0 0 409.559 4.144 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000460787777 873646689 /nfs/dbraw/zinc/64/66/89/873646689.db2.gz SIDPAGANQMSTSV-LJQANCHMSA-N 0 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C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000460790553 873654904 /nfs/dbraw/zinc/65/49/04/873654904.db2.gz MLPDPUCLGPWMEV-KRWDZBQOSA-N 0 0 403.490 4.201 20 30 HIEDRN CCOCCCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CC#N ZINC000460796577 873665745 /nfs/dbraw/zinc/66/57/45/873665745.db2.gz GZQSAUOTKQUHLS-INIZCTEOSA-N 0 0 401.580 4.440 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H]1[C@H](C)CCC ZINC000460800276 873671450 /nfs/dbraw/zinc/67/14/50/873671450.db2.gz CYXOQTQUDSJLNV-YLJYHZDGSA-N 0 0 420.561 4.173 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCC(CO)CC1 ZINC000460802640 873674555 /nfs/dbraw/zinc/67/45/55/873674555.db2.gz HMCOUTXWHWTRPO-QGZVFWFLSA-N 0 0 418.969 4.473 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000460802167 873674726 /nfs/dbraw/zinc/67/47/26/873674726.db2.gz DZXVTZWQBOMOQW-CTNGQTDRSA-N 0 0 410.468 4.036 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N(CC)Cc1cnn(C)c1 ZINC000460802780 873674997 /nfs/dbraw/zinc/67/49/97/873674997.db2.gz CTPDGLPYPQRRBH-UHFFFAOYSA-N 0 0 400.530 4.358 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCc2ccccc2C1 ZINC000460802240 873675069 /nfs/dbraw/zinc/67/50/69/873675069.db2.gz JNDMZTBDHGZEHQ-UHFFFAOYSA-N 0 0 404.514 4.395 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H](C)C1CCC1 ZINC000460806607 873682487 /nfs/dbraw/zinc/68/24/87/873682487.db2.gz PJVHTFZVHDQNJA-OAHLLOKOSA-N 0 0 400.523 4.172 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC000460807013 873682826 /nfs/dbraw/zinc/68/28/26/873682826.db2.gz QYWZBYYMICASMI-UHFFFAOYSA-N 0 0 417.513 4.208 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000460809525 873686994 /nfs/dbraw/zinc/68/69/94/873686994.db2.gz AIAUIKQIGWAPCL-CRAIPNDOSA-N 0 0 421.467 4.411 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC2(CCOCC2)CC1 ZINC000460808818 873687213 /nfs/dbraw/zinc/68/72/13/873687213.db2.gz ZIHDNGNYDOSSAW-OALUTQOASA-N 0 0 402.583 4.170 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCC[C@@H](COC)C1 ZINC000460811537 873690888 /nfs/dbraw/zinc/69/08/88/873690888.db2.gz HLYNBCBHTRWXQI-GOSISDBHSA-N 0 0 414.550 4.181 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H]1CCSC1 ZINC000460816638 873698278 /nfs/dbraw/zinc/69/82/78/873698278.db2.gz RTQFNRKYQISUKY-HNNXBMFYSA-N 0 0 423.380 4.137 20 30 HIEDRN C=CCc1cc(-c2nc(-c3ccc(Br)cn3)no2)cc(OC)c1OC ZINC000460842998 873733751 /nfs/dbraw/zinc/73/37/51/873733751.db2.gz PWLGURDXSSIKMZ-UHFFFAOYSA-N 0 0 402.248 4.307 20 30 HIEDRN CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460843386 873733847 /nfs/dbraw/zinc/73/38/47/873733847.db2.gz VUUXTDQKNDNOSE-OBMPSLJJSA-N 0 0 424.467 4.406 20 30 HIEDRN N#CCCn1ncc(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c1-c1ccccc1 ZINC000460872582 873781479 /nfs/dbraw/zinc/78/14/79/873781479.db2.gz BCNVBUSUTQKFPC-IRLDBZIGSA-N 0 0 400.482 4.114 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000460885302 873798897 /nfs/dbraw/zinc/79/88/97/873798897.db2.gz UUBBNGBAQGIFLQ-FYYLOGMGSA-N 0 0 418.459 4.358 20 30 HIEDRN COCCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCSC1 ZINC000468631480 882761884 /nfs/dbraw/zinc/76/18/84/882761884.db2.gz SBXNWVIFHPGUAD-OAQYLSRUSA-N 0 0 410.539 4.121 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCO2)c1 ZINC000460923487 873827934 /nfs/dbraw/zinc/82/79/34/873827934.db2.gz DFSQLNXLRYOBGZ-OALUTQOASA-N 0 0 411.550 4.206 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000460935535 873836675 /nfs/dbraw/zinc/83/66/75/873836675.db2.gz KBDJWSWOCCBPCR-KRWDZBQOSA-N 0 0 423.952 4.096 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)c1ccc(C)cc1 ZINC000460942289 873841896 /nfs/dbraw/zinc/84/18/96/873841896.db2.gz YIOPXFKKLSOTCF-UHFFFAOYSA-N 0 0 403.534 4.105 20 30 HIEDRN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCN(c2ccccc2)CC1 ZINC000460943487 873842907 /nfs/dbraw/zinc/84/29/07/873842907.db2.gz LZGAFLNPUJFZFY-HSZRJFAPSA-N 0 0 415.541 4.247 20 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ZINC000460947829 873845771 /nfs/dbraw/zinc/84/57/71/873845771.db2.gz HGPUNTBBDGQBNU-UTKZUKDTSA-N 0 0 422.554 4.122 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H](C)c1cnn(C)c1 ZINC000460948365 873846878 /nfs/dbraw/zinc/84/68/78/873846878.db2.gz JZZQKIKCRBBWLC-INIZCTEOSA-N 0 0 412.563 4.086 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000460950775 873849584 /nfs/dbraw/zinc/84/95/84/873849584.db2.gz SLBKPQHEOYWFKO-VWLOTQADSA-N 0 0 420.532 4.115 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@H](C)CCSCC ZINC000460952248 873850961 /nfs/dbraw/zinc/85/09/61/873850961.db2.gz OKMAVVIWWLUYPN-OAHLLOKOSA-N 0 0 412.563 4.138 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000460956896 873854166 /nfs/dbraw/zinc/85/41/66/873854166.db2.gz JHDPEIWPXHPZRS-MRXNPFEDSA-N 0 0 402.926 4.092 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2cc(-c3ccccc3)oc2C1 ZINC000460956763 873854241 /nfs/dbraw/zinc/85/42/41/873854241.db2.gz CJHBDPTURVJRFF-SFHVURJKSA-N 0 0 422.529 4.401 20 30 HIEDRN C=C(C)Cn1c(CCC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000460956722 873854349 /nfs/dbraw/zinc/85/43/49/873854349.db2.gz INIUUCCHAZWHNN-UHFFFAOYSA-N 0 0 401.599 4.062 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000460959393 873856283 /nfs/dbraw/zinc/85/62/83/873856283.db2.gz NNVLBLKGLUNLRN-YOEHRIQHSA-N 0 0 410.440 4.158 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1ccc(Cl)cc1Br ZINC000460958667 873856570 /nfs/dbraw/zinc/85/65/70/873856570.db2.gz HYOKMRKFIOAEIT-UHFFFAOYSA-N 0 0 416.500 4.255 20 30 HIEDRN C[C@H](Sc1cccc(C#N)c1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000468635308 882766682 /nfs/dbraw/zinc/76/66/82/882766682.db2.gz NZWPRGQDNGLBFN-NSHDSACASA-N 0 0 405.401 4.043 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC000460960702 873857520 /nfs/dbraw/zinc/85/75/20/873857520.db2.gz SGZRWGLBULURGB-QZTJIDSGSA-N 0 0 414.575 4.303 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccc(C)s1)C(C)C ZINC000460962096 873859324 /nfs/dbraw/zinc/85/93/24/873859324.db2.gz XVYJPLLYYCDATM-UHFFFAOYSA-N 0 0 410.547 4.286 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000460962671 873859533 /nfs/dbraw/zinc/85/95/33/873859533.db2.gz LJZSXTWOZNSQJD-QFBILLFUSA-N 0 0 423.492 4.104 20 30 HIEDRN C=CCC[C@@H](NC(=O)NCc1c(C)nn(C)c1OC)c1ccc(C(F)(F)F)cc1 ZINC000460981173 873871998 /nfs/dbraw/zinc/87/19/98/873871998.db2.gz GQHBQDLHAZHLCI-QGZVFWFLSA-N 0 0 410.440 4.263 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)Cc1ccc(CC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000461021988 873889608 /nfs/dbraw/zinc/88/96/08/873889608.db2.gz KJJYVEXSXLEPLI-UHFFFAOYSA-N 0 0 422.488 4.409 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CCC[C@]12CCCCO2 ZINC000468636480 882770551 /nfs/dbraw/zinc/77/05/51/882770551.db2.gz BQDFRUJDHALYDD-SIKLNZKXSA-N 0 0 413.424 4.220 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCO1 ZINC000461043319 873904385 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C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000461078223 873982355 /nfs/dbraw/zinc/98/23/55/873982355.db2.gz ZXLZJCYCJPQMIK-GOSISDBHSA-N 0 0 412.534 4.441 20 30 HIEDRN Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c2)cn1 ZINC000468645909 882781930 /nfs/dbraw/zinc/78/19/30/882781930.db2.gz UMDQDVRBHPIQKB-UPVQGACJSA-N 0 0 405.498 4.037 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCSc2ccccc2Br)CCC[C@]12CCCCO2 ZINC000468647760 882784916 /nfs/dbraw/zinc/78/49/16/882784916.db2.gz LJDRAUKHYOOQAQ-PKOBYXMFSA-N 0 0 423.376 4.385 20 30 HIEDRN Cc1ccc(-n2nc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)c3c2CCCC3)cc1 ZINC000468650509 882786383 /nfs/dbraw/zinc/78/63/83/882786383.db2.gz YKYZMURKPYVBOA-RCZVLFRGSA-N 0 0 418.541 4.127 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cccc3nc(-c4cccs4)[nH]c32)CCC[C@]12CCCCO2 ZINC000468650742 882786511 /nfs/dbraw/zinc/78/65/11/882786511.db2.gz IFGDMMQPTFEBQQ-PGRDOPGGSA-N 0 0 406.511 4.359 20 30 HIEDRN CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 ZINC000461120382 874045831 /nfs/dbraw/zinc/04/58/31/874045831.db2.gz BLOGGDVTHOVBIX-SLFFLAALSA-N 0 0 411.575 4.106 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCCO1 ZINC000461121529 874048902 /nfs/dbraw/zinc/04/89/02/874048902.db2.gz ABLOKGCTRKTKOD-QFIPXVFZSA-N 0 0 405.546 4.254 20 30 HIEDRN CC(C)(COCC(F)F)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000468656131 882790941 /nfs/dbraw/zinc/79/09/41/882790941.db2.gz RWFYQQRDWLJCLO-UHFFFAOYSA-N 0 0 401.413 4.057 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCO1 ZINC000461136273 874075606 /nfs/dbraw/zinc/07/56/06/874075606.db2.gz VCTOSPIUGULEQT-IBGZPJMESA-N 0 0 424.570 4.311 20 30 HIEDRN CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461144879 874089179 /nfs/dbraw/zinc/08/91/79/874089179.db2.gz OCISDMRPOABFDP-LJQANCHMSA-N 0 0 407.543 4.126 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H]1CCCO1 ZINC000461146368 874090497 /nfs/dbraw/zinc/09/04/97/874090497.db2.gz CEQKYZKGKNSQTE-FXAWDEMLSA-N 0 0 411.550 4.072 20 30 HIEDRN COc1ccc([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)cc1 ZINC000461157547 874114237 /nfs/dbraw/zinc/11/42/37/874114237.db2.gz JAGANVSIFRVYOK-HTAPYJJXSA-N 0 0 417.513 4.202 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)c2)cc1 ZINC000468657897 882794628 /nfs/dbraw/zinc/79/46/28/882794628.db2.gz DUNRQZDMOISECE-UKILVPOCSA-N 0 0 415.493 4.205 20 30 HIEDRN CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)Cc2ccccc21 ZINC000461164979 874129214 /nfs/dbraw/zinc/12/92/14/874129214.db2.gz XQUIIWBLNPDKIC-OAQYLSRUSA-N 0 0 413.525 4.294 20 30 HIEDRN Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1C ZINC000468668417 882801112 /nfs/dbraw/zinc/80/11/12/882801112.db2.gz OGCQVFVZLQDZJR-NFBKMPQASA-N 0 0 424.570 4.035 20 30 HIEDRN CO[C@H]1CCOc2c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cccc21 ZINC000468670868 882802199 /nfs/dbraw/zinc/80/21/99/882802199.db2.gz FLUNOVIVAQBDFU-FQEVSTJZSA-N 0 0 404.422 4.453 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)c3cc4c(cc(Cl)cc4Cl)[nH]3)CC2)c1C#N ZINC000461198204 874197367 /nfs/dbraw/zinc/19/73/67/874197367.db2.gz WFBDQRXWBRMZDE-UHFFFAOYSA-N 0 0 420.325 4.074 20 30 HIEDRN C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000461212051 874214492 /nfs/dbraw/zinc/21/44/92/874214492.db2.gz OHLIUULWNJXTLY-OFNKIYASSA-N 0 0 403.526 4.366 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461235067 874232998 /nfs/dbraw/zinc/23/29/98/874232998.db2.gz SJKSSWXSYUUAJD-LJQANCHMSA-N 0 0 422.407 4.091 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4[nH]c5ccccc5c4C3)n2C[C@H]2CCCO2)c1 ZINC000461244079 874245070 /nfs/dbraw/zinc/24/50/70/874245070.db2.gz HMYBWRSDDAOLCT-LJQANCHMSA-N 0 0 424.508 4.040 20 30 HIEDRN CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461252543 874256729 /nfs/dbraw/zinc/25/67/29/874256729.db2.gz DVELYTZHLXUQSE-JOCHJYFZSA-N 0 0 417.513 4.031 20 30 HIEDRN CCN(Cc1ccccc1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461255277 874259951 /nfs/dbraw/zinc/25/99/51/874259951.db2.gz JETOPWWPHFNBJY-QFIPXVFZSA-N 0 0 401.514 4.331 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000461258151 874263719 /nfs/dbraw/zinc/26/37/19/874263719.db2.gz VQYDLBLPISGYMB-DHIUTWEWSA-N 0 0 413.525 4.207 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc3cc(Br)ccc3c2)cn1 ZINC000461278966 874286531 /nfs/dbraw/zinc/28/65/31/874286531.db2.gz RGBVDVCFPLLLCX-UHFFFAOYSA-N 0 0 418.254 4.307 20 30 HIEDRN CCN(Cc1ccccc1)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000461291144 874296157 /nfs/dbraw/zinc/29/61/57/874296157.db2.gz RALQUJDQSQDNSE-UHFFFAOYSA-N 0 0 422.492 4.418 20 30 HIEDRN Cn1cccc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1cccs1 ZINC000461304602 874312011 /nfs/dbraw/zinc/31/20/11/874312011.db2.gz YTUCIIYNSFFUHF-UHFFFAOYSA-N 0 0 414.538 4.434 20 30 HIEDRN COc1cc(Br)ccc1[C@@H](C)NC(=O)NCc1cc(C#N)ccc1F ZINC000468692111 882815371 /nfs/dbraw/zinc/81/53/71/882815371.db2.gz BERRGSBRCXQERO-LLVKDONJSA-N 0 0 406.255 4.029 20 30 HIEDRN C=CCN(CCOC)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1Cc1cccs1 ZINC000461321909 874332224 /nfs/dbraw/zinc/33/22/24/874332224.db2.gz BMCSHSJCJHPWAN-SFTDATJTSA-N 0 0 424.570 4.272 20 30 HIEDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000461330216 874340522 /nfs/dbraw/zinc/34/05/22/874340522.db2.gz HSGHZZLQHDKVIX-HRAATJIYSA-N 0 0 414.502 4.126 20 30 HIEDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000461355171 874356765 /nfs/dbraw/zinc/35/67/65/874356765.db2.gz UCSOHUGPHTWSBS-KMDXXIMOSA-N 0 0 421.541 4.068 20 30 HIEDRN CC[C@H]1CN(c2ccccc2)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000461362470 874364961 /nfs/dbraw/zinc/36/49/61/874364961.db2.gz KOEKPFMQGVORLA-PMACEKPBSA-N 0 0 422.598 4.478 20 30 HIEDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)no1 ZINC000461379969 874386401 /nfs/dbraw/zinc/38/64/01/874386401.db2.gz MHLMMEGVWCRTBL-MRXNPFEDSA-N 0 0 420.469 4.344 20 30 HIEDRN Cc1cc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@H]2CCOC2)c(C)o1 ZINC000461384222 874390057 /nfs/dbraw/zinc/39/00/57/874390057.db2.gz QAGAJMYKPKKRCS-HXUWFJFHSA-N 0 0 417.513 4.232 20 30 HIEDRN CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461393043 874400678 /nfs/dbraw/zinc/40/06/78/874400678.db2.gz XNQQSANCCDJODI-LJQANCHMSA-N 0 0 421.570 4.374 20 30 HIEDRN Cc1ccc(CC[C@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000461395568 874405919 /nfs/dbraw/zinc/40/59/19/874405919.db2.gz GITUQJVNUDJDTH-HNNXBMFYSA-N 0 0 421.457 4.025 20 30 HIEDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNc1cnn(-c2ncccc2C#N)c1 ZINC000461405916 874420741 /nfs/dbraw/zinc/42/07/41/874420741.db2.gz JZLGRUQGAVFIDW-UHFFFAOYSA-N 0 0 417.904 4.266 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1CCOc1c(Cl)cccc1Cl ZINC000461428432 874464897 /nfs/dbraw/zinc/46/48/97/874464897.db2.gz QQRUDMJZDNHAFL-UHFFFAOYSA-N 0 0 402.075 4.177 20 30 HIEDRN N#CCCn1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461428904 874466873 /nfs/dbraw/zinc/46/68/73/874466873.db2.gz SZFHVBXOBVGGJF-KBAYOESNSA-N 0 0 407.474 4.071 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000461430602 874473293 /nfs/dbraw/zinc/47/32/93/874473293.db2.gz LXJHCUXBSZWZTK-UHFFFAOYSA-N 0 0 404.651 4.148 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)n1 ZINC000468733905 882834174 /nfs/dbraw/zinc/83/41/74/882834174.db2.gz NCUTZLWOVODJRC-OAHLLOKOSA-N 0 0 424.888 4.468 20 30 HIEDRN COc1ccc(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c(OC)n1 ZINC000461474118 874529500 /nfs/dbraw/zinc/52/95/00/874529500.db2.gz ZXHLRVABQBKBJK-UHFFFAOYSA-N 0 0 419.506 4.193 20 30 HIEDRN C[C@@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000461475092 874530484 /nfs/dbraw/zinc/53/04/84/874530484.db2.gz VMNHLMRQJXLENA-AEFFLSMTSA-N 0 0 407.543 4.463 20 30 HIEDRN N#CCN1CCC[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000461474543 874530918 /nfs/dbraw/zinc/53/09/18/874530918.db2.gz PACPJQKNCCYKOW-INIZCTEOSA-N 0 0 401.432 4.338 20 30 HIEDRN COc1ncccc1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000461474678 874530968 /nfs/dbraw/zinc/53/09/68/874530968.db2.gz QMDMQJPSTFNQEA-UHFFFAOYSA-N 0 0 403.507 4.227 20 30 HIEDRN COC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 ZINC000461477162 874533534 /nfs/dbraw/zinc/53/35/34/874533534.db2.gz DLTYYKBIPAIULZ-UHFFFAOYSA-N 0 0 407.543 4.320 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1Cc1cccs1 ZINC000461481835 874540895 /nfs/dbraw/zinc/54/08/95/874540895.db2.gz ADFJIOQASUXYAH-SFHVURJKSA-N 0 0 410.543 4.093 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1Cc1cccs1 ZINC000461493207 874560478 /nfs/dbraw/zinc/56/04/78/874560478.db2.gz IXCSIPXGRDMLOZ-UHFFFAOYSA-N 0 0 408.506 4.120 20 30 HIEDRN COc1cccc([C@H](C)CCCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000468753733 882843828 /nfs/dbraw/zinc/84/38/28/882843828.db2.gz ABVCTRDQZZPPLW-OFNKIYASSA-N 0 0 405.542 4.206 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCOC1 ZINC000461525069 874609250 /nfs/dbraw/zinc/60/92/50/874609250.db2.gz RSFYZMDKANRFAP-IBGZPJMESA-N 0 0 424.570 4.456 20 30 HIEDRN C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)c2ccccc21 ZINC000461555896 874646473 /nfs/dbraw/zinc/64/64/73/874646473.db2.gz DQPPNGFNAHYICK-HKUYNNGSSA-N 0 0 415.497 4.020 20 30 HIEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000468762657 882848629 /nfs/dbraw/zinc/84/86/29/882848629.db2.gz AQZNASRRZZRKAA-UHFFFAOYSA-N 0 0 422.435 4.014 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000468767840 882850568 /nfs/dbraw/zinc/85/05/68/882850568.db2.gz APFACSNTPLMPAV-UHFFFAOYSA-N 0 0 403.461 4.446 20 30 HIEDRN Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2C[C@@H]2CCOC2)o1 ZINC000461582529 874691806 /nfs/dbraw/zinc/69/18/06/874691806.db2.gz DICWGCZXZDZXKH-IBGZPJMESA-N 0 0 415.497 4.048 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461596043 874719509 /nfs/dbraw/zinc/71/95/09/874719509.db2.gz IXJQKCILDOQXLQ-KYJSFNMBSA-N 0 0 419.451 4.020 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCOC2)cc1 ZINC000461598192 874725767 /nfs/dbraw/zinc/72/57/67/874725767.db2.gz MLOVVICKDYMDMA-LJQANCHMSA-N 0 0 407.562 4.409 20 30 HIEDRN C[C@H]1CN(c2ccccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H](C)O1 ZINC000468779510 882856429 /nfs/dbraw/zinc/85/64/29/882856429.db2.gz BDUBDGWSXIUGSJ-HOTGVXAUSA-N 0 0 402.454 4.079 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2C[C@@H]2CCOC2)cc1 ZINC000461603026 874736943 /nfs/dbraw/zinc/73/69/43/874736943.db2.gz UZPVJUKRSVIKRV-PXNSSMCTSA-N 0 0 405.527 4.256 20 30 HIEDRN C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC1)C1CC1 ZINC000461604850 874740312 /nfs/dbraw/zinc/74/03/12/874740312.db2.gz QTKRQMAUOAWWSL-CVEARBPZSA-N 0 0 402.926 4.263 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)on2)c1 ZINC000468791170 882861093 /nfs/dbraw/zinc/86/10/93/882861093.db2.gz BMOMZGWGRJUOSU-KRWDZBQOSA-N 0 0 407.401 4.162 20 30 HIEDRN C=CCOc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)c1 ZINC000468800558 882865170 /nfs/dbraw/zinc/86/51/70/882865170.db2.gz BYAWBZONWIDFAF-INIZCTEOSA-N 0 0 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4.070 20 30 HIEDRN CCN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000464042834 877181842 /nfs/dbraw/zinc/18/18/42/877181842.db2.gz QLZMGVHVKIGVRA-UHFFFAOYSA-N 0 0 411.477 4.109 20 30 HIEDRN Cc1ccc2nc(COc3ccc(C(=O)NCc4cc(C#N)ccc4F)cc3)cn2c1 ZINC000464055821 877199696 /nfs/dbraw/zinc/19/96/96/877199696.db2.gz YKYLRPAZHNJEMK-UHFFFAOYSA-N 0 0 414.440 4.163 20 30 HIEDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1cc(C#N)ccc1F ZINC000464056466 877200614 /nfs/dbraw/zinc/20/06/14/877200614.db2.gz ZUQSMIYQOCOTNL-JTQLQIEISA-N 0 0 411.658 4.197 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1cc(C#N)ccc1F ZINC000464056467 877201586 /nfs/dbraw/zinc/20/15/86/877201586.db2.gz ZUQSMIYQOCOTNL-SNVBAGLBSA-N 0 0 411.658 4.197 20 30 HIEDRN COc1ccc(CN(C(=O)[C@H](C)c2cccc(C#N)c2)c2nccs2)c(OC)c1 ZINC000464099953 877256791 /nfs/dbraw/zinc/25/67/91/877256791.db2.gz ZAPDTKXUYFMKTQ-OAHLLOKOSA-N 0 0 407.495 4.369 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)cc2)cc1 ZINC000469043374 883114367 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HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000464204676 877375744 /nfs/dbraw/zinc/37/57/44/877375744.db2.gz IPUCGFULOHICAH-IBSYWUHOSA-N 0 0 402.541 4.275 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000464210467 877380281 /nfs/dbraw/zinc/38/02/81/877380281.db2.gz XQQRELFCTLLJGF-UHFFFAOYSA-N 0 0 424.444 4.154 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000464223800 877397513 /nfs/dbraw/zinc/39/75/13/877397513.db2.gz NZQCIQMKOGIEKY-UHFFFAOYSA-N 0 0 410.470 4.097 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000464229311 877404414 /nfs/dbraw/zinc/40/44/14/877404414.db2.gz QPZDEZOLRFLGQD-OAHLLOKOSA-N 0 0 406.486 4.481 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000464238003 877414393 /nfs/dbraw/zinc/41/43/93/877414393.db2.gz WFUDPHXBUNLOQF-UHFFFAOYSA-N 0 0 417.509 4.211 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000464262670 877443123 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COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc3[nH]c(=O)oc32)cc1 ZINC000503268762 912251404 /nfs/dbraw/zinc/25/14/04/912251404.db2.gz KRDVZHOUWIDPQB-UHFFFAOYSA-N 0 0 401.378 4.458 20 30 HIEDRN CCc1ccc([C@H](NC(=O)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000464379056 877580842 /nfs/dbraw/zinc/58/08/42/877580842.db2.gz RWHROZAELFKJJP-QHCPKHFHSA-N 0 0 418.518 4.044 20 30 HIEDRN COc1ccc2c(c1)N(C(=O)c1ccc(OCc3ccccc3C#N)cc1)CCO2 ZINC000464382236 877582557 /nfs/dbraw/zinc/58/25/57/877582557.db2.gz HGSYGGLKUBJROY-UHFFFAOYSA-N 0 0 400.434 4.185 20 30 HIEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)c2c(Cl)cccc2I)C1 ZINC000464394906 877595061 /nfs/dbraw/zinc/59/50/61/877595061.db2.gz CEZNPHWBYRVHTM-BMIGLBTASA-N 0 0 402.663 4.147 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)c2cscc2-c2ccccc2)cc(OC)c1OC ZINC000464395663 877596602 /nfs/dbraw/zinc/59/66/02/877596602.db2.gz CAONFEUCKUVZPG-GOSISDBHSA-N 0 0 408.479 4.436 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)CCCc2ccccc2Cl)cc(OC)c1OC ZINC000464396131 877597364 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C=CCNC(=O)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 ZINC000503284544 912266650 /nfs/dbraw/zinc/26/66/50/912266650.db2.gz QDSYENWMSAWJJM-UHFFFAOYSA-N 0 0 414.303 4.176 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000464525994 877743067 /nfs/dbraw/zinc/74/30/67/877743067.db2.gz OJJRUJDPYDVZHS-NIJXNBFTSA-N 0 0 421.500 4.112 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cc(Br)cc3cccnc32)CCC[C@@]12CCCCO2 ZINC000464529812 877747280 /nfs/dbraw/zinc/74/72/80/877747280.db2.gz VXBONDDGTVXRLY-XLIONFOSSA-N 0 0 414.303 4.065 20 30 HIEDRN CC#CCCCC(=O)N(Cc1ccc(F)cc1)c1nc(C)c(C(=O)OCC)s1 ZINC000464533409 877749009 /nfs/dbraw/zinc/74/90/09/877749009.db2.gz GIPXCRSOVBNXCG-UHFFFAOYSA-N 0 0 402.491 4.494 20 30 HIEDRN CC#CCCCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC000464560261 877779329 /nfs/dbraw/zinc/77/93/29/877779329.db2.gz MKKNRACACHZGRI-UHFFFAOYSA-N 0 0 410.539 4.328 20 30 HIEDRN CCC1(CC)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000464581034 877804582 /nfs/dbraw/zinc/80/45/82/877804582.db2.gz DMCVNAHFXJNWDM-UHFFFAOYSA-N 0 0 414.575 4.164 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000464645911 877864573 /nfs/dbraw/zinc/86/45/73/877864573.db2.gz WFLWGUPVVIGYOF-OAQYLSRUSA-N 0 0 407.477 4.494 20 30 HIEDRN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)o2)c(C)c1 ZINC000464646557 877865990 /nfs/dbraw/zinc/86/59/90/877865990.db2.gz XFMLIGKWQUCABR-UHFFFAOYSA-N 0 0 413.437 4.180 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2cccc(-c3c(F)cccc3F)c2)n1 ZINC000464648233 877868737 /nfs/dbraw/zinc/86/87/37/877868737.db2.gz MUDMSCRENIJXJU-UHFFFAOYSA-N 0 0 401.376 4.336 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2csc(-c3ccccc3Cl)n2)n1 ZINC000464649941 877869947 /nfs/dbraw/zinc/86/99/47/877869947.db2.gz LMTQJGFAVNMJTP-UHFFFAOYSA-N 0 0 406.858 4.168 20 30 HIEDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000464668681 877888573 /nfs/dbraw/zinc/88/85/73/877888573.db2.gz YJKBMKPBIBWTEV-UHFFFAOYSA-N 0 0 404.382 4.305 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000464669045 877889610 /nfs/dbraw/zinc/88/96/10/877889610.db2.gz NMPLUIZFNIXJJE-AWEZNQCLSA-N 0 0 400.862 4.193 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000464703387 877922622 /nfs/dbraw/zinc/92/26/22/877922622.db2.gz KWZZHUZCEWOUBP-OFVILXPXSA-N 0 0 422.525 4.318 20 30 HIEDRN CC(C)(C)[C@@H](C#N)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000464708564 877930742 /nfs/dbraw/zinc/93/07/42/877930742.db2.gz GGJHOYASFVUSGR-GOSISDBHSA-N 0 0 405.527 4.081 20 30 HIEDRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C#N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000464715169 877942208 /nfs/dbraw/zinc/94/22/08/877942208.db2.gz WDKQRLBDTCQVRC-GOSISDBHSA-N 0 0 411.483 4.216 20 30 HIEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000464716631 877943029 /nfs/dbraw/zinc/94/30/29/877943029.db2.gz VURVJBBNRQVBMB-QGZVFWFLSA-N 0 0 415.335 4.182 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000464733523 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C=C(C)COCCNC(=O)N(Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000474809204 889661787 /nfs/dbraw/zinc/66/17/87/889661787.db2.gz HRSYIXCIPVKXMX-JOCHJYFZSA-N 0 0 410.514 4.323 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NCCOc2ncc(Cl)cc2Cl)c1C#N ZINC000474880495 889737308 /nfs/dbraw/zinc/73/73/08/889737308.db2.gz TWGBTWSKVHJTPC-UHFFFAOYSA-N 0 0 423.325 4.063 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cc(C)c(Cl)cc3C)c(C#N)c2N)cc1 ZINC000474895376 889753794 /nfs/dbraw/zinc/75/37/94/889753794.db2.gz HLKXCFOYZQCWBC-UHFFFAOYSA-N 0 0 421.932 4.267 20 30 HIEDRN COCCOC1CCC(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000474898977 889758709 /nfs/dbraw/zinc/75/87/09/889758709.db2.gz IKIOTGYTDSAVOI-UHFFFAOYSA-N 0 0 408.498 4.298 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(N3CN=NC3=O)c2)cc1 ZINC000474905414 889766550 /nfs/dbraw/zinc/76/65/50/889766550.db2.gz HBSKBCHVSMSQOT-UHFFFAOYSA-N 0 0 413.462 4.248 20 30 HIEDRN COc1c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000474953200 889809778 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HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NCCc2cccc3cccnc32)CC1 ZINC000476464752 891377041 /nfs/dbraw/zinc/37/70/41/891377041.db2.gz UVIFUESZOSWYKF-UHFFFAOYSA-N 0 0 414.509 4.338 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000476521533 891435541 /nfs/dbraw/zinc/43/55/41/891435541.db2.gz VAMCFTICPKIGFQ-OFNKIYASSA-N 0 0 415.541 4.068 20 30 HIEDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000476569602 891489726 /nfs/dbraw/zinc/48/97/26/891489726.db2.gz HPNBZNBVCOVXGQ-QGZVFWFLSA-N 0 0 423.460 4.450 20 30 HIEDRN N#CCCN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000476577710 891500747 /nfs/dbraw/zinc/50/07/47/891500747.db2.gz OQEGRYCGRXTUOV-HXUWFJFHSA-N 0 0 417.340 4.468 20 30 HIEDRN N#CC[C@@H](CC(=O)N[C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000476631116 891567470 /nfs/dbraw/zinc/56/74/70/891567470.db2.gz ILCGIZRBTDXOQJ-HNAYVOBHSA-N 0 0 413.403 4.117 20 30 HIEDRN CC(C)CN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000476636471 891575216 /nfs/dbraw/zinc/57/52/16/891575216.db2.gz SPVDTKKVKOPLJE-GOSISDBHSA-N 0 0 403.935 4.331 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nnc1-c1ccncc1 ZINC000476644341 891583563 /nfs/dbraw/zinc/58/35/63/891583563.db2.gz UMSWBNDWBUTXIL-LLVKDONJSA-N 0 0 404.417 4.307 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nc2sccc2c1=O ZINC000476646408 891585442 /nfs/dbraw/zinc/58/54/42/891585442.db2.gz ZWDFOUJEGQHCNB-SECBINFHSA-N 0 0 410.442 4.425 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000476667180 891615230 /nfs/dbraw/zinc/61/52/30/891615230.db2.gz NPPIBVOTYKOOFI-LJQANCHMSA-N 0 0 422.422 4.193 20 30 HIEDRN COc1ccc(C(=O)CCCCCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000476716077 891679626 /nfs/dbraw/zinc/67/96/26/891679626.db2.gz LGGLTDDFKQVEMS-VWLOTQADSA-N 0 0 404.510 4.396 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1cccc(Br)c1 ZINC000476716672 891679803 /nfs/dbraw/zinc/67/98/03/891679803.db2.gz YMLRIONUMHLCDG-QGZVFWFLSA-N 0 0 416.275 4.055 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000476742183 891709355 /nfs/dbraw/zinc/70/93/55/891709355.db2.gz GMIIWYZKFYVMNK-UHFFFAOYSA-N 0 0 410.514 4.130 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000476742410 891709627 /nfs/dbraw/zinc/70/96/27/891709627.db2.gz FOTDQGITQAJWNE-QHCPKHFHSA-N 0 0 407.539 4.023 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000476787792 891768268 /nfs/dbraw/zinc/76/82/68/891768268.db2.gz AVXBNXNEJSIDBY-UHFFFAOYSA-N 0 0 414.571 4.462 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000476806534 891791926 /nfs/dbraw/zinc/79/19/26/891791926.db2.gz OJTVCIOQESBQEO-UHFFFAOYSA-N 0 0 400.544 4.154 20 30 HIEDRN CCO[C@H]1C[C@@](O)(CNC(=O)c2ccccc2Sc2ccccc2C#N)C1(C)C ZINC000476845510 891818962 /nfs/dbraw/zinc/81/89/62/891818962.db2.gz BOTRMZWQKSZIKQ-NZQKXSOJSA-N 0 0 410.539 4.005 20 30 HIEDRN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000476887026 891846182 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COC(=O)[C@@H](Cc1ccc(C)cc1)SCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000477037817 891962405 /nfs/dbraw/zinc/96/24/05/891962405.db2.gz QVGCIQAUHQPEAN-JOCHJYFZSA-N 0 0 424.566 4.376 20 30 HIEDRN COc1ccccc1Oc1ccc(N[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000477053673 891985376 /nfs/dbraw/zinc/98/53/76/891985376.db2.gz ACDCUTHFDBQDQZ-HXUWFJFHSA-N 0 0 413.433 4.103 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000477058438 891991112 /nfs/dbraw/zinc/99/11/12/891991112.db2.gz KUDBOXNFCNTNDW-UHFFFAOYSA-N 0 0 419.529 4.284 20 30 HIEDRN CC(C)(CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1=CCCCC1 ZINC000477092374 892025944 /nfs/dbraw/zinc/02/59/44/892025944.db2.gz UOLFQKQOVRZICH-UHFFFAOYSA-N 0 0 408.546 4.445 20 30 HIEDRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1cccc(C#N)c1 ZINC000477141106 892067520 /nfs/dbraw/zinc/06/75/20/892067520.db2.gz KPXUXEPVLJGKQI-UHFFFAOYSA-N 0 0 409.287 4.435 20 30 HIEDRN Cc1ccc2cccnc2c1S(=O)(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000477221822 892157959 /nfs/dbraw/zinc/15/79/59/892157959.db2.gz NUMLWIJUZZXBDF-UHFFFAOYSA-N 0 0 403.463 4.403 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000477236739 892180048 /nfs/dbraw/zinc/18/00/48/892180048.db2.gz IWGOWTQVOFTLFU-FQEVSTJZSA-N 0 0 403.400 4.045 20 30 HIEDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477255585 892209056 /nfs/dbraw/zinc/20/90/56/892209056.db2.gz OCWQGJWGZZCIGG-CYBMUJFWSA-N 0 0 408.401 4.262 20 30 HIEDRN Cc1oc(-c2ccsc2)nc1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477258177 892210842 /nfs/dbraw/zinc/21/08/42/892210842.db2.gz SHKFGHMGFPKROM-UHFFFAOYSA-N 0 0 404.413 4.441 20 30 HIEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000477259017 892212394 /nfs/dbraw/zinc/21/23/94/892212394.db2.gz TWGMGUKLQKLHOW-UHFFFAOYSA-N 0 0 416.443 4.149 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000477270587 892222494 /nfs/dbraw/zinc/22/24/94/892222494.db2.gz FFUKXMQJWDKLCB-MRXNPFEDSA-N 0 0 417.431 4.130 20 30 HIEDRN Cc1ccc(-n2cnnc2)c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000477281616 892236417 /nfs/dbraw/zinc/23/64/17/892236417.db2.gz MSYMDXGEQCMZOM-UHFFFAOYSA-N 0 0 409.449 4.279 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccncc2)cc1 ZINC000477287014 892244078 /nfs/dbraw/zinc/24/40/78/892244078.db2.gz MZSUIEAXHOKFMR-UHFFFAOYSA-N 0 0 410.395 4.461 20 30 HIEDRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)c2ccccc12 ZINC000477320879 892285714 /nfs/dbraw/zinc/28/57/14/892285714.db2.gz SJZJDYWRZWGKFJ-UHFFFAOYSA-N 0 0 423.494 4.258 20 30 HIEDRN N#Cc1ccccc1-c1ccc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000477411393 892364699 /nfs/dbraw/zinc/36/46/99/892364699.db2.gz CNBBXQBZEREWKK-UHFFFAOYSA-N 0 0 410.227 4.106 20 30 HIEDRN COCc1cc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)ccc1F ZINC000477420433 892372456 /nfs/dbraw/zinc/37/24/56/892372456.db2.gz UIOZCVKBJVERLU-UHFFFAOYSA-N 0 0 411.477 4.033 20 30 HIEDRN COc1cc(Cl)ccc1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000477447402 892398358 /nfs/dbraw/zinc/39/83/58/892398358.db2.gz MKPUQNAIGRPQRC-UHFFFAOYSA-N 0 0 413.905 4.410 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000477455256 892413784 /nfs/dbraw/zinc/41/37/84/892413784.db2.gz LJMDJRPEAXATJC-UHFFFAOYSA-N 0 0 420.435 4.059 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000477495615 892496951 /nfs/dbraw/zinc/49/69/51/892496951.db2.gz CLHHOHZBZZMCBJ-KRWDZBQOSA-N 0 0 403.269 4.101 20 30 HIEDRN C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000477506526 892516688 /nfs/dbraw/zinc/51/66/88/892516688.db2.gz CWJSOKMBHOTXAT-OAHLLOKOSA-N 0 0 403.914 4.393 20 30 HIEDRN N#CC1(CS(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)CCC1 ZINC000477515898 892530574 /nfs/dbraw/zinc/53/05/74/892530574.db2.gz OHBFBIHTADFPKK-UHFFFAOYSA-N 0 0 400.466 4.474 20 30 HIEDRN C[C@H](Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)C(=O)Nc1ccccc1C#N ZINC000477536877 892570921 /nfs/dbraw/zinc/57/09/21/892570921.db2.gz PQUPELSVKVVCDB-SFHVURJKSA-N 0 0 422.492 4.304 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCCCOc1cccc(C#N)c1 ZINC000477591845 892669279 /nfs/dbraw/zinc/66/92/79/892669279.db2.gz XGPSPUHCBXNRAO-UHFFFAOYSA-N 0 0 407.514 4.464 20 30 HIEDRN Cc1c(Br)scc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000477621044 892724557 /nfs/dbraw/zinc/72/45/57/892724557.db2.gz XWAPPOHTLDYISP-UHFFFAOYSA-N 0 0 420.332 4.206 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000477636113 892757143 /nfs/dbraw/zinc/75/71/43/892757143.db2.gz LXUGBEUJNFXLFN-SFHVURJKSA-N 0 0 424.831 4.008 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)nn1-c1cccc(F)c1 ZINC000477637172 892761614 /nfs/dbraw/zinc/76/16/14/892761614.db2.gz KFTWHLBFYZORFM-GOSISDBHSA-N 0 0 402.351 4.333 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1Br)c1ccc(F)c(F)c1 ZINC000477641351 892763303 /nfs/dbraw/zinc/76/33/03/892763303.db2.gz MIVCKKHDVGGFBY-QGZVFWFLSA-N 0 0 423.257 4.408 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000477645775 892771792 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HIEDRN N#Cc1cc(Cl)ccc1CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000479211756 894475964 /nfs/dbraw/zinc/47/59/64/894475964.db2.gz FRNYPENCPCIUTJ-UHFFFAOYSA-N 0 0 410.930 4.279 20 30 HIEDRN N#Cc1cc(NC(=O)N[C@@H]2CCCc3c(O)cccc32)ccc1OCC(F)(F)F ZINC000479233016 894493940 /nfs/dbraw/zinc/49/39/40/894493940.db2.gz AWUMSJHLRLJLOO-MRXNPFEDSA-N 0 0 405.376 4.404 20 30 HIEDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000479238853 894503046 /nfs/dbraw/zinc/50/30/46/894503046.db2.gz FVNBSKIJIBZRCT-OXQOHEQNSA-N 0 0 416.481 4.169 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cc1 ZINC000479262141 894530954 /nfs/dbraw/zinc/53/09/54/894530954.db2.gz XWGOAXARHOEPKJ-IBGZPJMESA-N 0 0 420.278 4.367 20 30 HIEDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000505204563 913882113 /nfs/dbraw/zinc/88/21/13/913882113.db2.gz OYPCIYJSZYIWLQ-OAQYLSRUSA-N 0 0 413.905 4.069 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)N(CCC#N)CC3CC3)cc2)c(C)c1Br ZINC000505207847 913884257 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Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N(C)c1cc(Cl)ccc1C#N)CC2 ZINC000479570262 894864726 /nfs/dbraw/zinc/86/47/26/894864726.db2.gz PCQXIVAYMHVWCS-LLVKDONJSA-N 0 0 408.811 4.097 20 30 HIEDRN CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)c1cc(Cl)ccc1C#N ZINC000479573068 894866051 /nfs/dbraw/zinc/86/60/51/894866051.db2.gz AINLBVHOLSNRFU-UHFFFAOYSA-N 0 0 415.678 4.436 20 30 HIEDRN CN(C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1cc(Cl)ccc1C#N ZINC000479574437 894866734 /nfs/dbraw/zinc/86/67/34/894866734.db2.gz OWBMMZHBHBNPDT-UHFFFAOYSA-N 0 0 411.870 4.269 20 30 HIEDRN CC(C)(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCOCC1 ZINC000479575235 894867625 /nfs/dbraw/zinc/86/76/25/894867625.db2.gz GAHNIAJMVHVJRM-UHFFFAOYSA-N 0 0 402.545 4.093 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCOc1cc(OC)cc(OC)c1 ZINC000479607853 894882095 /nfs/dbraw/zinc/88/20/95/894882095.db2.gz UBUFUDMSLJITPD-UHFFFAOYSA-N 0 0 410.923 4.195 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)c3csc4ccccc34)c(C#N)c2N)cc1 ZINC000479618787 894888762 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409.515 4.242 20 30 HIEDRN COCCOc1ccc(Br)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000480967268 896305887 /nfs/dbraw/zinc/30/58/87/896305887.db2.gz DISQNKRETVOKRZ-UHFFFAOYSA-N 0 0 422.279 4.015 20 30 HIEDRN CCOC1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCCC1 ZINC000480969782 896307388 /nfs/dbraw/zinc/30/73/88/896307388.db2.gz HTTOHSPXCIDLPG-UHFFFAOYSA-N 0 0 421.497 4.063 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1 ZINC000480971416 896309507 /nfs/dbraw/zinc/30/95/07/896309507.db2.gz NORHDIVFZRQUOH-LZJOCLMNSA-N 0 0 411.527 4.030 20 30 HIEDRN Cc1cc(C(=O)N2CCc3cc(Br)ccc3C2)nn1-c1cccc(C#N)c1 ZINC000480990234 896322786 /nfs/dbraw/zinc/32/27/86/896322786.db2.gz PRNMDQUDIBDZTA-UHFFFAOYSA-N 0 0 421.298 4.013 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000480994655 896327475 /nfs/dbraw/zinc/32/74/75/896327475.db2.gz UDVVABYVEFTECH-UHFFFAOYSA-N 0 0 412.964 4.209 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2csc3ccccc23)cc1 ZINC000480996406 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HIEDRN N#Cc1ccc(CS(=O)(=O)N(c2ccccc2)C2Cc3ccccc3C2)c(F)c1 ZINC000481078441 896396903 /nfs/dbraw/zinc/39/69/03/896396903.db2.gz XCNIOQQRLZRJSF-UHFFFAOYSA-N 0 0 406.482 4.201 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000481078262 896397067 /nfs/dbraw/zinc/39/70/67/896397067.db2.gz QVZAMMRAHBNWMX-KSSFIOAISA-N 0 0 415.515 4.109 20 30 HIEDRN CN(Cc1ccc(C#N)cc1Br)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000481104352 896426277 /nfs/dbraw/zinc/42/62/77/896426277.db2.gz JIUMJVSTLYKSQB-SFHVURJKSA-N 0 0 418.722 4.211 20 30 HIEDRN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000481111013 896433477 /nfs/dbraw/zinc/43/34/77/896433477.db2.gz RVODSIMKXAILPN-UHFFFAOYSA-N 0 0 405.429 4.305 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1Br)Cc1nc2ccccc2c(=O)[nH]1 ZINC000481111600 896435564 /nfs/dbraw/zinc/43/55/64/896435564.db2.gz GAZIKWNMNQADHX-UHFFFAOYSA-N 0 0 411.303 4.380 20 30 HIEDRN COc1ccc([C@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C(F)(F)F)cc1 ZINC000505402709 914067500 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COc1cc(C#N)cc(OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000486066593 901260684 /nfs/dbraw/zinc/26/06/84/901260684.db2.gz HHKZIPWGQLRJBD-XMMPIXPASA-N 0 0 404.441 4.333 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNc2cc(-c3ccnn3C)ccc2C)cc1 ZINC000486104666 901291611 /nfs/dbraw/zinc/29/16/11/901291611.db2.gz QQEUVMUYNUPJJW-UHFFFAOYSA-N 0 0 417.513 4.153 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000486125095 901312014 /nfs/dbraw/zinc/31/20/14/901312014.db2.gz ROAJAKKLWUPAAS-OAHLLOKOSA-N 0 0 421.129 4.388 20 30 HIEDRN CCOc1ccc(C#N)cc1NCC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000486150471 901338458 /nfs/dbraw/zinc/33/84/58/901338458.db2.gz ZAXIYFCMPCMWDA-XMMPIXPASA-N 0 0 423.513 4.044 20 30 HIEDRN CCOc1ccc(C#N)cc1NCC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000486150468 901338523 /nfs/dbraw/zinc/33/85/23/901338523.db2.gz ZAXIYFCMPCMWDA-DEOSSOPVSA-N 0 0 423.513 4.044 20 30 HIEDRN C=CCc1cc(C(=O)Nc2ccc(OC)c(Br)c2)cc(OC)c1OC ZINC000486177080 901362691 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Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N(CCC#N)CC(C)(C)C ZINC000486351846 901523126 /nfs/dbraw/zinc/52/31/26/901523126.db2.gz WAOTWCVGQYMICO-UHFFFAOYSA-N 0 0 403.324 4.345 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000486392045 901554400 /nfs/dbraw/zinc/55/44/00/901554400.db2.gz ZZGITVRSVCTUSL-NRFANRHFSA-N 0 0 414.525 4.095 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1ccc(OCC(=O)OC)c2ncccc12 ZINC000486423119 901581018 /nfs/dbraw/zinc/58/10/18/901581018.db2.gz ITDPFDSFTLFYPI-UHFFFAOYSA-N 0 0 408.479 4.317 20 30 HIEDRN CC(C)[C@@H]1C[C@@H](CC(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c2ccccc21 ZINC000486462665 901622054 /nfs/dbraw/zinc/62/20/54/901622054.db2.gz SCXWOMMJDUNHFY-DWNHWAOMSA-N 0 0 413.521 4.176 20 30 HIEDRN C=CCSc1ccccc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000486465570 901625796 /nfs/dbraw/zinc/62/57/96/901625796.db2.gz IQCPJPKTRRSRSS-UHFFFAOYSA-N 0 0 401.576 4.201 20 30 HIEDRN COc1cc(C2(C(=O)N3CCCN(c4ccccc4C#N)CC3)CCC2)ccc1C ZINC000486475664 901636417 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/nfs/dbraw/zinc/40/88/16/902408816.db2.gz PTQMTBOFGGNOIH-UHFFFAOYSA-N 0 0 409.486 4.179 20 30 HIEDRN Cn1c(CNC(=O)Nc2ccc(C#N)c(Br)c2)nc2cccc(Cl)c21 ZINC000487876267 902421242 /nfs/dbraw/zinc/42/12/42/902421242.db2.gz IQNTZIXYUSLMGB-UHFFFAOYSA-N 0 0 418.682 4.183 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1Br ZINC000487881025 902424797 /nfs/dbraw/zinc/42/47/97/902424797.db2.gz NGXBELKKYJETRE-UHFFFAOYSA-N 0 0 406.230 4.305 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1Br ZINC000487921972 902453488 /nfs/dbraw/zinc/45/34/88/902453488.db2.gz QPUVGBILKWAKCS-UHFFFAOYSA-N 0 0 422.286 4.097 20 30 HIEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CSc2nc3c([nH]2)CCC3)c1C#N ZINC000487934935 902463208 /nfs/dbraw/zinc/46/32/08/902463208.db2.gz YDYVJEJGOWPZQR-UHFFFAOYSA-N 0 0 423.517 4.107 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c2cnn(C(C)C)c2n1 ZINC000505966333 914627628 /nfs/dbraw/zinc/62/76/28/914627628.db2.gz PVGFYMWPGLGCGB-KRWDZBQOSA-N 0 0 401.392 4.334 20 30 HIEDRN COc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1OC ZINC000487956433 902484363 /nfs/dbraw/zinc/48/43/63/902484363.db2.gz MVMKSWGVIJXMMQ-GFCCVEGCSA-N 0 0 418.291 4.091 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(Br)cn1 ZINC000487989615 902512059 /nfs/dbraw/zinc/51/20/59/902512059.db2.gz DXLRPEOKIDFFLQ-VIFPVBQESA-N 0 0 424.096 4.361 20 30 HIEDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487996960 902519658 /nfs/dbraw/zinc/51/96/58/902519658.db2.gz VEJYTFFKCVCTDL-DIFFPNOSSA-N 0 0 406.255 4.358 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1Br ZINC000488004944 902525305 /nfs/dbraw/zinc/52/53/05/902525305.db2.gz IAFCTQJUWAAIMM-GOSISDBHSA-N 0 0 414.303 4.186 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1Br ZINC000488011890 902531628 /nfs/dbraw/zinc/53/16/28/902531628.db2.gz ZJTODAGXPWCIDD-CRAIPNDOSA-N 0 0 400.276 4.220 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 ZINC000488012640 902533261 /nfs/dbraw/zinc/53/32/61/902533261.db2.gz ZXGAPZZHKRVDIK-NRFANRHFSA-N 0 0 419.500 4.017 20 30 HIEDRN COC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 ZINC000488013352 902533604 /nfs/dbraw/zinc/53/36/04/902533604.db2.gz HTJLZCRXJVWYAK-UHFFFAOYSA-N 0 0 402.425 4.327 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000488021401 902541143 /nfs/dbraw/zinc/54/11/43/902541143.db2.gz DISJKZSJBGLHOM-UHFFFAOYSA-N 0 0 418.450 4.265 20 30 HIEDRN N#C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(Cl)c(Cl)c1 ZINC000505976868 914637838 /nfs/dbraw/zinc/63/78/38/914637838.db2.gz OMYDHCBTHXVSGL-ROUUACIJSA-N 0 0 418.280 4.106 20 30 HIEDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3F)cc2[N+](=O)[O-])C1 ZINC000505977366 914640469 /nfs/dbraw/zinc/64/04/69/914640469.db2.gz SJMKEWSOXPTIGK-CLCXKQKWSA-N 0 0 410.449 4.211 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2c1 ZINC000488092852 902598440 /nfs/dbraw/zinc/59/84/40/902598440.db2.gz SDFSFGOOZJJXOH-UHFFFAOYSA-N 0 0 405.889 4.318 20 30 HIEDRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000488122819 902620463 /nfs/dbraw/zinc/62/04/63/902620463.db2.gz ICQLAEHOZNDMNW-SSEXGKCCSA-N 0 0 418.518 4.147 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 ZINC000505980346 914643359 /nfs/dbraw/zinc/64/33/59/914643359.db2.gz AHLCIYNXDGTTIH-CYBMUJFWSA-N 0 0 403.282 4.036 20 30 HIEDRN C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000488162412 902657596 /nfs/dbraw/zinc/65/75/96/902657596.db2.gz WYRCUBCKKIYEOA-UGSOOPFHSA-N 0 0 408.445 4.120 20 30 HIEDRN C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000488198906 902682105 /nfs/dbraw/zinc/68/21/05/902682105.db2.gz JNPVXMMUUYCDEV-QMMMGPOBSA-N 0 0 408.264 4.449 20 30 HIEDRN COCCOCc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000505982935 914648699 /nfs/dbraw/zinc/64/86/99/914648699.db2.gz XFPYPCPIVLVJPQ-SFHVURJKSA-N 0 0 411.260 4.290 20 30 HIEDRN COc1cc(NC(=O)COc2c(C#N)cnc3ccc(C)cc32)c(OC)cc1Cl ZINC000488278966 902741609 /nfs/dbraw/zinc/74/16/09/902741609.db2.gz NZYBVHNEUQOPEZ-UHFFFAOYSA-N 0 0 411.845 4.103 20 30 HIEDRN Cc1ccc2ncc(C#N)c(OCC(=O)NCc3cccc(COC(C)C)c3)c2c1 ZINC000488289878 902751577 /nfs/dbraw/zinc/75/15/77/902751577.db2.gz GHXYMERYODTEJM-UHFFFAOYSA-N 0 0 403.482 4.035 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488293558 902755747 /nfs/dbraw/zinc/75/57/47/902755747.db2.gz JMJVIVVZIVPJIZ-RDGATRHJSA-N 0 0 423.516 4.263 20 30 HIEDRN C=CCn1c(SCc2cccc(F)c2C#N)nnc1[C@@H]1COc2ccccc2O1 ZINC000488295593 902757071 /nfs/dbraw/zinc/75/70/71/902757071.db2.gz MBBCZHYIDDWFRD-IBGZPJMESA-N 0 0 408.458 4.280 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000488345011 902779108 /nfs/dbraw/zinc/77/91/08/902779108.db2.gz CPGQFSLAOVWGKJ-AWEZNQCLSA-N 0 0 404.289 4.298 20 30 HIEDRN COC(=O)c1ccoc1CSc1ccccc1C(=O)N[C@H](C#N)c1ccccc1F ZINC000505990193 914658244 /nfs/dbraw/zinc/65/82/44/914658244.db2.gz FMHWBKPCBZJOJA-GOSISDBHSA-N 0 0 424.453 4.492 20 30 HIEDRN C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000488425733 902821444 /nfs/dbraw/zinc/82/14/44/902821444.db2.gz UQKSFILGGUTENO-ZDUSSCGKSA-N 0 0 403.404 4.408 20 30 HIEDRN CC1(C)CCc2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ncc2C1 ZINC000488444552 902828594 /nfs/dbraw/zinc/82/85/94/902828594.db2.gz PTQXQEYZHVDXTO-UHFFFAOYSA-N 0 0 400.486 4.021 20 30 HIEDRN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464535 902838893 /nfs/dbraw/zinc/83/88/93/902838893.db2.gz JUSSTPXSOQBNFG-UZLBHIALSA-N 0 0 402.523 4.133 20 30 HIEDRN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500077 902857071 /nfs/dbraw/zinc/85/70/71/902857071.db2.gz OWQSTAHUCNQAFW-HXPMCKFVSA-N 0 0 406.288 4.456 20 30 HIEDRN C[C@H](N1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1)C(F)(F)F ZINC000488509258 902863156 /nfs/dbraw/zinc/86/31/56/902863156.db2.gz VGERFPAECLPDGX-HNNXBMFYSA-N 0 0 419.472 4.418 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)Cc2ccc(F)c(F)c2)c1C#N ZINC000488523628 902869190 /nfs/dbraw/zinc/86/91/90/902869190.db2.gz QURCGDTXOAKIBQ-UHFFFAOYSA-N 0 0 422.479 4.374 20 30 HIEDRN CC(C)(C)Oc1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 ZINC000488579812 902890303 /nfs/dbraw/zinc/89/03/03/902890303.db2.gz JAJRNDMRVZSGHV-UHFFFAOYSA-N 0 0 405.420 4.129 20 30 HIEDRN Cc1cnc(C(C)(C)NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1 ZINC000505997008 914667480 /nfs/dbraw/zinc/66/74/80/914667480.db2.gz LOZSUMBJSUYBTM-UHFFFAOYSA-N 0 0 420.494 4.106 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000488614959 902900275 /nfs/dbraw/zinc/90/02/75/902900275.db2.gz SSVZYHCGOCUBPF-YADHBBJMSA-N 0 0 412.484 4.202 20 30 HIEDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000488653777 902922182 /nfs/dbraw/zinc/92/21/82/902922182.db2.gz BJYBKSMGFRTNEA-GUYCJALGSA-N 0 0 419.312 4.054 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1SCc1noc([C@H]2COc3ccccc3O2)n1 ZINC000488758225 902982195 /nfs/dbraw/zinc/98/21/95/902982195.db2.gz IZRDXVCVTHQVSB-CYBMUJFWSA-N 0 0 420.372 4.160 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1SCCCS(=O)(=O)c1ccc(F)cc1 ZINC000488762106 902983779 /nfs/dbraw/zinc/98/37/79/902983779.db2.gz OREFQERUYSJTFZ-UHFFFAOYSA-N 0 0 404.410 4.067 20 30 HIEDRN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000488768240 902985394 /nfs/dbraw/zinc/98/53/94/902985394.db2.gz QQROIZOCQYPAJN-UHFFFAOYSA-N 0 0 405.854 4.438 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1SCC(=O)Nc1nc(-c2ccco2)cs1 ZINC000488773087 902990005 /nfs/dbraw/zinc/99/00/05/902990005.db2.gz YDEIBYNTPCGXPQ-UHFFFAOYSA-N 0 0 410.402 4.419 20 30 HIEDRN CC(C)(C)n1ncc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1-c1ccccc1 ZINC000488788631 903001653 /nfs/dbraw/zinc/00/16/53/903001653.db2.gz XXCNKTUPODBCNU-QFIPXVFZSA-N 0 0 414.509 4.390 20 30 HIEDRN CC(C)OCc1cccc(CNC(=O)CSc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000488808071 903011445 /nfs/dbraw/zinc/01/14/45/903011445.db2.gz QPVVLZBTTDLDIS-UHFFFAOYSA-N 0 0 423.460 4.306 20 30 HIEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000488820011 903023485 /nfs/dbraw/zinc/02/34/85/903023485.db2.gz CAOOAFFSGSCEAG-MRXNPFEDSA-N 0 0 410.470 4.316 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cnccn1 ZINC000488876503 903054562 /nfs/dbraw/zinc/05/45/62/903054562.db2.gz GICNHVYPKRPBBX-ZDUSSCGKSA-N 0 0 414.922 4.002 20 30 HIEDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488886902 903058557 /nfs/dbraw/zinc/05/85/57/903058557.db2.gz RGNYIUKVRQASGM-UHFFFAOYSA-N 0 0 416.499 4.159 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)nnc1-c1ccccn1 ZINC000488896833 903066233 /nfs/dbraw/zinc/06/62/33/903066233.db2.gz AOKNOCJPFJLEQR-OAQYLSRUSA-N 0 0 419.554 4.194 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nnc1-c1cnccn1 ZINC000488899454 903067471 /nfs/dbraw/zinc/06/74/71/903067471.db2.gz OJMVMKJSBZEMRM-ZDUSSCGKSA-N 0 0 414.922 4.002 20 30 HIEDRN C=CCn1c(S[C@@H](CC)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccn1 ZINC000488930900 903082242 /nfs/dbraw/zinc/08/22/42/903082242.db2.gz MNOOLGYTNAQCDG-SFHVURJKSA-N 0 0 409.515 4.044 20 30 HIEDRN C=CCn1cccc1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000488970045 903100556 /nfs/dbraw/zinc/10/05/56/903100556.db2.gz BVTKDLGSRZPQHG-UHFFFAOYSA-N 0 0 402.281 4.443 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)NCCSCc3ccccc3F)CC2)c(F)c1 ZINC000506012872 914687596 /nfs/dbraw/zinc/68/75/96/914687596.db2.gz RXZJXHLFCRULDS-UHFFFAOYSA-N 0 0 415.509 4.102 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)c1ccccc1 ZINC000489024366 903128176 /nfs/dbraw/zinc/12/81/76/903128176.db2.gz LHMKWDINSHYJMJ-LJQANCHMSA-N 0 0 416.543 4.024 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)c1ccccc1 ZINC000489029857 903136726 /nfs/dbraw/zinc/13/67/26/903136726.db2.gz VARPOJXTFFNFHQ-HXUWFJFHSA-N 0 0 412.555 4.433 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCc2coc3ccccc23)CC1 ZINC000489033062 903138590 /nfs/dbraw/zinc/13/85/90/903138590.db2.gz GSGKHAKKSOEZBH-UHFFFAOYSA-N 0 0 416.437 4.085 20 30 HIEDRN C=CCc1ccc(OCC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(OC)c1 ZINC000506014647 914689985 /nfs/dbraw/zinc/68/99/85/914689985.db2.gz JJXNYDNDEOPHCH-UHFFFAOYSA-N 0 0 420.431 4.319 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000489059094 903163815 /nfs/dbraw/zinc/16/38/15/903163815.db2.gz RWSBZWWBPZQJBM-UHFFFAOYSA-N 0 0 414.405 4.085 20 30 HIEDRN COC(=O)CCc1csc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1 ZINC000489073542 903176253 /nfs/dbraw/zinc/17/62/53/903176253.db2.gz OMNJWCQAZXVKOA-UHFFFAOYSA-N 0 0 406.467 4.116 20 30 HIEDRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000489111112 903203834 /nfs/dbraw/zinc/20/38/34/903203834.db2.gz LRFKJQQJAAEQIY-UHFFFAOYSA-N 0 0 410.470 4.097 20 30 HIEDRN CC1(C)CN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)C[C@@H](C(F)(F)F)O1 ZINC000489128779 903218787 /nfs/dbraw/zinc/21/87/87/903218787.db2.gz AEBUHSMPYNMQHG-RYUDHWBXSA-N 0 0 402.310 4.180 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SC[C@@H](O)Cc1cccc(Cl)c1 ZINC000489317328 903327612 /nfs/dbraw/zinc/32/76/12/903327612.db2.gz WRMAVPLZBMZUCP-SFHVURJKSA-N 0 0 415.946 4.392 20 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C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1 ZINC000489669838 903532285 /nfs/dbraw/zinc/53/22/85/903532285.db2.gz WHRIQMQPEFBXOH-HNNXBMFYSA-N 0 0 423.498 4.467 20 30 HIEDRN Cc1ncc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000489709384 903552890 /nfs/dbraw/zinc/55/28/90/903552890.db2.gz GQNZZBUNNISRAM-MOPGFXCFSA-N 0 0 423.460 4.237 20 30 HIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)o2)cc1 ZINC000489752201 903579501 /nfs/dbraw/zinc/57/95/01/903579501.db2.gz DRZISXDBMWIZFH-UHFFFAOYSA-N 0 0 402.863 4.081 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1 ZINC000489769752 903590497 /nfs/dbraw/zinc/59/04/97/903590497.db2.gz DSDKBKJNFYNRJZ-UHFFFAOYSA-N 0 0 418.497 4.454 20 30 HIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OCC)o2)cc1 ZINC000489808389 903607495 /nfs/dbraw/zinc/60/74/95/903607495.db2.gz HIDDKUWMAZNUFF-UHFFFAOYSA-N 0 0 411.483 4.431 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(I)cc1 ZINC000489871552 903643662 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HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000490505477 904057373 /nfs/dbraw/zinc/05/73/73/904057373.db2.gz NZHONZQEMXNOOQ-UHFFFAOYSA-N 0 0 424.245 4.279 20 30 HIEDRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1C#N)CCC2 ZINC000506072676 914778020 /nfs/dbraw/zinc/77/80/20/914778020.db2.gz TYPCXZDGOHBLJG-AWEZNQCLSA-N 0 0 421.526 4.172 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3ccc(O)cc3)cc2Cl)c1 ZINC000490537728 904084761 /nfs/dbraw/zinc/08/47/61/904084761.db2.gz CDFZCOQRRWYSFJ-UHFFFAOYSA-N 0 0 421.840 4.073 20 30 HIEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000490543181 904089551 /nfs/dbraw/zinc/08/95/51/904089551.db2.gz ZMYYADVGTFAVQW-KRWDZBQOSA-N 0 0 410.923 4.047 20 30 HIEDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000490558224 904099178 /nfs/dbraw/zinc/09/91/78/904099178.db2.gz SERMRASINOOUHH-UHFFFAOYSA-N 0 0 400.895 4.145 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(Cl)c4ccncc34)C2)n1 ZINC000490587204 904120428 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CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000506541247 915186222 /nfs/dbraw/zinc/18/62/22/915186222.db2.gz LQOQMUQPJMWRQR-UHFFFAOYSA-N 0 0 411.364 4.219 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000506545949 915191060 /nfs/dbraw/zinc/19/10/60/915191060.db2.gz DBKUOKXEEYTFFH-HNNXBMFYSA-N 0 0 419.378 4.061 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000506552582 915198763 /nfs/dbraw/zinc/19/87/63/915198763.db2.gz LFAROXQMVZQTKO-NSHDSACASA-N 0 0 406.851 4.055 20 30 HIEDRN COc1cc(COc2ccccc2S(C)(=O)=O)ccc1OCc1cccc(C#N)c1 ZINC000506583400 915233611 /nfs/dbraw/zinc/23/36/11/915233611.db2.gz ICDXDHMNGXEVEN-UHFFFAOYSA-N 0 0 423.490 4.128 20 30 HIEDRN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513382886 921755775 /nfs/dbraw/zinc/75/57/75/921755775.db2.gz GXSAMTMCOYTNLH-NRFANRHFSA-N 0 0 414.461 4.049 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)cc2)n1 ZINC000506624840 915285066 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HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000532518428 931471694 /nfs/dbraw/zinc/47/16/94/931471694.db2.gz DDLHUIOTNVSOKC-OPYAIIAOSA-N 0 0 409.555 4.481 20 30 HIEDRN Cc1oc(-c2ccsc2)nc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532669896 931578092 /nfs/dbraw/zinc/57/80/92/931578092.db2.gz MUJNCUUIUGLBGP-UHFFFAOYSA-N 0 0 406.511 4.434 20 30 HIEDRN N#C[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000532672748 931578571 /nfs/dbraw/zinc/57/85/71/931578571.db2.gz LMANGGPNVBWUPP-HNNXBMFYSA-N 0 0 418.293 4.407 20 30 HIEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@](C)(C#N)CCc3ccccc3)C2)c1 ZINC000532686084 931584208 /nfs/dbraw/zinc/58/42/08/931584208.db2.gz ABEPRJGHYAVARK-ATIYNZHBSA-N 0 0 417.553 4.187 20 30 HIEDRN N#Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000532698984 931592998 /nfs/dbraw/zinc/59/29/98/931592998.db2.gz HCWMZUZGEOPSGR-UHFFFAOYSA-N 0 0 408.811 4.481 20 30 HIEDRN CN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H]1CCCc2ccccc21 ZINC000532788893 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/nfs/dbraw/zinc/69/25/63/939692563.db2.gz LJNDSXPWQUIYEB-KRWDZBQOSA-N 0 0 412.906 4.435 20 30 HIEDRN CC(C)OCc1ccccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542031359 939692973 /nfs/dbraw/zinc/69/29/73/939692973.db2.gz DJEGIPXSYKOZIJ-UHFFFAOYSA-N 0 0 407.449 4.130 20 30 HIEDRN C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccc2c(c1)OCO2 ZINC000542030478 939693034 /nfs/dbraw/zinc/69/30/34/939693034.db2.gz BPFOBIQWMJTPQA-LBPRGKRZSA-N 0 0 409.833 4.009 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542032898 939693490 /nfs/dbraw/zinc/69/34/90/939693490.db2.gz QVVXGDFWVBKYHH-UHFFFAOYSA-N 0 0 407.861 4.284 20 30 HIEDRN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542035814 939694512 /nfs/dbraw/zinc/69/45/12/939694512.db2.gz UFLMZLNMDJQGOK-OAHLLOKOSA-N 0 0 420.904 4.270 20 30 HIEDRN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000542051202 939699540 /nfs/dbraw/zinc/69/95/40/939699540.db2.gz MLLBFIDJISZBSG-INIZCTEOSA-N 0 0 404.491 4.467 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)nnc1-c1ccco1 ZINC000542061215 939701488 /nfs/dbraw/zinc/70/14/88/939701488.db2.gz JQCVWZZLKTWATP-YESZJQIVSA-N 0 0 400.548 4.243 20 30 HIEDRN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]2CCCC[C@H]21 ZINC000542060529 939701510 /nfs/dbraw/zinc/70/15/10/939701510.db2.gz ZJTVHGBEUUCVAP-MQNAVGNWSA-N 0 0 417.509 4.113 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3csc(Cc4cccc(F)c4)n3)n2)c(F)c1 ZINC000542060831 939701512 /nfs/dbraw/zinc/70/15/12/939701512.db2.gz HLZAJNASWFPEJR-UHFFFAOYSA-N 0 0 421.432 4.322 20 30 HIEDRN C[C@@H](NC(=O)NCCCOC1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542083042 939705032 /nfs/dbraw/zinc/70/50/32/939705032.db2.gz UYNLPZBLYCXHGV-GOSISDBHSA-N 0 0 407.514 4.171 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000542189170 939750397 /nfs/dbraw/zinc/75/03/97/939750397.db2.gz JDDTUXAQJFXFBS-ZDUSSCGKSA-N 0 0 407.392 4.041 20 30 HIEDRN COc1cc(C#N)cc(Cl)c1OC[C@H](O)COc1ccccc1C(F)(F)F ZINC000542189988 939750565 /nfs/dbraw/zinc/75/05/65/939750565.db2.gz BGWLRZYTAZJCLK-GFCCVEGCSA-N 0 0 401.768 4.058 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000542211017 939757959 /nfs/dbraw/zinc/75/79/59/939757959.db2.gz ODQUQBGUYSVUQE-UHFFFAOYSA-N 0 0 402.951 4.498 20 30 HIEDRN CN(C1CCCCC1)S(=O)(=O)c1ccc(NCc2cccc(C#N)c2F)cc1 ZINC000542234289 939767947 /nfs/dbraw/zinc/76/79/47/939767947.db2.gz VYWPSEMCDVDOQX-UHFFFAOYSA-N 0 0 401.507 4.263 20 30 HIEDRN COc1cccc([C@@H]2C[C@H](C)CN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000542239449 939770785 /nfs/dbraw/zinc/77/07/85/939770785.db2.gz FWUZKMGAPCXVGO-UGSOOPFHSA-N 0 0 424.444 4.357 20 30 HIEDRN Cc1cc(C)cc([C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000542245863 939771701 /nfs/dbraw/zinc/77/17/01/939771701.db2.gz SFLVLIHDSUOMRC-NRFANRHFSA-N 0 0 403.526 4.346 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000542259238 939774321 /nfs/dbraw/zinc/77/43/21/939774321.db2.gz HQWAYXIHRHXYEX-INIZCTEOSA-N 0 0 403.738 4.322 20 30 HIEDRN C[C@@H](NC(=O)NCCc1c[nH]c2ccc(Br)cc12)c1ccc(C#N)cc1 ZINC000542274828 939780927 /nfs/dbraw/zinc/78/09/27/939780927.db2.gz QMXVVXBQFCFFFA-CYBMUJFWSA-N 0 0 411.303 4.405 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000542293284 939787873 /nfs/dbraw/zinc/78/78/73/939787873.db2.gz RUKYDLHSFHQANO-UYAOXDASSA-N 0 0 416.506 4.047 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000542297231 939789345 /nfs/dbraw/zinc/78/93/45/939789345.db2.gz WJRMMVYOPZYGPD-UHFFFAOYSA-N 0 0 409.269 4.298 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000542298849 939789948 /nfs/dbraw/zinc/78/99/48/939789948.db2.gz QBOYMEYHZQVOSP-SJORKVTESA-N 0 0 415.287 4.088 20 30 HIEDRN CCN(CC)C(=O)COc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542361427 939807577 /nfs/dbraw/zinc/80/75/77/939807577.db2.gz AMMZAAZLHUUGAF-UHFFFAOYSA-N 0 0 420.513 4.002 20 30 HIEDRN CC(C)(C)N1C(=O)C[C@@H](C(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542366553 939808304 /nfs/dbraw/zinc/80/83/04/939808304.db2.gz GQWXCGXSXKHZGL-BEFAXECRSA-N 0 0 419.928 4.319 20 30 HIEDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542371487 939809209 /nfs/dbraw/zinc/80/92/09/939809209.db2.gz KIKBGZSVGNJWPO-UHFFFAOYSA-N 0 0 410.905 4.223 20 30 HIEDRN CCCN1c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2CCC1=O ZINC000542380827 939811253 /nfs/dbraw/zinc/81/12/53/939811253.db2.gz YWCGDBPTVFYQEZ-UHFFFAOYSA-N 0 0 402.498 4.444 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)NCc1sc(-c2ccccc2)nc1C ZINC000542424635 939819883 /nfs/dbraw/zinc/81/98/83/939819883.db2.gz QNNHURZNCTZBFU-UHFFFAOYSA-N 0 0 422.510 4.337 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)CCC(=O)c1csc2ccccc12 ZINC000542456085 939825909 /nfs/dbraw/zinc/82/59/09/939825909.db2.gz SNJBADKKUZLLLK-UHFFFAOYSA-N 0 0 408.479 4.400 20 30 HIEDRN Cc1cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)nn1-c1cccc(C#N)c1 ZINC000542560847 939843983 /nfs/dbraw/zinc/84/39/83/939843983.db2.gz LXIQFNOGLYVOKK-NZQKXSOJSA-N 0 0 418.472 4.184 20 30 HIEDRN Cc1csc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 ZINC000542579931 939845914 /nfs/dbraw/zinc/84/59/14/939845914.db2.gz CJONREOGQFJFOU-CQSZACIVSA-N 0 0 411.506 4.159 20 30 HIEDRN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](C)c2ncc(C)s2)cc1 ZINC000542616907 939849056 /nfs/dbraw/zinc/84/90/56/939849056.db2.gz KXNOELVYXJHHOX-OAHLLOKOSA-N 0 0 423.542 4.029 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000542626151 939849944 /nfs/dbraw/zinc/84/99/44/939849944.db2.gz FTGFAPVBIXJIOO-CTNGQTDRSA-N 0 0 423.582 4.353 20 30 HIEDRN C[C@@H](Oc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 ZINC000542807081 939861140 /nfs/dbraw/zinc/86/11/40/939861140.db2.gz NFRHADRYDATFBT-MRXNPFEDSA-N 0 0 418.501 4.100 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000542835871 939861824 /nfs/dbraw/zinc/86/18/24/939861824.db2.gz BNKQBNTWPXONML-UHFFFAOYSA-N 0 0 419.338 4.103 20 30 HIEDRN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000542838058 939862196 /nfs/dbraw/zinc/86/21/96/939862196.db2.gz ZLLFVPLHJJQFRF-LBPRGKRZSA-N 0 0 411.387 4.312 20 30 HIEDRN COc1ccc([C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C(C)C)cc1 ZINC000542838214 939862200 /nfs/dbraw/zinc/86/22/00/939862200.db2.gz LVPBCKGKPKXBML-NRFANRHFSA-N 0 0 407.449 4.410 20 30 HIEDRN COc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc(OC)c1C(C)C ZINC000542928723 939879982 /nfs/dbraw/zinc/87/99/82/939879982.db2.gz UBUJKLGUQQTVNI-UHFFFAOYSA-N 0 0 408.433 4.276 20 30 HIEDRN C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542930030 939880573 /nfs/dbraw/zinc/88/05/73/939880573.db2.gz LDQLVHPVBNGHPV-SBUREZEXSA-N 0 0 401.510 4.051 20 30 HIEDRN CC(=O)NCCc1ccc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000542932058 939880818 /nfs/dbraw/zinc/88/08/18/939880818.db2.gz MPJIIQSRTUTHJB-UHFFFAOYSA-N 0 0 406.429 4.231 20 30 HIEDRN C=CCn1c(SCCOc2ccccc2C(=O)OC)nnc1-c1cccs1 ZINC000542932927 939881069 /nfs/dbraw/zinc/88/10/69/939881069.db2.gz CZSLDNKOIGBKAU-UHFFFAOYSA-N 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407.495 4.432 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000550318198 941313740 /nfs/dbraw/zinc/31/37/40/941313740.db2.gz TVVHZDSIYHYINA-KRWDZBQOSA-N 0 0 405.951 4.319 20 30 HIEDRN C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000550338946 941316578 /nfs/dbraw/zinc/31/65/78/941316578.db2.gz LRBZEPUBLGEUBJ-LJQANCHMSA-N 0 0 423.944 4.494 20 30 HIEDRN C[C@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1 ZINC000550351325 941317437 /nfs/dbraw/zinc/31/74/37/941317437.db2.gz XGWKMKQEUWWXQA-LJQANCHMSA-N 0 0 404.923 4.461 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)c1C#N ZINC000550384413 941320161 /nfs/dbraw/zinc/32/01/61/941320161.db2.gz OSLHHGYLYWZNHF-UHFFFAOYSA-N 0 0 401.507 4.089 20 30 HIEDRN COC(=O)c1cccc(CN(CCCO)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000550391292 941321164 /nfs/dbraw/zinc/32/11/64/941321164.db2.gz CUKLWAMSPLEPPP-UHFFFAOYSA-N 0 0 407.297 4.036 20 30 HIEDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCc4ccc(C#N)cc43)cc2[N+](=O)[O-])C1 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COc1ccccc1C1(c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)CC1 ZINC000551493890 941489724 /nfs/dbraw/zinc/48/97/24/941489724.db2.gz NGJJWSPINGMEAY-UHFFFAOYSA-N 0 0 416.481 4.038 20 30 HIEDRN CC(C)(C)c1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1[N+](=O)[O-] ZINC000551500693 941490673 /nfs/dbraw/zinc/49/06/73/941490673.db2.gz LAYJKECWYHILIS-UHFFFAOYSA-N 0 0 424.457 4.152 20 30 HIEDRN CCSc1cccc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000551543611 941498618 /nfs/dbraw/zinc/49/86/18/941498618.db2.gz UFCQFAFBEYGCKZ-OAHLLOKOSA-N 0 0 413.568 4.448 20 30 HIEDRN CCSc1cccc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000551543610 941498690 /nfs/dbraw/zinc/49/86/90/941498690.db2.gz UFCQFAFBEYGCKZ-HNNXBMFYSA-N 0 0 413.568 4.448 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000551556243 941500466 /nfs/dbraw/zinc/50/04/66/941500466.db2.gz PWJJFAAXMPQDDI-FQEVSTJZSA-N 0 0 418.474 4.250 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1)c1ccccc1 ZINC000551595759 941509321 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N#CCCSc1ccccc1NC(=O)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000551857923 941558790 /nfs/dbraw/zinc/55/87/90/941558790.db2.gz PFMMRVJYYDMXLD-HXUWFJFHSA-N 0 0 405.523 4.385 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000551975264 941564601 /nfs/dbraw/zinc/56/46/01/941564601.db2.gz NWUNYPITSJLZPX-KRWDZBQOSA-N 0 0 402.267 4.435 20 30 HIEDRN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)CCC(C)(C)C#N ZINC000552021066 941569292 /nfs/dbraw/zinc/56/92/92/941569292.db2.gz VOEXYLZGTLXDNV-UHFFFAOYSA-N 0 0 400.548 4.142 20 30 HIEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)[C@@H](C)c1ccc(F)cc1 ZINC000552032563 941570407 /nfs/dbraw/zinc/57/04/07/941570407.db2.gz XPBADEGPLMPTHO-ZDUSSCGKSA-N 0 0 405.882 4.459 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000552116588 941588501 /nfs/dbraw/zinc/58/85/01/941588501.db2.gz CQJHQJWHIZPVJG-DEOSSOPVSA-N 0 0 416.525 4.319 20 30 HIEDRN N#C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 ZINC000552118340 941588854 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Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000552491886 941687969 /nfs/dbraw/zinc/68/79/69/941687969.db2.gz PMYSQVDBXQONSP-MRVPVSSYSA-N 0 0 409.305 4.015 20 30 HIEDRN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000552553574 941706207 /nfs/dbraw/zinc/70/62/07/941706207.db2.gz VGIKMPIMXZHVBV-UHFFFAOYSA-N 0 0 403.461 4.251 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1cc(Br)sc1Br ZINC000552576924 941711593 /nfs/dbraw/zinc/71/15/93/941711593.db2.gz VRRVCJHHDKVSEQ-UHFFFAOYSA-N 0 0 415.110 4.439 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000552582291 941712485 /nfs/dbraw/zinc/71/24/85/941712485.db2.gz FPSWXLNJKQGDGQ-FQEVSTJZSA-N 0 0 414.465 4.027 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(Oc2ccccc2)nc1)c1ccccc1 ZINC000552637892 941728302 /nfs/dbraw/zinc/72/83/02/941728302.db2.gz KDNCKXVXIQJGQC-JOCHJYFZSA-N 0 0 415.493 4.314 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552707393 941741881 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4.037 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[S@](=O)C(CC)(CC)C1 ZINC000555261598 942451340 /nfs/dbraw/zinc/45/13/40/942451340.db2.gz XAVQZXTZFJPQHS-PMERELPUSA-N 0 0 423.586 4.197 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000555261572 942451410 /nfs/dbraw/zinc/45/14/10/942451410.db2.gz WFCSINARVURBRH-DZGCQCFKSA-N 0 0 400.470 4.031 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000555261575 942451524 /nfs/dbraw/zinc/45/15/24/942451524.db2.gz WFCSINARVURBRH-ZFWWWQNUSA-N 0 0 400.470 4.031 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(C)cc(C)c1 ZINC000555260648 942451684 /nfs/dbraw/zinc/45/16/84/942451684.db2.gz IWIQKAVSGZOOOJ-UHFFFAOYSA-N 0 0 409.559 4.099 20 30 HIEDRN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000555264644 942453498 /nfs/dbraw/zinc/45/34/98/942453498.db2.gz SXOQMXZWSLASJC-OAQYLSRUSA-N 0 0 416.610 4.389 20 30 HIEDRN C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000555264974 942454328 /nfs/dbraw/zinc/45/43/28/942454328.db2.gz OFEGVVBLYGCQCH-SFHVURJKSA-N 0 0 422.508 4.380 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC000555266384 942454332 /nfs/dbraw/zinc/45/43/32/942454332.db2.gz YCHFCSONMAKHMG-LJQANCHMSA-N 0 0 406.505 4.489 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(OC)CC1 ZINC000555268189 942455053 /nfs/dbraw/zinc/45/50/53/942455053.db2.gz IKDUOVLQBZIQGS-UHFFFAOYSA-N 0 0 408.502 4.308 20 30 HIEDRN C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(OCC2CC2)CC1 ZINC000555269423 942455723 /nfs/dbraw/zinc/45/57/23/942455723.db2.gz WTWKJDBXLZJBTH-UHFFFAOYSA-N 0 0 400.592 4.486 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000555269713 942456070 /nfs/dbraw/zinc/45/60/70/942456070.db2.gz SIYQKGLTNKBSPN-PGRDOPGGSA-N 0 0 404.562 4.346 20 30 HIEDRN C=C(C)Cn1c(C(C)C)nnc1N1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000555271363 942456745 /nfs/dbraw/zinc/45/67/45/942456745.db2.gz DAENDGNYAUVMJU-UHFFFAOYSA-N 0 0 422.533 4.420 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC000555270648 942456953 /nfs/dbraw/zinc/45/69/53/942456953.db2.gz GAYUNLXPVPOCQK-LJQANCHMSA-N 0 0 409.317 4.217 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000555270751 942457038 /nfs/dbraw/zinc/45/70/38/942457038.db2.gz KRASPXONOXPFLG-IBGZPJMESA-N 0 0 420.355 4.009 20 30 HIEDRN C=C(C)Cn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000555271306 942457071 /nfs/dbraw/zinc/45/70/71/942457071.db2.gz AAPDJNJJZCCMEM-SFHVURJKSA-N 0 0 407.518 4.123 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000555269819 942457074 /nfs/dbraw/zinc/45/70/74/942457074.db2.gz XCBMMBDQOLJARE-OAQYLSRUSA-N 0 0 421.545 4.484 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CSc2ccccc2)C1 ZINC000555271967 942457793 /nfs/dbraw/zinc/45/77/93/942457793.db2.gz DYSNABKZYGYXDW-FQEVSTJZSA-N 0 0 422.602 4.334 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC000555271599 942457914 /nfs/dbraw/zinc/45/79/14/942457914.db2.gz BUPOXMIYGLIFST-UHFFFAOYSA-N 0 0 402.546 4.077 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC000555273088 942458712 /nfs/dbraw/zinc/45/87/12/942458712.db2.gz QDRSAMYCPZIEOT-UHFFFAOYSA-N 0 0 411.481 4.313 20 30 HIEDRN N#Cc1cccc(OC2CCN(c3nnc(C4CCCC4)n3C[C@H]3CCCO3)CC2)c1 ZINC000555371008 942500124 /nfs/dbraw/zinc/50/01/24/942500124.db2.gz FATNDFJIEYZEDR-JOCHJYFZSA-N 0 0 421.545 4.034 20 30 HIEDRN Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 ZINC000555433843 942530703 /nfs/dbraw/zinc/53/07/03/942530703.db2.gz YDCWSUGTGFFERH-UHFFFAOYSA-N 0 0 406.540 4.328 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCOC2)cc1 ZINC000555446475 942549728 /nfs/dbraw/zinc/54/97/28/942549728.db2.gz FNLFCGFDXMXMER-LJQANCHMSA-N 0 0 407.562 4.409 20 30 HIEDRN CCc1ccccc1OCc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCCO1 ZINC000555449913 942553451 /nfs/dbraw/zinc/55/34/51/942553451.db2.gz KBFXGJVMWOHBTE-OAQYLSRUSA-N 0 0 423.561 4.119 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Cc2cnc3ccccc3n2)cc1 ZINC000555460283 942562896 /nfs/dbraw/zinc/56/28/96/942562896.db2.gz MGSBXCAAOLCELY-GOSISDBHSA-N 0 0 414.509 4.261 20 30 HIEDRN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCCO1 ZINC000555484662 942586742 /nfs/dbraw/zinc/58/67/42/942586742.db2.gz AGPWBULVNQRNIX-MDZRGWNJSA-N 0 0 417.941 4.236 20 30 HIEDRN CCc1cnc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)s1 ZINC000555499379 942600948 /nfs/dbraw/zinc/60/09/48/942600948.db2.gz BFURJNJSKMWAMQ-SFHVURJKSA-N 0 0 422.558 4.041 20 30 HIEDRN C=C(C)Cn1c(SCc2nc(-c3cc(C)nc(OC)c3)no2)nnc1-c1ccco1 ZINC000555506298 942608776 /nfs/dbraw/zinc/60/87/76/942608776.db2.gz NZVARUBWSFPPHF-UHFFFAOYSA-N 0 0 424.486 4.169 20 30 HIEDRN C[C@]1(c2ccccc2)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 ZINC000555520220 942622308 /nfs/dbraw/zinc/62/23/08/942622308.db2.gz HNLHRYJYLCFQRX-NLFFAJNJSA-N 0 0 413.525 4.021 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000555549375 942637989 /nfs/dbraw/zinc/63/79/89/942637989.db2.gz CHLABNOPWCPEBM-UHFFFAOYSA-N 0 0 417.459 4.461 20 30 HIEDRN C=CCc1ccccc1OC[C@@H](O)COc1c(OC)cc(Br)cc1OC ZINC000555581768 942653280 /nfs/dbraw/zinc/65/32/80/942653280.db2.gz KRVKCRXEBMLSEG-MRXNPFEDSA-N 0 0 423.303 4.014 20 30 HIEDRN C[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc21 ZINC000555585528 942655986 /nfs/dbraw/zinc/65/59/86/942655986.db2.gz GRCWXZMAYJUWGI-HNNXBMFYSA-N 0 0 402.454 4.173 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000555774991 942727802 /nfs/dbraw/zinc/72/78/02/942727802.db2.gz OIPFFLCZFWJPDH-IBGZPJMESA-N 0 0 402.947 4.492 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000555799863 942737300 /nfs/dbraw/zinc/73/73/00/942737300.db2.gz WRGXQQOJQQHUIR-HXUWFJFHSA-N 0 0 400.906 4.131 20 30 HIEDRN C[C@@](C#N)(NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)C1CCCCC1 ZINC000555905631 942769885 /nfs/dbraw/zinc/76/98/85/942769885.db2.gz XWQXQGBKJLJREB-QHCPKHFHSA-N 0 0 410.539 4.253 20 30 HIEDRN C=CCN(C(=O)c1ccc2ccc(OC)cc2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000555987760 942783462 /nfs/dbraw/zinc/78/34/62/942783462.db2.gz FFELYBGMLPYLTI-QGZVFWFLSA-N 0 0 413.481 4.214 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556037056 942792153 /nfs/dbraw/zinc/79/21/53/942792153.db2.gz BAGQLXDLLDFNNA-HUUCEWRRSA-N 0 0 407.417 4.030 20 30 HIEDRN CC(C)Cc1ccc([C@H](NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000556037432 942792210 /nfs/dbraw/zinc/79/22/10/942792210.db2.gz IPRLKOOEHHMCGZ-HXOBKFHXSA-N 0 0 403.526 4.201 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(O[C@@H]4CCOC4)cc3)s2)cc1 ZINC000556073480 942801310 /nfs/dbraw/zinc/80/13/10/942801310.db2.gz OZKZGYHQBGICDN-LJQANCHMSA-N 0 0 405.479 4.026 20 30 HIEDRN CC(=O)Nc1cc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)ccc1Cl ZINC000556128752 942808688 /nfs/dbraw/zinc/80/86/88/942808688.db2.gz GMGAEWSVQSDGAQ-UHFFFAOYSA-N 0 0 418.906 4.106 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000556222557 942820865 /nfs/dbraw/zinc/82/08/65/942820865.db2.gz XHFLBONOKLCSGD-IRXDYDNUSA-N 0 0 401.919 4.444 20 30 HIEDRN N#Cc1cn(Cc2ccc(C(F)(F)F)cn2)c2ccc(Br)cc2c1=O ZINC000556325753 942841835 /nfs/dbraw/zinc/84/18/35/942841835.db2.gz UFRIDWPCAWXQAX-UHFFFAOYSA-N 0 0 408.177 4.098 20 30 HIEDRN Cc1ccc(C)c([C@@H]2CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)[C@@H](C)CO2)c1 ZINC000556344297 942846476 /nfs/dbraw/zinc/84/64/76/942846476.db2.gz GTHXMUHLITXKJJ-KSSFIOAISA-N 0 0 403.404 4.191 20 30 HIEDRN CCCOc1ccc(Cl)cc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000556378658 942852334 /nfs/dbraw/zinc/85/23/34/942852334.db2.gz ZUBFFFFUEHWAIQ-UHFFFAOYSA-N 0 0 402.882 4.152 20 30 HIEDRN O=S(=O)(CCC(F)(F)F)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000556393381 942855677 /nfs/dbraw/zinc/85/56/77/942855677.db2.gz LTVORWITLMHGGJ-UHFFFAOYSA-N 0 0 407.351 4.248 20 30 HIEDRN N#Cc1cc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)ccc1F ZINC000556440004 942867038 /nfs/dbraw/zinc/86/70/38/942867038.db2.gz PAAHPJOMKNFTHB-UHFFFAOYSA-N 0 0 408.351 4.032 20 30 HIEDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(F)c(C#N)c1)C1CC1 ZINC000556454302 942872859 /nfs/dbraw/zinc/87/28/59/942872859.db2.gz SCYBNYKLKLIQKY-LJQANCHMSA-N 0 0 400.837 4.260 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)C(=O)NC2CCC(C)(C)CC2)n(-c2ccc(C#N)cc2)n1 ZINC000556560585 942899466 /nfs/dbraw/zinc/89/94/66/942899466.db2.gz JCCQNTHODPTGDA-UHFFFAOYSA-N 0 0 421.545 4.065 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1 ZINC000556639945 942924376 /nfs/dbraw/zinc/92/43/76/942924376.db2.gz NMUMOZXJZIMFHO-NSHDSACASA-N 0 0 415.375 4.075 20 30 HIEDRN C[C@H](Cc1ccsc1)NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000556658658 942927933 /nfs/dbraw/zinc/92/79/33/942927933.db2.gz HOGAJITYLIFHAT-SJORKVTESA-N 0 0 417.534 4.211 20 30 HIEDRN Cc1noc(C)c1C(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000556886094 942950802 /nfs/dbraw/zinc/95/08/02/942950802.db2.gz SNZIVSWKBXEGKH-UHFFFAOYSA-N 0 0 423.492 4.173 20 30 HIEDRN CC(C)(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1cc(F)cc(C#N)c1 ZINC000556889772 942953055 /nfs/dbraw/zinc/95/30/55/942953055.db2.gz GDXAEZSZOMHGFW-UHFFFAOYSA-N 0 0 424.867 4.120 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)c2)cc1 ZINC000556994705 942989706 /nfs/dbraw/zinc/98/97/06/942989706.db2.gz VSROPAXFXLXIAN-UHFFFAOYSA-N 0 0 416.828 4.232 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000556997497 942990213 /nfs/dbraw/zinc/99/02/13/942990213.db2.gz RFHKOPGNQKVWJS-UHFFFAOYSA-N 0 0 413.905 4.226 20 30 HIEDRN C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000557012765 942993842 /nfs/dbraw/zinc/99/38/42/942993842.db2.gz KIZNPCNUOHYQKH-SFHVURJKSA-N 0 0 414.509 4.499 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000557010210 942993861 /nfs/dbraw/zinc/99/38/61/942993861.db2.gz VHRSDAOGFSEITG-KNQAVFIVSA-N 0 0 405.517 4.441 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000557061043 943008757 /nfs/dbraw/zinc/00/87/57/943008757.db2.gz GCMKKORDXYPIGV-UHFFFAOYSA-N 0 0 403.339 4.196 20 30 HIEDRN N#Cc1ccc(C(=O)CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cc1 ZINC000557109533 943021758 /nfs/dbraw/zinc/02/17/58/943021758.db2.gz CJRYFYPNKFYWQZ-UHFFFAOYSA-N 0 0 415.836 4.488 20 30 HIEDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000557204136 943050463 /nfs/dbraw/zinc/05/04/63/943050463.db2.gz XENMRHAUSPSIRH-CYBMUJFWSA-N 0 0 401.279 4.444 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000557383027 943094391 /nfs/dbraw/zinc/09/43/91/943094391.db2.gz KMDUOLCDYFWVKO-UHFFFAOYSA-N 0 0 417.538 4.104 20 30 HIEDRN COc1ccnc2c(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cccc12 ZINC000557399147 943103398 /nfs/dbraw/zinc/10/33/98/943103398.db2.gz HMWIZMFGTINMFE-UHFFFAOYSA-N 0 0 404.445 4.109 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(OCc4cscn4)c3)C2)c(F)c1 ZINC000557470780 943149890 /nfs/dbraw/zinc/14/98/90/943149890.db2.gz CYSYSWIAOAZRRK-MRXNPFEDSA-N 0 0 422.485 4.198 20 30 HIEDRN C[C@H](CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000557472986 943151641 /nfs/dbraw/zinc/15/16/41/943151641.db2.gz QWMNZWJOJSCMAT-RDTXWAMCSA-N 0 0 403.404 4.146 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(-c4cccc5cccnc54)cc3)C2)nc1 ZINC000557474655 943153192 /nfs/dbraw/zinc/15/31/92/943153192.db2.gz RYFAAHZGDWLTHZ-QFIPXVFZSA-N 0 0 420.472 4.462 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)C2)c(F)c1 ZINC000557504213 943173695 /nfs/dbraw/zinc/17/36/95/943173695.db2.gz PJFNMGQYQONYEF-OAHLLOKOSA-N 0 0 417.406 4.348 20 30 HIEDRN N#Cc1c(N2CCO[C@H](c3ccc(Br)cc3)C2)nc2cc(Cl)ccn12 ZINC000557534424 943195680 /nfs/dbraw/zinc/19/56/80/943195680.db2.gz AVDAOGVKURCRCZ-INIZCTEOSA-N 0 0 417.694 4.200 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000557555095 943205662 /nfs/dbraw/zinc/20/56/62/943205662.db2.gz HPGFJKZMAHWWIV-CTNGQTDRSA-N 0 0 412.873 4.024 20 30 HIEDRN CC(C)[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1F ZINC000557577433 943216720 /nfs/dbraw/zinc/21/67/20/943216720.db2.gz UJAVZIWSSICEPV-QVKFZJNVSA-N 0 0 401.432 4.315 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N(Cc3ccco3)Cc3ccc(O)cc3)C2)c(F)c1 ZINC000557597723 943225238 /nfs/dbraw/zinc/22/52/38/943225238.db2.gz OEWOAMDROLPTPK-LJQANCHMSA-N 0 0 419.456 4.051 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc(C)c(Br)c1OC ZINC000557598838 943226190 /nfs/dbraw/zinc/22/61/90/943226190.db2.gz CWPZKMVAIRVQES-UHFFFAOYSA-N 0 0 414.321 4.131 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Cl)c(OC(F)F)c3)C2)c(F)c1 ZINC000557616362 943232336 /nfs/dbraw/zinc/23/23/36/943232336.db2.gz NEGZLLQIIWBWQY-GFCCVEGCSA-N 0 0 409.795 4.417 20 30 HIEDRN C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000557632746 943239928 /nfs/dbraw/zinc/23/99/28/943239928.db2.gz TZVPXXWHVWVYMC-CQSZACIVSA-N 0 0 411.421 4.955 20 30 HIEDRN Cc1cc(C#N)nc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000557640547 943243904 /nfs/dbraw/zinc/24/39/04/943243904.db2.gz KJGQCAQTZFXGGM-QFIPXVFZSA-N 0 0 403.917 4.222 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)c2c1 ZINC000557645322 943246912 /nfs/dbraw/zinc/24/69/12/943246912.db2.gz FVEYDJJRUTXCIB-PGRDOPGGSA-N 0 0 411.408 4.344 20 30 HIEDRN N#Cc1c(N2CCOc3ccc(Br)cc3C2)nc2cc(Cl)ccn12 ZINC000557688240 943259335 /nfs/dbraw/zinc/25/93/35/943259335.db2.gz LCQDGSOWILQRND-UHFFFAOYSA-N 0 0 403.667 4.021 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000557697896 943262346 /nfs/dbraw/zinc/26/23/46/943262346.db2.gz VNTKKRVYDIXYIT-LBPRGKRZSA-N 0 0 410.827 4.045 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000557751805 943279140 /nfs/dbraw/zinc/27/91/40/943279140.db2.gz UQMDGZGXLZBPNR-YOEHRIQHSA-N 0 0 415.534 4.304 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2c(F)cncc2F)cc1C ZINC000557783171 943290050 /nfs/dbraw/zinc/29/00/50/943290050.db2.gz RZDFTTUUMJCFRG-HNNXBMFYSA-N 0 0 409.440 4.245 20 30 HIEDRN C=CCOc1ccc(CNC(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)cc1 ZINC000557806679 943297236 /nfs/dbraw/zinc/29/72/36/943297236.db2.gz BDMXJXIBCBMICU-UHFFFAOYSA-N 0 0 419.481 4.447 20 30 HIEDRN O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccnc1C(F)(F)F ZINC000557841543 943310350 /nfs/dbraw/zinc/31/03/50/943310350.db2.gz WLZKQFPMLJEJJF-NSHDSACASA-N 0 0 416.318 4.212 20 30 HIEDRN N#CCCCCS(=O)(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000557864010 943315248 /nfs/dbraw/zinc/31/52/48/943315248.db2.gz IQSFNQQXTKZXFP-GOSISDBHSA-N 0 0 407.333 4.152 20 30 HIEDRN CCC(CC)c1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000557877938 943318017 /nfs/dbraw/zinc/31/80/17/943318017.db2.gz VIAWXPRQJBBNEI-UHFFFAOYSA-N 0 0 414.481 4.342 20 30 HIEDRN N#Cc1ccncc1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000557878109 943318248 /nfs/dbraw/zinc/31/82/48/943318248.db2.gz KFOVNDPPHOVGTP-HSZRJFAPSA-N 0 0 416.912 4.154 20 30 HIEDRN C[C@H](OCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)c1nccn1C ZINC000557886489 943321649 /nfs/dbraw/zinc/32/16/49/943321649.db2.gz MYTZABYSZQJEFB-HNNXBMFYSA-N 0 0 424.888 4.240 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC000557953535 943339231 /nfs/dbraw/zinc/33/92/31/943339231.db2.gz HMHQGYSBRXAKJC-UHFFFAOYSA-N 0 0 417.552 4.170 20 30 HIEDRN C=CC[C@H]1N(C(=O)C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CCCC1(C)C ZINC000557964430 943341649 /nfs/dbraw/zinc/34/16/49/943341649.db2.gz YWGSMWZOVVFDOP-NHCUHLMSSA-N 0 0 409.505 4.020 20 30 HIEDRN CCCCN1C(=O)CC[C@H](C(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccccc1OC ZINC000557974415 943344512 /nfs/dbraw/zinc/34/45/12/943344512.db2.gz OEEYHOJHXPRTHT-UGKGYDQZSA-N 0 0 413.562 4.221 20 30 HIEDRN Cc1cccc([C@H](C)NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C ZINC000558024943 943359049 /nfs/dbraw/zinc/35/90/49/943359049.db2.gz ZQXIZWIAAKJDIS-KRWDZBQOSA-N 0 0 419.485 4.016 20 30 HIEDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000558045385 943365472 /nfs/dbraw/zinc/36/54/72/943365472.db2.gz HEWVOTRKQYAJND-CHWSQXEVSA-N 0 0 402.310 4.333 20 30 HIEDRN COc1cc(Cl)c(Br)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000558045463 943365636 /nfs/dbraw/zinc/36/56/36/943365636.db2.gz IWGWKASORGYKKZ-HIFRSBDPSA-N 0 0 419.706 4.490 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N(C)Cc2cc(Br)ccc2OC)cc1 ZINC000558111584 943383008 /nfs/dbraw/zinc/38/30/08/943383008.db2.gz LXYWHLBADOLIRB-UHFFFAOYSA-N 0 0 419.319 4.364 20 30 HIEDRN COc1ccc(-c2ocnc2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000558179777 943413345 /nfs/dbraw/zinc/41/33/45/943413345.db2.gz LEMTTWUHDNJVLU-UHFFFAOYSA-N 0 0 403.316 4.373 20 30 HIEDRN Cc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1C(=O)N(C)C(C)C ZINC000558210093 943434170 /nfs/dbraw/zinc/43/41/70/943434170.db2.gz KASCMRRWSHIWPQ-UHFFFAOYSA-N 0 0 422.529 4.028 20 30 HIEDRN COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000558213767 943436060 /nfs/dbraw/zinc/43/60/60/943436060.db2.gz GDDDDAUAASKVHJ-UHFFFAOYSA-N 0 0 409.667 4.252 20 30 HIEDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2cc(C#N)c3ccccc3n2)s1 ZINC000558248996 943459100 /nfs/dbraw/zinc/45/91/00/943459100.db2.gz RSGRDBWHSRBSNH-SFHVURJKSA-N 0 0 414.494 4.027 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)cc2)cc1 ZINC000558307982 943496593 /nfs/dbraw/zinc/49/65/93/943496593.db2.gz HTVARXMIWILNPD-HNAYVOBHSA-N 0 0 419.403 4.375 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCOC[C@@H]2CC(F)F)cc1 ZINC000558313614 943500550 /nfs/dbraw/zinc/50/05/50/943500550.db2.gz BKDCOUWTRAXKFF-INIZCTEOSA-N 0 0 417.412 4.247 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000558339635 943515870 /nfs/dbraw/zinc/51/58/70/943515870.db2.gz LZQPTHHYUANKDF-MGPQQGTHSA-N 0 0 401.454 4.105 20 30 HIEDRN COc1cc(Cc2noc(-c3cc(C4CC4)nc(SC)c3C#N)n2)ccc1[N+](=O)[O-] ZINC000558352347 943521256 /nfs/dbraw/zinc/52/12/56/943521256.db2.gz FEJUFSMCKXXYFL-UHFFFAOYSA-N 0 0 423.454 4.110 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC000558379251 943534751 /nfs/dbraw/zinc/53/47/51/943534751.db2.gz FSVICOOVRCNWFF-UHFFFAOYSA-N 0 0 414.502 4.266 20 30 HIEDRN CC(C)CN(Cc1ccccc1Br)S(=O)(=O)CCC(C)(C)C#N ZINC000558435525 943559065 /nfs/dbraw/zinc/55/90/65/943559065.db2.gz BWFQLCBURWTIJL-UHFFFAOYSA-N 0 0 401.370 4.177 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(CSc2ccccc2OC)n1C ZINC000558439958 943559474 /nfs/dbraw/zinc/55/94/74/943559474.db2.gz UIYOZITWHBFIHX-UHFFFAOYSA-N 0 0 405.527 4.180 20 30 HIEDRN CC(C)(C#N)CCS(=O)(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000558440265 943559489 /nfs/dbraw/zinc/55/94/89/943559489.db2.gz WTISXNXFZHTTQZ-OAHLLOKOSA-N 0 0 406.495 4.065 20 30 HIEDRN Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000558442705 943560590 /nfs/dbraw/zinc/56/05/90/943560590.db2.gz OUEGKVZGIQPIRG-GOSISDBHSA-N 0 0 408.303 4.458 20 30 HIEDRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000558451747 943563152 /nfs/dbraw/zinc/56/31/52/943563152.db2.gz NAAWBBVKSCASJT-CYBMUJFWSA-N 0 0 422.323 4.296 20 30 HIEDRN C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000558454280 943563796 /nfs/dbraw/zinc/56/37/96/943563796.db2.gz DYAXRQLSRBFQMT-IRXDYDNUSA-N 0 0 409.317 4.200 20 30 HIEDRN C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000558453989 943563836 /nfs/dbraw/zinc/56/38/36/943563836.db2.gz BWPLQJHWROWUSZ-IBGZPJMESA-N 0 0 400.276 4.100 20 30 HIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000558455163 943564581 /nfs/dbraw/zinc/56/45/81/943564581.db2.gz UEIIBJQPTOERGI-HNNXBMFYSA-N 0 0 409.440 4.390 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)Nc3cc(-c4cccnc4)ccc3C)CC2)c1C#N ZINC000558496746 943575708 /nfs/dbraw/zinc/57/57/08/943575708.db2.gz FKAAPVOYJWGMSM-UHFFFAOYSA-N 0 0 418.526 4.048 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCC(F)(F)c3ccccc3)ccc21 ZINC000558499372 943577209 /nfs/dbraw/zinc/57/72/09/943577209.db2.gz XKZHQDXONWFVIQ-UHFFFAOYSA-N 0 0 412.440 4.183 20 30 HIEDRN N#CCC[C@H](C#N)CNc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000558506410 943579078 /nfs/dbraw/zinc/57/90/78/943579078.db2.gz IOOLONBXLSZGJL-MRXNPFEDSA-N 0 0 411.303 4.235 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Sc3ccccc3)cc2)cc1F ZINC000558525428 943588440 /nfs/dbraw/zinc/58/84/40/943588440.db2.gz USUUCGGQHJDUSY-UHFFFAOYSA-N 0 0 405.454 4.103 20 30 HIEDRN COc1cc(C(=O)[C@@H](C#N)c2ccncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558532140 943590102 /nfs/dbraw/zinc/59/01/02/943590102.db2.gz ITJCOOSGYLGTNC-AWEZNQCLSA-N 0 0 424.800 4.329 20 30 HIEDRN C[C@](O)(C1CCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1)C(F)(F)F ZINC000558559246 943598196 /nfs/dbraw/zinc/59/81/96/943598196.db2.gz GLWGVRBWHPEFFO-AWEZNQCLSA-N 0 0 405.285 4.149 20 30 HIEDRN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558587984 943609744 /nfs/dbraw/zinc/60/97/44/943609744.db2.gz KLQUIBUTHQHXHL-UHFFFAOYSA-N 0 0 402.523 4.135 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000558594151 943612032 /nfs/dbraw/zinc/61/20/32/943612032.db2.gz FLHLWJJFPFLPMI-ROUUACIJSA-N 0 0 410.315 4.032 20 30 HIEDRN COc1cc(CNc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)ccc1C#N ZINC000558600000 943614277 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HIEDRN C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N(CCOC)CCOC ZINC000574004196 948347582 /nfs/dbraw/zinc/34/75/82/948347582.db2.gz VCXDLQUUSISLOB-UHFFFAOYSA-N 0 0 406.939 4.098 20 30 HIEDRN N#C[C@@H]1N(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC[C@@]12CCCCO2 ZINC000574028814 948352745 /nfs/dbraw/zinc/35/27/45/948352745.db2.gz HQCBPELCKXBKRF-WMZOPIPTSA-N 0 0 410.948 4.171 20 30 HIEDRN Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2nccc(C)c2c1 ZINC000574179361 948379756 /nfs/dbraw/zinc/37/97/56/948379756.db2.gz WKJDMOKBGFGWEP-UHFFFAOYSA-N 0 0 412.493 4.214 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000574184404 948380563 /nfs/dbraw/zinc/38/05/63/948380563.db2.gz UFJWAKVEGWPPRL-LJQANCHMSA-N 0 0 416.403 4.109 20 30 HIEDRN C=C(C)[C@H](NC(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(F)c(F)c1 ZINC000574228074 948391520 /nfs/dbraw/zinc/39/15/20/948391520.db2.gz IHHNGQHUSBLLGN-JLSDUUJJSA-N 0 0 418.444 4.062 20 30 HIEDRN N#Cc1cccc(-c2nnc(CSc3nnc(Nc4cccc(F)c4)s3)o2)c1 ZINC000574247613 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HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC(c4c[nH]c5cc(F)ccc54)CC3)n2)c1 ZINC000409693257 855604873 /nfs/dbraw/zinc/60/48/73/855604873.db2.gz UXZHBHDPXIHCNK-UHFFFAOYSA-N 0 0 413.456 4.384 20 30 HIEDRN C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccc(C#N)cc1 ZINC000409708063 855613330 /nfs/dbraw/zinc/61/33/30/855613330.db2.gz WYTKBFKGWOZDFF-YVEFUNNKSA-N 0 0 400.276 4.205 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)c1 ZINC000409730588 855624551 /nfs/dbraw/zinc/62/45/51/855624551.db2.gz WSAKXCWSBDAEPY-QGZVFWFLSA-N 0 0 403.486 4.360 20 30 HIEDRN COc1ccccc1-n1ncc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000409748321 855633930 /nfs/dbraw/zinc/63/39/30/855633930.db2.gz FQAKZUKPPXSWNP-PZJWPPBQSA-N 0 0 400.482 4.101 20 30 HIEDRN C[C@H](NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)c1ccc(C#N)cc1 ZINC000409785887 855653392 /nfs/dbraw/zinc/65/33/92/855653392.db2.gz GDUNESDTQWKBEA-NSHDSACASA-N 0 0 419.794 4.302 20 30 HIEDRN C=CCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(C(=O)OCC)cs1 ZINC000409835296 855679374 /nfs/dbraw/zinc/67/93/74/855679374.db2.gz ZOWIPPICFZKAKJ-UHFFFAOYSA-N 0 0 400.378 4.051 20 30 HIEDRN COc1cc(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c(C)c(OC)c1 ZINC000409850575 855687025 /nfs/dbraw/zinc/68/70/25/855687025.db2.gz ZRYWMDBFAPZEEA-UHFFFAOYSA-N 0 0 401.894 4.333 20 30 HIEDRN C=CCCc1ccccc1NCC(=O)Nc1ccccc1I ZINC000409854729 855690084 /nfs/dbraw/zinc/69/00/84/855690084.db2.gz KNACFAIXOPSACR-UHFFFAOYSA-N 0 0 406.267 4.460 20 30 HIEDRN CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000409909612 855718682 /nfs/dbraw/zinc/71/86/82/855718682.db2.gz IPWBZJSWJQYXFC-OAHLLOKOSA-N 0 0 419.934 4.030 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000409910568 855719218 /nfs/dbraw/zinc/71/92/18/855719218.db2.gz MKSCKMXAVMROQI-MSOLQXFVSA-N 0 0 400.309 4.317 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Cc2c(F)ccc(Br)c2F)C2CC2)cc1 ZINC000409944182 855738013 /nfs/dbraw/zinc/73/80/13/855738013.db2.gz XTGNGXWZUPHUTD-UHFFFAOYSA-N 0 0 405.242 4.333 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)s2)cc1 ZINC000410034085 855788615 /nfs/dbraw/zinc/78/86/15/855788615.db2.gz RIUMCYHEYYIHHQ-HZPDHXFCSA-N 0 0 406.458 4.277 20 30 HIEDRN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)no1 ZINC000410072717 855809253 /nfs/dbraw/zinc/80/92/53/855809253.db2.gz HZFUGJXUGGDANY-LJQANCHMSA-N 0 0 404.474 4.008 20 30 HIEDRN C=CC[C@@H](CO)NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000410076120 855809798 /nfs/dbraw/zinc/80/97/98/855809798.db2.gz XDJDKWBWVFZPKZ-CJTLSQLKSA-N 0 0 413.402 4.162 20 30 HIEDRN N#Cc1ccc(OCC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000410095906 855817050 /nfs/dbraw/zinc/81/70/50/855817050.db2.gz BOQSZSDUCSSZDD-UHFFFAOYSA-N 0 0 406.379 4.443 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)c1 ZINC000410101477 855821378 /nfs/dbraw/zinc/82/13/78/855821378.db2.gz NKRJWODNHZYDBI-OAQYLSRUSA-N 0 0 424.859 4.393 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000410111387 855825304 /nfs/dbraw/zinc/82/53/04/855825304.db2.gz SZCXVSSLZCHJEX-NRFANRHFSA-N 0 0 424.859 4.393 20 30 HIEDRN CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000410114982 855826860 /nfs/dbraw/zinc/82/68/60/855826860.db2.gz IPLOCCCGGWZBGJ-LJQANCHMSA-N 0 0 423.460 4.169 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1=O ZINC000410113782 855826978 /nfs/dbraw/zinc/82/69/78/855826978.db2.gz WGFIWVHMOIVNBB-INIZCTEOSA-N 0 0 420.296 4.040 20 30 HIEDRN COc1ccc(N(C(C)C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1F ZINC000410142997 855837045 /nfs/dbraw/zinc/83/70/45/855837045.db2.gz OIVCUNJRLNISGX-UHFFFAOYSA-N 0 0 416.396 4.328 20 30 HIEDRN C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410148160 855838487 /nfs/dbraw/zinc/83/84/87/855838487.db2.gz DTHMDPUNEXFPTH-INIZCTEOSA-N 0 0 416.447 4.165 20 30 HIEDRN COc1cccc(C2(F)CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)c1 ZINC000410238523 855875551 /nfs/dbraw/zinc/87/55/51/855875551.db2.gz CHMWVUUNEQTJOY-UHFFFAOYSA-N 0 0 405.429 4.323 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000410238003 855875720 /nfs/dbraw/zinc/87/57/20/855875720.db2.gz RXIJABRWELPQDW-YOEHRIQHSA-N 0 0 413.543 4.180 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2CCC(N3CCc4ccccc43)CC2)c1 ZINC000410292983 855909701 /nfs/dbraw/zinc/90/97/01/855909701.db2.gz JIGVBSOQRGPHQP-UHFFFAOYSA-N 0 0 403.526 4.161 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000410293529 855910512 /nfs/dbraw/zinc/91/05/12/855910512.db2.gz WEEXLBVQPWIGMJ-DEOSSOPVSA-N 0 0 403.526 4.015 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2cc3c(cc2Cl)CCC3=O)ccc1C(F)(F)F ZINC000410327553 855930178 /nfs/dbraw/zinc/93/01/78/855930178.db2.gz JYVLZGYUXLZJGN-UHFFFAOYSA-N 0 0 414.792 4.160 20 30 HIEDRN CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)c2C1 ZINC000410331720 855933460 /nfs/dbraw/zinc/93/34/60/855933460.db2.gz DBHSPYRLKZWSRL-UHFFFAOYSA-N 0 0 409.433 4.102 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000437397688 862739589 /nfs/dbraw/zinc/73/95/89/862739589.db2.gz UYYBVSUUQZKJDN-LBPRGKRZSA-N 0 0 423.366 4.193 20 30 HIEDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ncccc1OCC(F)(F)F ZINC000410392118 855969313 /nfs/dbraw/zinc/96/93/13/855969313.db2.gz XYRBDYNLZVOUKJ-UHFFFAOYSA-N 0 0 412.261 4.355 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437401879 862749671 /nfs/dbraw/zinc/74/96/71/862749671.db2.gz DFJOVYSUSMJNHT-AKCHCHLHSA-N 0 0 410.436 4.329 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000426050033 856073128 /nfs/dbraw/zinc/07/31/28/856073128.db2.gz KLSGGSYTPBLZFG-UONOGXRCSA-N 0 0 402.848 4.083 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)N[C@H]3CCCc4sc(Cl)cc43)CCO2)c1 ZINC000426060983 856081083 /nfs/dbraw/zinc/08/10/83/856081083.db2.gz MFHKFHHBKXATAH-DLBZAZTESA-N 0 0 401.919 4.434 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000426099461 856107234 /nfs/dbraw/zinc/10/72/34/856107234.db2.gz LPNGMSLJZAGTPS-UHFFFAOYSA-N 0 0 419.525 4.287 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000426114839 856116295 /nfs/dbraw/zinc/11/62/95/856116295.db2.gz QQIROVCQVACIJI-ZRBLBEILSA-N 0 0 401.510 4.208 20 30 HIEDRN COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426121841 856121531 /nfs/dbraw/zinc/12/15/31/856121531.db2.gz FHDKIKNXULEYMO-UHFFFAOYSA-N 0 0 405.857 4.300 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000426121112 856121691 /nfs/dbraw/zinc/12/16/91/856121691.db2.gz XKALJXFNAPWXNA-UHFFFAOYSA-N 0 0 416.481 4.200 20 30 HIEDRN Cc1cccc2[nH]c(CCC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)nc21 ZINC000426167145 856149150 /nfs/dbraw/zinc/14/91/50/856149150.db2.gz SBTRAQXGJDMCAQ-UHFFFAOYSA-N 0 0 401.495 4.362 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000426284732 856220718 /nfs/dbraw/zinc/22/07/18/856220718.db2.gz ACLKOSKOWLBRKD-UHFFFAOYSA-N 0 0 400.916 4.385 20 30 HIEDRN C=CCN(C(=O)[C@H](C)c1ccc(Cl)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426288209 856222650 /nfs/dbraw/zinc/22/26/50/856222650.db2.gz AYSNCZMRKDEQLW-ZIAGYGMSSA-N 0 0 401.923 4.257 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@@H]1CCCOCC1)c1ccc2c(c1)OCCO2 ZINC000426316784 856241240 /nfs/dbraw/zinc/24/12/40/856241240.db2.gz JMFSKWBMUWVPAA-LJQANCHMSA-N 0 0 423.509 4.373 20 30 HIEDRN O=C([C@H]1Cc2ccccc2CN1CC#Cc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000426357677 856258354 /nfs/dbraw/zinc/25/83/54/856258354.db2.gz RUFTVJNXBDIDKM-JOCHJYFZSA-N 0 0 412.455 4.106 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCC(OC)CC3)sc2C1 ZINC000426401123 856276034 /nfs/dbraw/zinc/27/60/34/856276034.db2.gz NIWSXUBCBHURDI-OAHLLOKOSA-N 0 0 403.592 4.210 20 30 HIEDRN N#Cc1cccc(NCC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)c1 ZINC000426438562 856291171 /nfs/dbraw/zinc/29/11/71/856291171.db2.gz DOOKVQZJUSPBRS-UHFFFAOYSA-N 0 0 421.504 4.198 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426442179 856291947 /nfs/dbraw/zinc/29/19/47/856291947.db2.gz JHPQKJYOWZKRMM-QGZVFWFLSA-N 0 0 418.335 4.061 20 30 HIEDRN N#CCCNC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC000426450226 856296804 /nfs/dbraw/zinc/29/68/04/856296804.db2.gz XERZPXRYQQIHLG-KRWDZBQOSA-N 0 0 423.369 4.367 20 30 HIEDRN N#Cc1cccc(NCC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 ZINC000426458425 856300605 /nfs/dbraw/zinc/30/06/05/856300605.db2.gz IMWVGZQEQOXKRH-GOSISDBHSA-N 0 0 406.486 4.427 20 30 HIEDRN CO[C@@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 ZINC000426461048 856302376 /nfs/dbraw/zinc/30/23/76/856302376.db2.gz QNCCFCXQUGONDU-DHIUTWEWSA-N 0 0 402.450 4.040 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000426459898 856302460 /nfs/dbraw/zinc/30/24/60/856302460.db2.gz MAJMMBCAUUDSQX-UHFFFAOYSA-N 0 0 403.467 4.030 20 30 HIEDRN O=C(c1cc2occc2s1)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426466752 856305882 /nfs/dbraw/zinc/30/58/82/856305882.db2.gz AEIAFONDWROSIJ-UHFFFAOYSA-N 0 0 418.440 4.323 20 30 HIEDRN CS[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426511391 856327283 /nfs/dbraw/zinc/32/72/83/856327283.db2.gz RNNAUFGXBSROCZ-VQIMIIECSA-N 0 0 409.511 4.079 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NC2(c3cccc(F)c3)CC2)ccc1Oc1ccccc1 ZINC000426537564 856339112 /nfs/dbraw/zinc/33/91/12/856339112.db2.gz IGZIWVYUCXRJNP-UHFFFAOYSA-N 0 0 415.424 4.234 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3cccc(F)c3F)CCCC2)cc1Cl ZINC000426547024 856342377 /nfs/dbraw/zinc/34/23/77/856342377.db2.gz CTAAZCPFGWVRRQ-UHFFFAOYSA-N 0 0 417.843 4.057 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3cc(C4CCCC4)[nH]n3)cc2)cc1 ZINC000426575661 856355317 /nfs/dbraw/zinc/35/53/17/856355317.db2.gz FPQZLBOPMRHRJO-UHFFFAOYSA-N 0 0 415.453 4.308 20 30 HIEDRN CC(C)(C)Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n[nH]1 ZINC000426581961 856358470 /nfs/dbraw/zinc/35/84/70/856358470.db2.gz TWZMIASKONIHGK-UHFFFAOYSA-N 0 0 417.469 4.239 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3cc(C4CCCC4)[nH]n3)cc2)c1 ZINC000426591537 856362708 /nfs/dbraw/zinc/36/27/08/856362708.db2.gz RLOPIHDISQJOEV-UHFFFAOYSA-N 0 0 415.453 4.308 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426614265 856374384 /nfs/dbraw/zinc/37/43/84/856374384.db2.gz ABMYWNCXVYEDHU-INIZCTEOSA-N 0 0 420.376 4.487 20 30 HIEDRN Cc1ccccc1C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000426638352 856387577 /nfs/dbraw/zinc/38/75/77/856387577.db2.gz IZBHKOGDPPYIHO-DEOSSOPVSA-N 0 0 414.505 4.479 20 30 HIEDRN CCc1nc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)ccc1C(=O)[O-] ZINC000426648446 856392169 /nfs/dbraw/zinc/39/21/69/856392169.db2.gz RBXLXIRSBLNKEA-UHFFFAOYSA-N 0 0 401.466 4.083 20 30 HIEDRN Cc1nc(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)sc1C(=O)[O-] ZINC000426704389 856422208 /nfs/dbraw/zinc/42/22/08/856422208.db2.gz KLLNPNWZGBMZNW-UHFFFAOYSA-N 0 0 421.522 4.323 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)ccc1Oc1ccccc1 ZINC000426713360 856428609 /nfs/dbraw/zinc/42/86/09/856428609.db2.gz FLOALIOUCHSOCY-LJQANCHMSA-N 0 0 401.422 4.076 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1OCC ZINC000426729407 856438203 /nfs/dbraw/zinc/43/82/03/856438203.db2.gz CNSCSAQYKPSYIP-QFBILLFUSA-N 0 0 412.324 4.146 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000426779755 856474377 /nfs/dbraw/zinc/47/43/77/856474377.db2.gz LBAQSTFUYCKHLA-KRWDZBQOSA-N 0 0 424.266 4.077 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])cc1OC ZINC000426828751 856503154 /nfs/dbraw/zinc/50/31/54/856503154.db2.gz MKAWFOKEQQLNCU-CQSZACIVSA-N 0 0 400.313 4.002 20 30 HIEDRN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426846443 856510953 /nfs/dbraw/zinc/51/09/53/856510953.db2.gz VSPIJVDLBMPSAM-OAQYLSRUSA-N 0 0 416.872 4.273 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000437433003 862805513 /nfs/dbraw/zinc/80/55/13/862805513.db2.gz IYJANPXPEGJDIW-UHFFFAOYSA-N 0 0 401.441 4.173 20 30 HIEDRN CN(CC(=O)N(CCC#N)c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426876519 856523232 /nfs/dbraw/zinc/52/32/32/856523232.db2.gz UQYJEFDERQTTJA-QHCPKHFHSA-N 0 0 419.916 4.098 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O)c1ccccc1 ZINC000426893949 856530100 /nfs/dbraw/zinc/53/01/00/856530100.db2.gz LQDGWTMKLXCZKV-FCHUYYIVSA-N 0 0 423.557 4.244 20 30 HIEDRN COc1ccc(CN(Cc2ccccc2)C(=O)C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000437436138 862807141 /nfs/dbraw/zinc/80/71/41/862807141.db2.gz AHRDGYXYPKPKMN-UHFFFAOYSA-N 0 0 413.477 4.043 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1Oc1ccccc1 ZINC000426950697 856559530 /nfs/dbraw/zinc/55/95/30/856559530.db2.gz HALBFOLYEPBPDV-QPTUXGOLSA-N 0 0 423.472 4.134 20 30 HIEDRN C[C@H](CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1nccs1 ZINC000426972211 856571713 /nfs/dbraw/zinc/57/17/13/856571713.db2.gz FIRLTICKEVMSEX-OAHLLOKOSA-N 0 0 420.494 4.008 20 30 HIEDRN COc1ccccc1[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccco1 ZINC000426979294 856576336 /nfs/dbraw/zinc/57/63/36/856576336.db2.gz 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C=CCN(CCc1ccco1)C(=O)Nc1cc(Br)c(OC)cc1OC ZINC000429634830 857810563 /nfs/dbraw/zinc/81/05/63/857810563.db2.gz MIXNQDFDFJZKHB-UHFFFAOYSA-N 0 0 409.280 4.322 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1cc(OC(F)F)n(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000429636428 857811641 /nfs/dbraw/zinc/81/16/41/857811641.db2.gz SCKWUPQZPWGOLQ-ZDUSSCGKSA-N 0 0 418.366 4.869 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000429661807 857825011 /nfs/dbraw/zinc/82/50/11/857825011.db2.gz XQSSACOHGGDLCP-UHFFFAOYSA-N 0 0 421.291 4.353 20 30 HIEDRN CC(C)NC(=O)Nc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000429732195 857854462 /nfs/dbraw/zinc/85/44/62/857854462.db2.gz OWBKBYYOGJUVRK-UHFFFAOYSA-N 0 0 416.485 4.246 20 30 HIEDRN N#Cc1cccc(CNC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1 ZINC000429754680 857872321 /nfs/dbraw/zinc/87/23/21/857872321.db2.gz VKDLUGAVKIGPJJ-UHFFFAOYSA-N 0 0 400.269 4.432 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000429758641 857874474 /nfs/dbraw/zinc/87/44/74/857874474.db2.gz 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C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3ncccc3Cl)CC2)c1 ZINC000429943954 857960751 /nfs/dbraw/zinc/96/07/51/857960751.db2.gz MXBCIGGYANJGRO-UHFFFAOYSA-N 0 0 413.905 4.035 20 30 HIEDRN CCc1cccc2c(CCNC(=O)c3cnn(CCC#N)c3-c3ccccc3)c[nH]c21 ZINC000429989403 857985594 /nfs/dbraw/zinc/98/55/94/857985594.db2.gz RYJVYWIILWJMOP-UHFFFAOYSA-N 0 0 411.509 4.480 20 30 HIEDRN Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)Cc3cccc(C#N)c3)cs2)c1 ZINC000430036928 858006211 /nfs/dbraw/zinc/00/62/11/858006211.db2.gz SUPDNYQZUZHSRM-UHFFFAOYSA-N 0 0 404.539 4.445 20 30 HIEDRN Cc1ccccc1-n1c2nnc(S[C@@H]3CC[C@@H](C#N)C3)n2c2ccccc2c1=O ZINC000430115402 858037512 /nfs/dbraw/zinc/03/75/12/858037512.db2.gz GDNZUSYWPRYQAB-HZPDHXFCSA-N 0 0 401.495 4.126 20 30 HIEDRN Cc1ccccc1-n1c2nnc(S[C@H]3CC[C@@H](C#N)C3)n2c2ccccc2c1=O ZINC000430115400 858038243 /nfs/dbraw/zinc/03/82/43/858038243.db2.gz GDNZUSYWPRYQAB-CVEARBPZSA-N 0 0 401.495 4.126 20 30 HIEDRN O=C(NCc1cccc(OCC(F)(F)F)c1)NCc1c(F)cc(F)c(F)c1F ZINC000430180625 858069413 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CCFOXBWCTHKRLH-UHFFFAOYSA-N 0 0 423.476 4.338 20 30 HIEDRN CC1(C)CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000430885782 858354464 /nfs/dbraw/zinc/35/44/64/858354464.db2.gz OVDBRLSLVSAXQM-RUZDIDTESA-N 0 0 419.525 4.095 20 30 HIEDRN N#CCC1(CNC(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)CC1 ZINC000430891424 858356375 /nfs/dbraw/zinc/35/63/75/858356375.db2.gz ZXUOXRLOPURIGC-CYBMUJFWSA-N 0 0 404.230 4.436 20 30 HIEDRN C[C@H]1CCN(c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)ccn2)C1 ZINC000437672192 863014783 /nfs/dbraw/zinc/01/47/83/863014783.db2.gz JFZWDFRSZDWUAL-HNNXBMFYSA-N 0 0 402.420 4.004 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccc(Br)s2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430928166 858372856 /nfs/dbraw/zinc/37/28/56/858372856.db2.gz STWPAWOGXIDYQA-HNNXBMFYSA-N 0 0 405.317 4.072 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2ccc(F)cc2)[C@H]2CCCO2)C(=O)[C@H]1Cc1ccccc1 ZINC000430991851 858395774 /nfs/dbraw/zinc/39/57/74/858395774.db2.gz RBHLEAVSGZQECZ-YPAWHYETSA-N 0 0 408.473 4.107 20 30 HIEDRN Cc1ccc(CCCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)s1 ZINC000431028774 858409538 /nfs/dbraw/zinc/40/95/38/858409538.db2.gz UMMZGTYPUZUDDV-UHFFFAOYSA-N 0 0 421.570 4.076 20 30 HIEDRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)NCC1(CC#N)CC1)CC2 ZINC000431122407 858456648 /nfs/dbraw/zinc/45/66/48/858456648.db2.gz ZVMNSTRNXAQHJV-QFIPXVFZSA-N 0 0 405.498 4.055 20 30 HIEDRN C=CCN1C(=O)N(CCCc2nc3c(s2)CCCC3)C(=O)[C@H]1Cc1ccccc1 ZINC000431136160 858463964 /nfs/dbraw/zinc/46/39/64/858463964.db2.gz AMZZHGQVNBOMEL-LJQANCHMSA-N 0 0 409.555 4.016 20 30 HIEDRN COc1cc(C(=O)NCC2(CC#N)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431148147 858470585 /nfs/dbraw/zinc/47/05/85/858470585.db2.gz FQWHMBRGAOKVOE-UHFFFAOYSA-N 0 0 415.833 4.473 20 30 HIEDRN N#CCC1(CNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 ZINC000431156558 858475614 /nfs/dbraw/zinc/47/56/14/858475614.db2.gz LVAKGXQFJQTFES-UHFFFAOYSA-N 0 0 412.287 4.125 20 30 HIEDRN Cc1ccc(SC2(C(=O)N3CCN(c4ncccc4C#N)CC3)CCCC2)cc1 ZINC000431166017 858481792 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ZINC000467536014 881357355 /nfs/dbraw/zinc/35/73/55/881357355.db2.gz CSTXBAXRZMXKBZ-QFIPXVFZSA-N 0 0 424.547 4.226 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000432014520 858927084 /nfs/dbraw/zinc/92/70/84/858927084.db2.gz OWLWTEFSHHQCNI-UHFFFAOYSA-N 0 0 409.877 4.151 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@]2(CCOC2)O1 ZINC000432059816 858958356 /nfs/dbraw/zinc/95/83/56/858958356.db2.gz BQKREZIFOJUTPV-CVDCTZTESA-N 0 0 407.470 4.152 20 30 HIEDRN C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@]2(CCCOC2)O1 ZINC000432060899 858960140 /nfs/dbraw/zinc/96/01/40/858960140.db2.gz LDFPDWSUJBXUNO-GAJHUEQPSA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@]2(CCOC2)O1 ZINC000432063654 858961385 /nfs/dbraw/zinc/96/13/85/858961385.db2.gz OSFBFJAMAUERRP-WMZHIEFXSA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CO)CC3CCC3)cc2Cl)c1 ZINC000432073104 858969061 /nfs/dbraw/zinc/96/90/61/858969061.db2.gz BJPMUCLRHHITDJ-IBGZPJMESA-N 0 0 413.905 4.463 20 30 HIEDRN CNC(=O)COc1ccc(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1 ZINC000432078821 858974171 /nfs/dbraw/zinc/97/41/71/858974171.db2.gz MBQMOEAMFPLVCG-HNNXBMFYSA-N 0 0 412.515 4.158 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1 ZINC000432091653 858982967 /nfs/dbraw/zinc/98/29/67/858982967.db2.gz GEYPUROFBIGGLZ-DLBZAZTESA-N 0 0 409.396 4.023 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000432092054 858983528 /nfs/dbraw/zinc/98/35/28/858983528.db2.gz XAIZDYXFWVWELN-ZWKOTPCHSA-N 0 0 422.554 4.455 20 30 HIEDRN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432152167 859017798 /nfs/dbraw/zinc/01/77/98/859017798.db2.gz IQLMXLTVEKEBGW-QGZVFWFLSA-N 0 0 420.391 4.424 20 30 HIEDRN CCO[C@H]1C[C@@H](N(C)C(=O)CCCC(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000432184221 859036236 /nfs/dbraw/zinc/03/62/36/859036236.db2.gz FACONWOGZLGIPD-RTWAWAEBSA-N 0 0 411.546 4.253 20 30 HIEDRN CCO[C@H]1C[C@H](N(C)C(=O)CCCC(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000432184222 859036440 /nfs/dbraw/zinc/03/64/40/859036440.db2.gz FACONWOGZLGIPD-SFTDATJTSA-N 0 0 411.546 4.253 20 30 HIEDRN C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C1=O ZINC000432209354 859047189 /nfs/dbraw/zinc/04/71/89/859047189.db2.gz BEICPHXCQZCMDQ-IAGOWNOFSA-N 0 0 408.351 4.477 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000432262162 859074604 /nfs/dbraw/zinc/07/46/04/859074604.db2.gz LKBLWIHXWWELDJ-HNNXBMFYSA-N 0 0 402.825 4.226 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000432265974 859074955 /nfs/dbraw/zinc/07/49/55/859074955.db2.gz CNRUWDNDWFWDJC-GOSISDBHSA-N 0 0 406.429 4.493 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c(Cl)c1 ZINC000432265539 859075309 /nfs/dbraw/zinc/07/53/09/859075309.db2.gz UVXKKNYXYZGSJN-CYBMUJFWSA-N 0 0 400.809 4.457 20 30 HIEDRN CCC[C@@H](NC(=O)Nc1cccc(C#N)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000432291624 859088253 /nfs/dbraw/zinc/08/82/53/859088253.db2.gz MCDVDPDYQAFNMD-JOCHJYFZSA-N 0 0 419.529 4.396 20 30 HIEDRN CN(C(=O)Nc1ccccc1C#Cc1ccccc1)C1CCN(c2cccnn2)CC1 ZINC000467559809 881382854 /nfs/dbraw/zinc/38/28/54/881382854.db2.gz LIHVSDQPAVMVQZ-UHFFFAOYSA-N 0 0 411.509 4.009 20 30 HIEDRN Cc1occc1C(=O)Nc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)ccc1F ZINC000432396653 859144079 /nfs/dbraw/zinc/14/40/79/859144079.db2.gz FBZYBIWJEZIVPI-UHFFFAOYSA-N 0 0 406.417 4.169 20 30 HIEDRN CCOc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000432413251 859153269 /nfs/dbraw/zinc/15/32/69/859153269.db2.gz LPKFYZDBMIWFFL-AWEZNQCLSA-N 0 0 401.894 4.078 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)n1 ZINC000432438902 859165338 /nfs/dbraw/zinc/16/53/38/859165338.db2.gz DKNVJFPHMIHKBK-UHFFFAOYSA-N 0 0 421.863 4.858 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(=O)[nH]c2C)cc1 ZINC000432487964 859189417 /nfs/dbraw/zinc/18/94/17/859189417.db2.gz BWMLFUJJOZHNJK-UHFFFAOYSA-N 0 0 418.453 4.043 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432508389 859200898 /nfs/dbraw/zinc/20/08/98/859200898.db2.gz CFHGLHPQXFOFMG-QZTJIDSGSA-N 0 0 406.530 4.138 20 30 HIEDRN N#Cc1ccc([C@@H](Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)C(N)=O)cc1 ZINC000432519186 859205615 /nfs/dbraw/zinc/20/56/15/859205615.db2.gz ZHIMKDHHAIYWMY-QGZVFWFLSA-N 0 0 414.252 4.086 20 30 HIEDRN CCCc1c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cnn1-c1ccc(C)cc1 ZINC000432549569 859221280 /nfs/dbraw/zinc/22/12/80/859221280.db2.gz LTHMOUUZBJIWPJ-UHFFFAOYSA-N 0 0 417.513 4.294 20 30 HIEDRN COc1ccc2cc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)ccc2c1 ZINC000432577598 859235479 /nfs/dbraw/zinc/23/54/79/859235479.db2.gz HBSQHVWZYJHPTF-UHFFFAOYSA-N 0 0 401.466 4.145 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1OCC(F)(F)F ZINC000432589778 859242766 /nfs/dbraw/zinc/24/27/66/859242766.db2.gz WWOVBYQCICJVLI-UHFFFAOYSA-N 0 0 405.376 4.247 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432601170 859248875 /nfs/dbraw/zinc/24/88/75/859248875.db2.gz LRBBWDFUKDEBSO-KSSFIOAISA-N 0 0 404.495 4.284 20 30 HIEDRN Cc1cc(C)n(-c2ccc(-c3noc(-c4cc(-c5cccc(C#N)c5)no4)n3)cn2)n1 ZINC000432668060 859281349 /nfs/dbraw/zinc/28/13/49/859281349.db2.gz ILBXZMIWTIWRDJ-UHFFFAOYSA-N 0 0 409.409 4.128 20 30 HIEDRN CCc1c(C)sc(NC(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc32)c1C#N ZINC000432675417 859285596 /nfs/dbraw/zinc/28/55/96/859285596.db2.gz BGVTWZMUPZEVDE-INIZCTEOSA-N 0 0 411.556 4.411 20 30 HIEDRN CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3ccccc3C#N)c2)[nH]c1=O ZINC000432696751 859300899 /nfs/dbraw/zinc/30/08/99/859300899.db2.gz QBENPQDKMHMKLC-LFIBNONCSA-N 0 0 415.449 4.370 20 30 HIEDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000432755828 859336731 /nfs/dbraw/zinc/33/67/31/859336731.db2.gz FIEZQCHRIVTVGQ-NRFANRHFSA-N 0 0 401.466 4.418 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000432765477 859345389 /nfs/dbraw/zinc/34/53/89/859345389.db2.gz ZGEIDCACSOFOIV-UHFFFAOYSA-N 0 0 412.493 4.236 20 30 HIEDRN CC(C)OCc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432782735 859358530 /nfs/dbraw/zinc/35/85/30/859358530.db2.gz YNRAZDBNSAJRNT-UHFFFAOYSA-N 0 0 409.305 4.047 20 30 HIEDRN COc1ccncc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000432787583 859359547 /nfs/dbraw/zinc/35/95/47/859359547.db2.gz HOAWTHFSUQRKPD-UHFFFAOYSA-N 0 0 406.417 4.002 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000432830684 859378089 /nfs/dbraw/zinc/37/80/89/859378089.db2.gz GWCFXSYAULADAS-FXAWDEMLSA-N 0 0 415.415 4.434 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(c3ncc(Cl)c(C)c3C#N)CC2)n1 ZINC000432846523 859386477 /nfs/dbraw/zinc/38/64/77/859386477.db2.gz OQIJTNJGTAEDPH-UHFFFAOYSA-N 0 0 409.877 4.358 20 30 HIEDRN Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000432848932 859388059 /nfs/dbraw/zinc/38/80/59/859388059.db2.gz AZPHLYIOWVZHBE-UHFFFAOYSA-N 0 0 413.362 4.290 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432848863 859388075 /nfs/dbraw/zinc/38/80/75/859388075.db2.gz AQFXXPUOEGGLFG-NRFANRHFSA-N 0 0 423.467 4.182 20 30 HIEDRN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432854123 859390366 /nfs/dbraw/zinc/39/03/66/859390366.db2.gz WXFSSFFFGDVINL-HNNXBMFYSA-N 0 0 411.346 4.080 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000467609152 881415757 /nfs/dbraw/zinc/41/57/57/881415757.db2.gz VNRQXAAVUSKMFG-UHFFFAOYSA-N 0 0 411.412 4.437 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000432868705 859397287 /nfs/dbraw/zinc/39/72/87/859397287.db2.gz WVOGAARXAWHLBO-MRXNPFEDSA-N 0 0 410.547 4.004 20 30 HIEDRN CN(Cc1csc2ccccc12)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432873489 859400852 /nfs/dbraw/zinc/40/08/52/859400852.db2.gz BAHKOTAJTGGDFQ-UHFFFAOYSA-N 0 0 421.341 4.356 20 30 HIEDRN COc1ccc([C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)c2ccc(F)cc2)cc1 ZINC000432894987 859413674 /nfs/dbraw/zinc/41/36/74/859413674.db2.gz YWBMJVAUKSBYOE-QHCPKHFHSA-N 0 0 403.457 4.291 20 30 HIEDRN C=CCC[C@@H](NC(=O)NCCc1cccc(C(N)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000432898658 859416226 /nfs/dbraw/zinc/41/62/26/859416226.db2.gz JFKCQZXXEVPNDM-LJQANCHMSA-N 0 0 419.447 4.354 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CC[S@@](=O)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000432899044 859416356 /nfs/dbraw/zinc/41/63/56/859416356.db2.gz KMNISNNLTWVALM-SQDTZKNQSA-N 0 0 402.482 4.265 20 30 HIEDRN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000432952214 859444997 /nfs/dbraw/zinc/44/49/97/859444997.db2.gz WQYUYIIVXMKJJW-GOSISDBHSA-N 0 0 411.527 4.095 20 30 HIEDRN N#CCCC[C@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000433016794 859479812 /nfs/dbraw/zinc/47/98/12/859479812.db2.gz URRGVVYSJLXDGW-SFHVURJKSA-N 0 0 400.408 4.206 20 30 HIEDRN CCc1ccc([C@H]2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)C2)cc1 ZINC000433056647 859504880 /nfs/dbraw/zinc/50/48/80/859504880.db2.gz DKYQZSAKBTZHKS-QFIPXVFZSA-N 0 0 422.573 4.004 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H](c3ccccc3)C2)c1C#N ZINC000433076283 859512078 /nfs/dbraw/zinc/51/20/78/859512078.db2.gz NHHZFAPWROECBJ-OAQYLSRUSA-N 0 0 416.525 4.436 20 30 HIEDRN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000433137869 859535400 /nfs/dbraw/zinc/53/54/00/859535400.db2.gz VKMMNPPLZDWSFC-UZUQRXQVSA-N 0 0 423.538 4.287 20 30 HIEDRN Cc1cnc(C2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC000433138156 859536464 /nfs/dbraw/zinc/53/64/64/859536464.db2.gz RBMNCGDFVPVQQK-ZDUSSCGKSA-N 0 0 400.573 4.080 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)ccn1 ZINC000433138025 859536586 /nfs/dbraw/zinc/53/65/86/859536586.db2.gz VVSNYDNLBILCGN-GFCCVEGCSA-N 0 0 405.321 4.418 20 30 HIEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433191949 859560881 /nfs/dbraw/zinc/56/08/81/859560881.db2.gz XCMUFGBIZJAEOV-SFHVURJKSA-N 0 0 402.248 4.002 20 30 HIEDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433217791 859572956 /nfs/dbraw/zinc/57/29/56/859572956.db2.gz DGHHBEIRBRHQPA-INIZCTEOSA-N 0 0 406.404 4.442 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000433241073 859585470 /nfs/dbraw/zinc/58/54/70/859585470.db2.gz ASQRFTPMXRWDGF-OAQYLSRUSA-N 0 0 400.438 4.431 20 30 HIEDRN COC(=O)COc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000433255773 859595161 /nfs/dbraw/zinc/59/51/61/859595161.db2.gz IJDYCKFRILAXBQ-GOSISDBHSA-N 0 0 415.877 4.448 20 30 HIEDRN COc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1OC(C)C ZINC000467644657 881441783 /nfs/dbraw/zinc/44/17/83/881441783.db2.gz CQPBZSSNIIXQTE-UHFFFAOYSA-N 0 0 409.486 4.429 20 30 HIEDRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)cc1Cl ZINC000433301455 859625443 /nfs/dbraw/zinc/62/54/43/859625443.db2.gz VQJHVCYYAWNHDH-LJQANCHMSA-N 0 0 424.932 4.097 20 30 HIEDRN COc1cc(CN[C@](C)(c2noc(C)n2)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000433321088 859639391 /nfs/dbraw/zinc/63/93/91/859639391.db2.gz WSNGLGSADYJOCW-DEOSSOPVSA-N 0 0 418.497 4.252 20 30 HIEDRN N#CCCn1cc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccncc2)n1 ZINC000433339441 859653433 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CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1cc(C#N)cn1C ZINC000433527717 859757865 /nfs/dbraw/zinc/75/78/65/859757865.db2.gz HNSQDYPXTIHGCX-UHFFFAOYSA-N 0 0 409.467 4.063 20 30 HIEDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000433577130 859789996 /nfs/dbraw/zinc/78/99/96/859789996.db2.gz YHNJSERBCUGISJ-MWTRTKDXSA-N 0 0 402.450 4.194 20 30 HIEDRN N#CCCN(c1ccccc1)S(=O)(=O)c1cc(Br)sc1Cl ZINC000433617381 859811464 /nfs/dbraw/zinc/81/14/64/859811464.db2.gz KZEILRABMLQTIK-UHFFFAOYSA-N 0 0 405.726 4.273 20 30 HIEDRN C=CCN(C(=O)Nc1ccc(Cl)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000433630134 859817397 /nfs/dbraw/zinc/81/73/97/859817397.db2.gz DDWNVJMZUHGVGP-CQSZACIVSA-N 0 0 412.881 4.105 20 30 HIEDRN CCn1cccc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)c1=O ZINC000433680186 859836267 /nfs/dbraw/zinc/83/62/67/859836267.db2.gz YKARCOSMIGNHKQ-UHFFFAOYSA-N 0 0 407.857 4.116 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)C1=O ZINC000433693285 859839358 /nfs/dbraw/zinc/83/93/58/859839358.db2.gz CIVODLPGEBTJRM-BEFAXECRSA-N 0 0 406.511 4.132 20 30 HIEDRN CCC(C)(C)NC(=O)c1ccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000433694858 859840289 /nfs/dbraw/zinc/84/02/89/859840289.db2.gz QQZKTDGYUXGIIC-FQEVSTJZSA-N 0 0 424.932 4.347 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cc(Cl)ccc2OCC(F)(F)F)C1=O ZINC000433695107 859840334 /nfs/dbraw/zinc/84/03/34/859840334.db2.gz TZXXAUKOFBAQJE-GFCCVEGCSA-N 0 0 415.824 4.432 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433698164 859841693 /nfs/dbraw/zinc/84/16/93/859841693.db2.gz UINZKMDOCAAIGY-OXJNMPFZSA-N 0 0 422.554 4.160 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3ccnc(Oc4ccc(F)cc4F)c3)C2)cc1 ZINC000433752375 859875319 /nfs/dbraw/zinc/87/53/19/859875319.db2.gz XUSSNFQLWVIXTJ-UHFFFAOYSA-N 0 0 422.391 4.319 20 30 HIEDRN Cc1nc(-c2ccccc2NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1 ZINC000433783694 859891729 /nfs/dbraw/zinc/89/17/29/859891729.db2.gz RDYJDZLQMSOCOF-UHFFFAOYSA-N 0 0 421.501 4.483 20 30 HIEDRN C=CC[C@H](CC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000467682208 881474358 /nfs/dbraw/zinc/47/43/58/881474358.db2.gz WIVNVUOFJUMNQK-UGKGYDQZSA-N 0 0 407.489 4.119 20 30 HIEDRN CC1(C)CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCS1 ZINC000433831080 859920090 /nfs/dbraw/zinc/92/00/90/859920090.db2.gz BSTVHBASZJQRLV-UHFFFAOYSA-N 0 0 400.548 4.019 20 30 HIEDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433847261 859930807 /nfs/dbraw/zinc/93/08/07/859930807.db2.gz DHIXKVWEWAKKLP-KRWDZBQOSA-N 0 0 416.529 4.406 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cn1)c1cccc(C(F)(F)F)c1 ZINC000433862376 859940612 /nfs/dbraw/zinc/94/06/12/859940612.db2.gz LCUVMTSAJRIOKC-CQSZACIVSA-N 0 0 403.282 4.036 20 30 HIEDRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c(OCCCC(C)C)c1 ZINC000433883600 859950574 /nfs/dbraw/zinc/95/05/74/859950574.db2.gz GDEGXNVGYQNBRT-UHFFFAOYSA-N 0 0 411.477 4.076 20 30 HIEDRN CC(C)(CNC(=O)NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000433893395 859954269 /nfs/dbraw/zinc/95/42/69/859954269.db2.gz GATNZCOQRLQPOA-UHFFFAOYSA-N 0 0 418.353 4.199 20 30 HIEDRN CC1(C)CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000433909403 859963503 /nfs/dbraw/zinc/96/35/03/859963503.db2.gz STRKOZRQCYQFSL-SFHVURJKSA-N 0 0 415.415 4.168 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C#N)s1 ZINC000433977305 860012223 /nfs/dbraw/zinc/01/22/23/860012223.db2.gz TWXKZLFXTNJAJR-UHFFFAOYSA-N 0 0 408.389 4.274 20 30 HIEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000433981142 860014769 /nfs/dbraw/zinc/01/47/69/860014769.db2.gz LZXQTXJHKVYVOM-CQSZACIVSA-N 0 0 405.267 4.294 20 30 HIEDRN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(F)cc2C#N)nn1-c1ccccc1 ZINC000433986445 860017589 /nfs/dbraw/zinc/01/75/89/860017589.db2.gz UGBQOUYUFBXKGB-UHFFFAOYSA-N 0 0 406.417 4.091 20 30 HIEDRN CCc1nc(C(=O)Nc2ccc(F)cc2C#N)nn1-c1c(Cl)cccc1Cl ZINC000433992284 860023080 /nfs/dbraw/zinc/02/30/80/860023080.db2.gz HZNVYNNTUZJVKJ-UHFFFAOYSA-N 0 0 404.232 4.400 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc1F ZINC000434002214 860030797 /nfs/dbraw/zinc/03/07/97/860030797.db2.gz HWRMRBWXBPKUAP-HNNXBMFYSA-N 0 0 409.244 4.485 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)cc2)nc1 ZINC000434004832 860032708 /nfs/dbraw/zinc/03/27/08/860032708.db2.gz YORSBJGFIGGVTM-FQEVSTJZSA-N 0 0 412.493 4.392 20 30 HIEDRN CC1(C)CCCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@H]1C#N ZINC000434021266 860045402 /nfs/dbraw/zinc/04/54/02/860045402.db2.gz JJLHVASCOIECEK-NRFANRHFSA-N 0 0 402.498 4.156 20 30 HIEDRN CC1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)[C@@H]1C#N ZINC000434028592 860049675 /nfs/dbraw/zinc/04/96/75/860049675.db2.gz VPBCXNHNDWPFBA-CRAIPNDOSA-N 0 0 422.356 4.386 20 30 HIEDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CSc2ccc(C#N)cc2)n1 ZINC000434060715 860072171 /nfs/dbraw/zinc/07/21/71/860072171.db2.gz BPWUDKJJYILUTE-UHFFFAOYSA-N 0 0 402.523 4.286 20 30 HIEDRN N#Cc1c(NC(=O)CCSc2ccnc3cc(Cl)ccc32)nc2n1CCS2 ZINC000434119364 860120010 /nfs/dbraw/zinc/12/00/10/860120010.db2.gz NRGLJQQMRWIQTQ-UHFFFAOYSA-N 0 0 415.931 4.183 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccn(CCc4ccncc4)n3)c2)cc1 ZINC000434158952 860154153 /nfs/dbraw/zinc/15/41/53/860154153.db2.gz WGMBOYMKVOVXQT-UHFFFAOYSA-N 0 0 424.464 4.829 20 30 HIEDRN Cc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1C(=O)N(C)C ZINC000434168397 860162876 /nfs/dbraw/zinc/16/28/76/860162876.db2.gz DEWYCLNIOHAYHK-UHFFFAOYSA-N 0 0 413.477 4.400 20 30 HIEDRN COc1ccc([C@@H](CO)N(C)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 ZINC000434210180 860196630 /nfs/dbraw/zinc/19/66/30/860196630.db2.gz UHRZZOHVKLWELC-XMMPIXPASA-N 0 0 400.478 4.292 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000434229541 860214542 /nfs/dbraw/zinc/21/45/42/860214542.db2.gz SNFVCPKCIQSKKY-UHFFFAOYSA-N 0 0 404.392 4.484 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c1 ZINC000467716429 881514160 /nfs/dbraw/zinc/51/41/60/881514160.db2.gz WDUJFHYFUBZRAI-UHFFFAOYSA-N 0 0 420.375 4.651 20 30 HIEDRN C=CCC[C@@H](NC(=O)N(C)[C@H](C)CN1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000434288012 860254616 /nfs/dbraw/zinc/25/46/16/860254616.db2.gz PMTVGSFDNPHRFL-VQIMIIECSA-N 0 0 413.484 4.075 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1C ZINC000434289845 860255751 /nfs/dbraw/zinc/25/57/51/860255751.db2.gz WFADCFGDPMIAAZ-KRWDZBQOSA-N 0 0 404.470 4.065 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000434332978 860294237 /nfs/dbraw/zinc/29/42/37/860294237.db2.gz IIVJNBNIXPFENT-OAQYLSRUSA-N 0 0 422.550 4.312 20 30 HIEDRN CCc1n[nH]c(=O)c(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1CC ZINC000434344423 860301813 /nfs/dbraw/zinc/30/18/13/860301813.db2.gz LBOBGRIKQUQLSF-UHFFFAOYSA-N 0 0 418.522 4.260 20 30 HIEDRN C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21 ZINC000434416476 860340843 /nfs/dbraw/zinc/34/08/43/860340843.db2.gz OUNACBXHGLTNHX-KRWDZBQOSA-N 0 0 411.461 4.226 20 30 HIEDRN CC1(C)CCCN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)[C@@H]1C#N ZINC000434431487 860348521 /nfs/dbraw/zinc/34/85/21/860348521.db2.gz HDFYZJHOHVZEAL-NHCUHLMSSA-N 0 0 420.513 4.119 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)c2)cc1 ZINC000434499962 860374020 /nfs/dbraw/zinc/37/40/20/860374020.db2.gz OVQJXNDCTCVKPJ-OAQYLSRUSA-N 0 0 407.539 4.476 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n(C2CCOCC2)n1 ZINC000434551728 860396914 /nfs/dbraw/zinc/39/69/14/860396914.db2.gz JRVNCYVFFAMKBM-UHFFFAOYSA-N 0 0 401.470 4.411 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2CCC3(CC3)CC2)cc1F ZINC000434595989 860418717 /nfs/dbraw/zinc/41/87/17/860418717.db2.gz JCJVFALACWUPPW-UHFFFAOYSA-N 0 0 407.445 4.267 20 30 HIEDRN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000434626289 860438310 /nfs/dbraw/zinc/43/83/10/860438310.db2.gz HKVUQYVPZHGCFQ-UHFFFAOYSA-N 0 0 423.494 4.480 20 30 HIEDRN COCCCN1C(=O)N=NC1SCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000434642857 860443278 /nfs/dbraw/zinc/44/32/78/860443278.db2.gz NBBNCXJTAQXOQV-UHFFFAOYSA-N 0 0 408.527 4.012 20 30 HIEDRN COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000434720948 860469855 /nfs/dbraw/zinc/46/98/55/860469855.db2.gz ZCGZNPSFQYIOSZ-QHCPKHFHSA-N 0 0 402.498 4.015 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000434732220 860475495 /nfs/dbraw/zinc/47/54/95/860475495.db2.gz KXGZIRYSJKHYDS-SFHVURJKSA-N 0 0 412.493 4.011 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434759889 860484451 /nfs/dbraw/zinc/48/44/51/860484451.db2.gz XMYANFJTLIYKCC-UHFFFAOYSA-N 0 0 410.587 4.316 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000434763579 860486109 /nfs/dbraw/zinc/48/61/09/860486109.db2.gz FZBXSZMHLOJODC-AWEZNQCLSA-N 0 0 403.573 4.263 20 30 HIEDRN CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)sc2C1 ZINC000434826100 860509372 /nfs/dbraw/zinc/50/93/72/860509372.db2.gz LIIMDJDUNWWTSN-RDJZCZTQSA-N 0 0 410.543 4.148 20 30 HIEDRN CC(C)(C)c1cnc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000434826497 860509554 /nfs/dbraw/zinc/50/95/54/860509554.db2.gz GLDTYNKKCMVYTN-UHFFFAOYSA-N 0 0 418.522 4.234 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000434829252 860510538 /nfs/dbraw/zinc/51/05/38/860510538.db2.gz PLGKRPGHZOUQMC-UHFFFAOYSA-N 0 0 416.506 4.204 20 30 HIEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000434846501 860520270 /nfs/dbraw/zinc/52/02/70/860520270.db2.gz PPGQCHGNSRSHFV-RBUKOAKNSA-N 0 0 405.281 4.153 20 30 HIEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000434846499 860520371 /nfs/dbraw/zinc/52/03/71/860520371.db2.gz PPGQCHGNSRSHFV-MOPGFXCFSA-N 0 0 405.281 4.153 20 30 HIEDRN CN(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000434856878 860525115 /nfs/dbraw/zinc/52/51/15/860525115.db2.gz FJCAKJSARXBPIX-ICSRJNTNSA-N 0 0 410.905 4.345 20 30 HIEDRN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000434930611 860559024 /nfs/dbraw/zinc/55/90/24/860559024.db2.gz JGLNMDYKZNOXTD-QUCCMNQESA-N 0 0 406.530 4.096 20 30 HIEDRN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[C@H]1c1ccccc1 ZINC000434930612 860559165 /nfs/dbraw/zinc/55/91/65/860559165.db2.gz JGLNMDYKZNOXTD-UYAOXDASSA-N 0 0 406.530 4.096 20 30 HIEDRN C=CCC[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccccc1 ZINC000434962877 860576299 /nfs/dbraw/zinc/57/62/99/860576299.db2.gz IQDGWEYJRJAPIK-IPJJNNNSSA-N 0 0 408.546 4.202 20 30 HIEDRN COc1cc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OCC(F)(F)F ZINC000434979030 860583799 /nfs/dbraw/zinc/58/37/99/860583799.db2.gz QPONGTCFSHZTQX-IBGZPJMESA-N 0 0 419.447 4.019 20 30 HIEDRN CCOc1c(Br)cc(CN(C)Cc2cc(C#N)ccc2F)cc1OC ZINC000434989400 860588366 /nfs/dbraw/zinc/58/83/66/860588366.db2.gz AIILYTHUJFPNDS-UHFFFAOYSA-N 0 0 407.283 4.499 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000434994572 860588854 /nfs/dbraw/zinc/58/88/54/860588854.db2.gz JZEUFLPXESFBKG-UHFFFAOYSA-N 0 0 406.530 4.415 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3cccc(C(=O)N4CCc5ccccc54)c3)CC2)c1 ZINC000434994901 860589824 /nfs/dbraw/zinc/58/98/24/860589824.db2.gz DZYYQQTXHDZHHV-UHFFFAOYSA-N 0 0 407.473 4.431 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3cccc(CS(=O)(=O)C4CCCCC4)c3)CC2)c1 ZINC000434999807 860591085 /nfs/dbraw/zinc/59/10/85/860591085.db2.gz KCXBAAMMFVGUKO-UHFFFAOYSA-N 0 0 422.550 4.476 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1(c2ccccc2)CCCC1 ZINC000435024994 860604169 /nfs/dbraw/zinc/60/41/69/860604169.db2.gz GUDVEZNDYPEKKH-QGZVFWFLSA-N 0 0 406.530 4.070 20 30 HIEDRN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435044203 860613140 /nfs/dbraw/zinc/61/31/40/860613140.db2.gz SMMRNSDFXHIDGL-NQIIRXRSSA-N 0 0 406.530 4.129 20 30 HIEDRN Cc1[nH]c2ccccc2c1C1=CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435048311 860614068 /nfs/dbraw/zinc/61/40/68/860614068.db2.gz HKMRRYDNRPHUGY-HXUWFJFHSA-N 0 0 402.523 4.304 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(F)cc4)cc3)CC2)c1 ZINC000435063260 860623295 /nfs/dbraw/zinc/62/32/95/860623295.db2.gz ALIZIKZIMWHCEP-UHFFFAOYSA-N 0 0 420.465 4.200 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1)c1ccccc1 ZINC000435100964 860641919 /nfs/dbraw/zinc/64/19/19/860641919.db2.gz LUTZBJAVTAFMBT-QFIPXVFZSA-N 0 0 409.505 4.309 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000435100188 860642128 /nfs/dbraw/zinc/64/21/28/860642128.db2.gz CSVDYPQALWPXKM-NRFANRHFSA-N 0 0 413.468 4.140 20 30 HIEDRN CCc1csc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000435112605 860646612 /nfs/dbraw/zinc/64/66/12/860646612.db2.gz CZXVIFLVDBOHIX-CQSZACIVSA-N 0 0 404.495 4.060 20 30 HIEDRN COc1ccc(C#N)cc1CN1C(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C1=O ZINC000435145162 860664262 /nfs/dbraw/zinc/66/42/62/860664262.db2.gz COGFYLHLQHSPLE-OAQYLSRUSA-N 0 0 417.490 4.334 20 30 HIEDRN CC(C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccnc1 ZINC000435146362 860664442 /nfs/dbraw/zinc/66/44/42/860664442.db2.gz YTKBAFIJADWJNM-KRWDZBQOSA-N 0 0 406.408 4.456 20 30 HIEDRN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(F)c1 ZINC000435153319 860667632 /nfs/dbraw/zinc/66/76/32/860667632.db2.gz IBYOWGHVZYEJJY-UHFFFAOYSA-N 0 0 402.369 4.304 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435153946 860667700 /nfs/dbraw/zinc/66/77/00/860667700.db2.gz PSHWEFJFKFBZJA-UHFFFAOYSA-N 0 0 403.339 4.224 20 30 HIEDRN COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435161174 860671057 /nfs/dbraw/zinc/67/10/57/860671057.db2.gz APXZOBOMIZRMGP-GOSISDBHSA-N 0 0 410.417 4.111 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)C1(OCc2ccccc2)CCOCC1 ZINC000435162624 860671677 /nfs/dbraw/zinc/67/16/77/860671677.db2.gz NAVNOYUZYXLIPO-UHFFFAOYSA-N 0 0 412.489 4.186 20 30 HIEDRN CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccccc2)c1 ZINC000435167806 860674792 /nfs/dbraw/zinc/67/47/92/860674792.db2.gz DYGJRRFNYQCQSS-NRFANRHFSA-N 0 0 423.469 4.012 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000435169373 860675747 /nfs/dbraw/zinc/67/57/47/860675747.db2.gz VDOAENOMUOHGOB-UHFFFAOYSA-N 0 0 418.831 4.372 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)ccc1Cl ZINC000435195845 860691064 /nfs/dbraw/zinc/69/10/64/860691064.db2.gz AOFQQPIDMJAIHZ-UHFFFAOYSA-N 0 0 400.891 4.089 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1Br ZINC000435225121 860698994 /nfs/dbraw/zinc/69/89/94/860698994.db2.gz GBJUYFOJWAEHII-UHFFFAOYSA-N 0 0 407.333 4.230 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000435224064 860699080 /nfs/dbraw/zinc/69/90/80/860699080.db2.gz BGMWCLKBSHPSPE-LLVKDONJSA-N 0 0 423.872 4.267 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)ccc1Br ZINC000435228728 860700908 /nfs/dbraw/zinc/70/09/08/860700908.db2.gz XQUQNYAXXMISCY-GFCCVEGCSA-N 0 0 411.296 4.232 20 30 HIEDRN C=CCC[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)c1ccccc1 ZINC000435280500 860716044 /nfs/dbraw/zinc/71/60/44/860716044.db2.gz MRTAJBOTCWIWHK-OAHLLOKOSA-N 0 0 421.360 4.406 20 30 HIEDRN C=CCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)c1ccccc1 ZINC000435283868 860717832 /nfs/dbraw/zinc/71/78/32/860717832.db2.gz BSMYUNKZBSTNPU-JTHBVZDNSA-N 0 0 407.489 4.178 20 30 HIEDRN C=CCC[C@H](NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)c1ccccc1 ZINC000435291774 860722376 /nfs/dbraw/zinc/72/23/76/860722376.db2.gz WPBUQNHASQCZDP-NRFANRHFSA-N 0 0 414.571 4.342 20 30 HIEDRN Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435309208 860729895 /nfs/dbraw/zinc/72/98/95/860729895.db2.gz HTVHTDLOMDJZQO-INIZCTEOSA-N 0 0 420.435 4.172 20 30 HIEDRN CC(=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339464 860749342 /nfs/dbraw/zinc/74/93/42/860749342.db2.gz UEMWNIJNOKTRJI-MNDMWVCDSA-N 0 0 417.309 4.383 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)COc2ccccc2OCC(F)(F)F)cc1C#N ZINC000435352927 860754378 /nfs/dbraw/zinc/75/43/78/860754378.db2.gz HZFLAZMVPIFYOW-UHFFFAOYSA-N 0 0 408.376 4.304 20 30 HIEDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000435354369 860755592 /nfs/dbraw/zinc/75/55/92/860755592.db2.gz PZQGIUIIMMOGRC-INIZCTEOSA-N 0 0 411.527 4.353 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435357780 860758851 /nfs/dbraw/zinc/75/88/51/860758851.db2.gz KXPRXIFCXFGMLD-OCCSQVGLSA-N 0 0 409.433 4.207 20 30 HIEDRN COCCOc1cccc(CC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 ZINC000435365827 860764499 /nfs/dbraw/zinc/76/44/99/860764499.db2.gz XUTQLWKBLWZAQU-UHFFFAOYSA-N 0 0 416.477 4.344 20 30 HIEDRN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000435403344 860786958 /nfs/dbraw/zinc/78/69/58/860786958.db2.gz URFGTRLKWORWMW-FCHUYYIVSA-N 0 0 407.514 4.023 20 30 HIEDRN C=CCC[C@H](NC(=O)CSc1nncn1-c1ccc(OC)cc1)c1ccccc1 ZINC000435416609 860792799 /nfs/dbraw/zinc/79/27/99/860792799.db2.gz PECOBIBBSGNLTM-FQEVSTJZSA-N 0 0 408.527 4.192 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nccn1CCc1ccccc1 ZINC000435419706 860794027 /nfs/dbraw/zinc/79/40/27/860794027.db2.gz YRSGPFAGYOKSSP-UHFFFAOYSA-N 0 0 401.514 4.119 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)s1 ZINC000435448718 860802133 /nfs/dbraw/zinc/80/21/33/860802133.db2.gz ZNDUGLAJQWDWMV-MRXNPFEDSA-N 0 0 418.931 4.189 20 30 HIEDRN CC[C@H](NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)c1ccc(Cl)s1 ZINC000435474395 860811707 /nfs/dbraw/zinc/81/17/07/860811707.db2.gz NLEQQVYZAAXMCY-AWEZNQCLSA-N 0 0 405.907 4.266 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1C#N ZINC000435486821 860817621 /nfs/dbraw/zinc/81/76/21/860817621.db2.gz LEVIXOUHNJQAIE-FQEVSTJZSA-N 0 0 411.477 4.327 20 30 HIEDRN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435505766 860826318 /nfs/dbraw/zinc/82/63/18/860826318.db2.gz DRVZVISUBJUCQV-UHFFFAOYSA-N 0 0 405.907 4.048 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435505803 860826335 /nfs/dbraw/zinc/82/63/35/860826335.db2.gz DXXJKHUPTZMWPH-UHFFFAOYSA-N 0 0 417.534 4.429 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000435527026 860843586 /nfs/dbraw/zinc/84/35/86/860843586.db2.gz KJSSFIIYDHTEQK-HXUWFJFHSA-N 0 0 411.889 4.205 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C#N ZINC000435527178 860843846 /nfs/dbraw/zinc/84/38/46/860843846.db2.gz KXCLGKFATYLYLP-INIZCTEOSA-N 0 0 405.498 4.040 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@H]1CCOC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000435532359 860848155 /nfs/dbraw/zinc/84/81/55/860848155.db2.gz QHOXSRSAOBMZAA-RXVVDRJESA-N 0 0 423.509 4.228 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2cnn(-c3ccccc3)c2C)cc(OC)c1OC ZINC000435539826 860853343 /nfs/dbraw/zinc/85/33/43/860853343.db2.gz LZMLIWBZUNVSLJ-UHFFFAOYSA-N 0 0 406.486 4.248 20 30 HIEDRN CCS[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)n1 ZINC000435546914 860861627 /nfs/dbraw/zinc/86/16/27/860861627.db2.gz YTDDWJXHHFZEPQ-CYBMUJFWSA-N 0 0 403.508 4.206 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000435550204 860865873 /nfs/dbraw/zinc/86/58/73/860865873.db2.gz NQURHUXOOHJZMP-UHFFFAOYSA-N 0 0 409.421 4.448 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)NCc2cccc(COC3CCOCC3)c2)cc1C#N ZINC000435551552 860867079 /nfs/dbraw/zinc/86/70/79/860867079.db2.gz MJECFTYDMYMBOD-UHFFFAOYSA-N 0 0 423.513 4.363 20 30 HIEDRN Cc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccccc1F ZINC000435551610 860867159 /nfs/dbraw/zinc/86/71/59/860867159.db2.gz NFJBWLFBUJWBIS-UHFFFAOYSA-N 0 0 419.460 4.267 20 30 HIEDRN COc1cc([C@H](C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc(OC)c1OC ZINC000435567165 860888239 /nfs/dbraw/zinc/88/82/39/860888239.db2.gz QBMSGBFHMIGHAS-AWEZNQCLSA-N 0 0 413.474 4.254 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000435595468 860902923 /nfs/dbraw/zinc/90/29/23/860902923.db2.gz ZTPJXISVVOWCLV-IBGZPJMESA-N 0 0 418.501 4.377 20 30 HIEDRN N#Cc1cc(N(C#N)CC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1F ZINC000467774038 881592665 /nfs/dbraw/zinc/59/26/65/881592665.db2.gz SXWBRTLFGOSTKI-UHFFFAOYSA-N 0 0 400.413 4.203 20 30 HIEDRN N#Cc1cc(N(C#N)CC(=O)NCCC(c2ccccc2)c2ccccc2)ccc1F ZINC000467772759 881592789 /nfs/dbraw/zinc/59/27/89/881592789.db2.gz PSHGKVVOYSVPTI-UHFFFAOYSA-N 0 0 412.468 4.323 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000435633611 860927718 /nfs/dbraw/zinc/92/77/18/860927718.db2.gz AANIHVBZURSCAI-GOSISDBHSA-N 0 0 413.861 4.257 20 30 HIEDRN C[C@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000467776507 881595494 /nfs/dbraw/zinc/59/54/94/881595494.db2.gz RWHHZNHJDHMXEW-JTQLQIEISA-N 0 0 416.371 4.163 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000435649376 860934335 /nfs/dbraw/zinc/93/43/35/860934335.db2.gz ZZROLLXFJQSDPW-LBPRGKRZSA-N 0 0 407.367 4.264 20 30 HIEDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000435666764 860945651 /nfs/dbraw/zinc/94/56/51/860945651.db2.gz BREMCNDTNYWFHT-GOSISDBHSA-N 0 0 421.419 4.304 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccccc1 ZINC000435674059 860953395 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CC(C)c1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)nn1C(C)(C)C ZINC000438613196 864038382 /nfs/dbraw/zinc/03/83/82/864038382.db2.gz RILIJOTVTRPCOP-UHFFFAOYSA-N 0 0 409.534 4.148 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000438617031 864043003 /nfs/dbraw/zinc/04/30/03/864043003.db2.gz XXKJHVHKVCQEON-AGAKRUGWSA-N 0 0 401.510 4.054 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000438621343 864047087 /nfs/dbraw/zinc/04/70/87/864047087.db2.gz RYPDTEAMRWXGOV-BACDZXNISA-N 0 0 413.880 4.356 20 30 HIEDRN COc1ccc(CCCCC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438624880 864051864 /nfs/dbraw/zinc/05/18/64/864051864.db2.gz WZJIROPPILSQJK-UHFFFAOYSA-N 0 0 407.514 4.181 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000438626505 864054593 /nfs/dbraw/zinc/05/45/93/864054593.db2.gz KKYUNFWBMNALSK-UHFFFAOYSA-N 0 0 424.245 4.279 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000438630086 864058978 /nfs/dbraw/zinc/05/89/78/864058978.db2.gz PFPSNSMICZDJTC-UHFFFAOYSA-N 0 0 406.383 4.156 20 30 HIEDRN N#Cc1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cc1C(F)(F)F ZINC000438635562 864066892 /nfs/dbraw/zinc/06/68/92/864066892.db2.gz VGTQHLBGIHASLN-UHFFFAOYSA-N 0 0 408.327 4.417 20 30 HIEDRN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000438638400 864073231 /nfs/dbraw/zinc/07/32/31/864073231.db2.gz RJXKFRKXKJFZPX-INIZCTEOSA-N 0 0 412.362 4.280 20 30 HIEDRN Cn1ccnc1[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1F ZINC000438642327 864079060 /nfs/dbraw/zinc/07/90/60/864079060.db2.gz PSWQPOPFUPPRQN-KRWDZBQOSA-N 0 0 417.366 4.361 20 30 HIEDRN Cn1ccnc1[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1F ZINC000438642330 864079216 /nfs/dbraw/zinc/07/92/16/864079216.db2.gz PSWQPOPFUPPRQN-QGZVFWFLSA-N 0 0 417.366 4.361 20 30 HIEDRN C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000438644061 864081134 /nfs/dbraw/zinc/08/11/34/864081134.db2.gz VPOFRMXGQAAJLV-LBPRGKRZSA-N 0 0 408.449 4.207 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc(OC)c1OC ZINC000438645223 864083326 /nfs/dbraw/zinc/08/33/26/864083326.db2.gz XCMNIMRHTFEKKU-LLVKDONJSA-N 0 0 423.391 4.486 20 30 HIEDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000438647512 864087684 /nfs/dbraw/zinc/08/76/84/864087684.db2.gz IYPDTCSTXGYLOJ-UKRRQHHQSA-N 0 0 410.440 4.126 20 30 HIEDRN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)c1 ZINC000438655721 864097778 /nfs/dbraw/zinc/09/77/78/864097778.db2.gz ZWKKRHUULUMFGB-AWEZNQCLSA-N 0 0 418.419 4.234 20 30 HIEDRN N#Cc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1C(F)(F)F ZINC000438657584 864101892 /nfs/dbraw/zinc/10/18/92/864101892.db2.gz SFCROXDKDNMBAF-UHFFFAOYSA-N 0 0 403.404 4.447 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)c2cnc3c(C)cccn3c2=O)C(C)(C)C)cc1 ZINC000467873439 881733929 /nfs/dbraw/zinc/73/39/29/881733929.db2.gz CMHYVXBUZKNHEI-UHFFFAOYSA-N 0 0 405.498 4.009 20 30 HIEDRN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000438728681 864212304 /nfs/dbraw/zinc/21/23/04/864212304.db2.gz BZIBDEIETUZYNT-ZJUUUORDSA-N 0 0 414.321 4.268 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC000438733314 864219140 /nfs/dbraw/zinc/21/91/40/864219140.db2.gz MVMVGWKVJKLNNA-CMPLNLGQSA-N 0 0 421.341 4.000 20 30 HIEDRN CC(C)OCc1cccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000438759639 864252891 /nfs/dbraw/zinc/25/28/91/864252891.db2.gz ZTBBFGCWACLAHI-INIZCTEOSA-N 0 0 411.527 4.441 20 30 HIEDRN CC(C)CCOc1cccc(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000438761589 864256051 /nfs/dbraw/zinc/25/60/51/864256051.db2.gz REITURIYBJKASG-UHFFFAOYSA-N 0 0 409.486 4.348 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)ccc1Cl ZINC000438761952 864257740 /nfs/dbraw/zinc/25/77/40/864257740.db2.gz FHWUQTXXYGHAMF-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN N#CCC[C@@H](NC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000438834625 864327945 /nfs/dbraw/zinc/32/79/45/864327945.db2.gz INIFXERBWUOVRD-JOCHJYFZSA-N 0 0 412.484 4.273 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1)c1ccccc1 ZINC000438841596 864335447 /nfs/dbraw/zinc/33/54/47/864335447.db2.gz ZUKSCHOSFBDYPB-NRFANRHFSA-N 0 0 408.477 4.231 20 30 HIEDRN CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000438844521 864338522 /nfs/dbraw/zinc/33/85/22/864338522.db2.gz XBJYWXMAFHEZJN-KMDXXIMOSA-N 0 0 420.557 4.010 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccccc1 ZINC000438844743 864340623 /nfs/dbraw/zinc/34/06/23/864340623.db2.gz XFJTWRCACZBBNW-NRFANRHFSA-N 0 0 414.912 4.351 20 30 HIEDRN N#CCC[C@H](NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000438847690 864343653 /nfs/dbraw/zinc/34/36/53/864343653.db2.gz NOVABMBLGMBHTR-SFHVURJKSA-N 0 0 409.877 4.277 20 30 HIEDRN N#CCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1 ZINC000438861362 864354093 /nfs/dbraw/zinc/35/40/93/864354093.db2.gz RRHSINWIBYMVCU-RBUKOAKNSA-N 0 0 410.905 4.180 20 30 HIEDRN N#CCC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccccc1 ZINC000438861363 864354749 /nfs/dbraw/zinc/35/47/49/864354749.db2.gz RRHSINWIBYMVCU-RTBURBONSA-N 0 0 410.905 4.180 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000438869790 864362713 /nfs/dbraw/zinc/36/27/13/864362713.db2.gz TZUJMSJILPYKFU-NRFANRHFSA-N 0 0 424.932 4.243 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)OC)c1ccccc1C ZINC000438889688 864372698 /nfs/dbraw/zinc/37/26/98/864372698.db2.gz IIGIAYRIFJJEQY-FQEVSTJZSA-N 0 0 409.511 4.358 20 30 HIEDRN CCCc1c(NCc2csc(N(CC)C(C)=O)n2)cnn1-c1cccc(C#N)c1 ZINC000438906299 864385483 /nfs/dbraw/zinc/38/54/83/864385483.db2.gz XQFLOHLCRFJUDA-UHFFFAOYSA-N 0 0 408.531 4.138 20 30 HIEDRN C[C@]1(c2ccc(Br)cc2)CC(=O)N(Cc2ccc(C#N)cc2Cl)C1=O ZINC000438912995 864392118 /nfs/dbraw/zinc/39/21/18/864392118.db2.gz XDXGIUXJWDNLDI-LJQANCHMSA-N 0 0 417.690 4.191 20 30 HIEDRN CCSc1nccnc1-c1noc(-c2ccc(COc3ccc(C#N)cc3)o2)n1 ZINC000438932820 864410788 /nfs/dbraw/zinc/41/07/88/864410788.db2.gz PRCWXEZHARNNIC-UHFFFAOYSA-N 0 0 405.439 4.349 20 30 HIEDRN N#CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000438952651 864424014 /nfs/dbraw/zinc/42/40/14/864424014.db2.gz XLAHHZMXZNYOJT-HNNXBMFYSA-N 0 0 413.724 4.426 20 30 HIEDRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000438968496 864435450 /nfs/dbraw/zinc/43/54/50/864435450.db2.gz YAMOWWLZRJVIOE-LBPRGKRZSA-N 0 0 417.701 4.045 20 30 HIEDRN CO[C@@H](C)c1nc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cs1 ZINC000438978405 864442117 /nfs/dbraw/zinc/44/21/17/864442117.db2.gz MFXJRSVJJWGWRL-HNNXBMFYSA-N 0 0 407.495 4.231 20 30 HIEDRN CCn1ccnc1[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439001850 864456875 /nfs/dbraw/zinc/45/68/75/864456875.db2.gz MLHPOJGAGHEPMK-SFHVURJKSA-N 0 0 411.575 4.271 20 30 HIEDRN COc1ccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(F)c1 ZINC000467904113 881766859 /nfs/dbraw/zinc/76/68/59/881766859.db2.gz NWCCZIVWJFKBQM-UHFFFAOYSA-N 0 0 418.428 4.280 20 30 HIEDRN COc1cc(NC(=O)c2ccc(C#N)cc2C)c(OC)cc1NC(=O)c1ccccc1 ZINC000439028135 864483506 /nfs/dbraw/zinc/48/35/06/864483506.db2.gz PIYOFDPRQIXKCR-UHFFFAOYSA-N 0 0 415.449 4.389 20 30 HIEDRN CCCc1c(N[C@H](C)c2ccccc2OCC(=O)OC)cnn1-c1cccc(C#N)c1 ZINC000439058987 864509206 /nfs/dbraw/zinc/50/92/06/864509206.db2.gz WCXYWGSUCRSKRU-QGZVFWFLSA-N 0 0 418.497 4.421 20 30 HIEDRN Cc1ccc(-n2c(SCC(=O)c3cccc(C#N)c3)nnc2-c2ccccn2)cc1 ZINC000439058138 864509672 /nfs/dbraw/zinc/50/96/72/864509672.db2.gz SZKSUMABHYKWGH-UHFFFAOYSA-N 0 0 411.490 4.484 20 30 HIEDRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1cc(C#N)oc1C)CCC2 ZINC000439086652 864533397 /nfs/dbraw/zinc/53/33/97/864533397.db2.gz MHPHSSIYMZIEQS-UHFFFAOYSA-N 0 0 420.421 4.011 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(C)nc(-c2ccc(F)cc2)nc1SC ZINC000439099015 864539312 /nfs/dbraw/zinc/53/93/12/864539312.db2.gz IPEVDBMWUFCGES-CRAIPNDOSA-N 0 0 401.507 4.024 20 30 HIEDRN COC(=O)c1ccccc1-n1ncc(N[C@@H](CCC#N)c2ccccc2)c(Cl)c1=O ZINC000439110209 864547197 /nfs/dbraw/zinc/54/71/97/864547197.db2.gz QXWCTXUIFZEPQX-KRWDZBQOSA-N 0 0 422.872 4.129 20 30 HIEDRN CCN(CCC#N)C(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000439137938 864571127 /nfs/dbraw/zinc/57/11/27/864571127.db2.gz JANYIXOTKJRQSX-UHFFFAOYSA-N 0 0 400.276 4.077 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000439162798 864593706 /nfs/dbraw/zinc/59/37/06/864593706.db2.gz DEUGGIZWYKMOJD-UHFFFAOYSA-N 0 0 401.466 4.104 20 30 HIEDRN Cn1cc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(C(F)(F)F)n1 ZINC000439176331 864604359 /nfs/dbraw/zinc/60/43/59/864604359.db2.gz DJRMZYSJGGAOHE-UHFFFAOYSA-N 0 0 416.428 4.392 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000439180619 864609484 /nfs/dbraw/zinc/60/94/84/864609484.db2.gz CJTWZQYNUJVFEA-UHFFFAOYSA-N 0 0 414.387 4.341 20 30 HIEDRN Cc1cc2c(o1)c(C(=O)Nc1cnn(-c3ncccc3C#N)c1)ccc2Br ZINC000467917327 881786552 /nfs/dbraw/zinc/78/65/52/881786552.db2.gz FBYRXAQFJKGTNP-UHFFFAOYSA-N 0 0 422.242 4.208 20 30 HIEDRN CCCc1c(NC(=O)Nc2cc(C(=O)NC)ccc2C)cnn1-c1cccc(C#N)c1 ZINC000439223602 864640365 /nfs/dbraw/zinc/64/03/65/864640365.db2.gz IGGMMWGKCFJJOQ-UHFFFAOYSA-N 0 0 416.485 4.009 20 30 HIEDRN CCCc1c(NC(=O)Nc2cccc(C(=O)NC)c2C)cnn1-c1cccc(C#N)c1 ZINC000439227764 864645196 /nfs/dbraw/zinc/64/51/96/864645196.db2.gz YVZBPVFAEBORRL-UHFFFAOYSA-N 0 0 416.485 4.009 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000439228810 864646793 /nfs/dbraw/zinc/64/67/93/864646793.db2.gz ITEBBGPURQOLSQ-UHFFFAOYSA-N 0 0 407.451 4.170 20 30 HIEDRN C=CCN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000439244843 864663656 /nfs/dbraw/zinc/66/36/56/864663656.db2.gz HTMZFRLGHFDPMP-DPQOWFAMSA-N 0 0 413.525 4.032 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439247226 864665109 /nfs/dbraw/zinc/66/51/09/864665109.db2.gz NBGJASBJJDMWJK-UHFFFAOYSA-N 0 0 411.296 4.061 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439250685 864667391 /nfs/dbraw/zinc/66/73/91/864667391.db2.gz URUSRFCHQCPRJO-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncnn1-c1ccccc1 ZINC000467919119 881789444 /nfs/dbraw/zinc/78/94/44/881789444.db2.gz JUWSJPAUHQDULO-UHFFFAOYSA-N 0 0 411.490 4.220 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC([C@H]3CCCO3)CC2)c1C#N ZINC000439281850 864700909 /nfs/dbraw/zinc/70/09/09/864700909.db2.gz HMOQLSOPZKOGGT-JOCHJYFZSA-N 0 0 412.578 4.311 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000439281855 864701361 /nfs/dbraw/zinc/70/13/61/864701361.db2.gz HMOQLSOPZKOGGT-QFIPXVFZSA-N 0 0 412.578 4.311 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC([C@@H]2CCCO2)CC1 ZINC000439295408 864719806 /nfs/dbraw/zinc/71/98/06/864719806.db2.gz NEVLHPTZMGHOPT-KXBFYZLASA-N 0 0 401.576 4.107 20 30 HIEDRN N#CCC[C@H](NC(=O)Nc1cccc(I)c1)c1ccccc1 ZINC000439309142 864739198 /nfs/dbraw/zinc/73/91/98/864739198.db2.gz DDNSQACYISUTQS-INIZCTEOSA-N 0 0 405.239 4.458 20 30 HIEDRN CCc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1 ZINC000439308977 864739550 /nfs/dbraw/zinc/73/95/50/864739550.db2.gz BUTOFLLMWXITKC-UHFFFAOYSA-N 0 0 417.440 4.416 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C1=O ZINC000439338291 864776360 /nfs/dbraw/zinc/77/63/60/864776360.db2.gz BVDGSSPOJYFWMJ-SFHVURJKSA-N 0 0 406.511 4.214 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)c1 ZINC000439357211 864799990 /nfs/dbraw/zinc/79/99/90/864799990.db2.gz VUOZOCKQVVRFDR-UHFFFAOYSA-N 0 0 420.469 4.140 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C)cc(Br)c2)c1 ZINC000439368048 864804885 /nfs/dbraw/zinc/80/48/85/864804885.db2.gz GCLZDUXLQWEZMK-UHFFFAOYSA-N 0 0 403.276 4.290 20 30 HIEDRN N#Cc1cccc(CCNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000439383508 864812719 /nfs/dbraw/zinc/81/27/19/864812719.db2.gz XHJNBWPPUAGDQP-UHFFFAOYSA-N 0 0 413.403 4.186 20 30 HIEDRN CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1C ZINC000439398687 864818614 /nfs/dbraw/zinc/81/86/14/864818614.db2.gz WBRRSBYIZHUGAQ-HXUWFJFHSA-N 0 0 414.531 4.313 20 30 HIEDRN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)c2)cs1 ZINC000439417904 864825070 /nfs/dbraw/zinc/82/50/70/864825070.db2.gz DPQAJBPLWBXSGQ-LJQANCHMSA-N 0 0 404.495 4.218 20 30 HIEDRN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)NCCc1cccc(C#N)c1 ZINC000439417317 864825099 /nfs/dbraw/zinc/82/50/99/864825099.db2.gz BOHKKJMMNRWOBX-UHFFFAOYSA-N 0 0 413.403 4.342 20 30 HIEDRN Cc1cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCC(F)(F)F ZINC000439428419 864828390 /nfs/dbraw/zinc/82/83/90/864828390.db2.gz FWOKNBYWPPNTKC-KRWDZBQOSA-N 0 0 419.403 4.036 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1Cl ZINC000439436516 864830823 /nfs/dbraw/zinc/83/08/23/864830823.db2.gz GQSYLPKYOGNQQV-KRWDZBQOSA-N 0 0 412.843 4.161 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)c1ccccc1 ZINC000439448393 864834918 /nfs/dbraw/zinc/83/49/18/864834918.db2.gz GTEQIWWQIAOWLD-HNNXBMFYSA-N 0 0 420.694 4.202 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccccc1 ZINC000439454751 864837566 /nfs/dbraw/zinc/83/75/66/864837566.db2.gz SGLRCLQCSRGAML-DEOSSOPVSA-N 0 0 407.473 4.186 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439458872 864838931 /nfs/dbraw/zinc/83/89/31/864838931.db2.gz FIJAUEZLZPYUKC-GOSISDBHSA-N 0 0 419.403 4.038 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439469631 864842671 /nfs/dbraw/zinc/84/26/71/864842671.db2.gz MMEDXFQSLPBPIZ-QGZVFWFLSA-N 0 0 404.489 4.391 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1ccc(F)cc1 ZINC000439535846 864868268 /nfs/dbraw/zinc/86/82/68/864868268.db2.gz RAVLOPMNFBEUQI-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)NCCc1ccc(F)cc1 ZINC000439535109 864868333 /nfs/dbraw/zinc/86/83/33/864868333.db2.gz GCUSZOFEHZUNRD-ZDUSSCGKSA-N 0 0 408.445 4.279 20 30 HIEDRN COc1cccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1 ZINC000439535732 864868451 /nfs/dbraw/zinc/86/84/51/864868451.db2.gz IVWPDNSSSSDEAK-UHFFFAOYSA-N 0 0 415.449 4.032 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1cc(F)ccc1F ZINC000439536866 864868969 /nfs/dbraw/zinc/86/89/69/864868969.db2.gz WYGHWRQIOKDUIU-UHFFFAOYSA-N 0 0 421.403 4.301 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000439543939 864872631 /nfs/dbraw/zinc/87/26/31/864872631.db2.gz AVWPHGZZPNVNNR-SFHVURJKSA-N 0 0 422.529 4.427 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000439599645 864922523 /nfs/dbraw/zinc/92/25/23/864922523.db2.gz WFMFMJJCKKBJKW-UHFFFAOYSA-N 0 0 404.470 4.077 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(-c2nccc(C)n2)c1 ZINC000439600665 864924470 /nfs/dbraw/zinc/92/44/70/864924470.db2.gz XMNKSLRYVRVHJD-GOSISDBHSA-N 0 0 415.497 4.208 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(C)c(OC(F)F)c1 ZINC000439602268 864926562 /nfs/dbraw/zinc/92/65/62/864926562.db2.gz FEFLFGYFZVGTEZ-HNNXBMFYSA-N 0 0 403.429 4.352 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000439602295 864926600 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HIEDRN N#CCC[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1 ZINC000439662862 864991390 /nfs/dbraw/zinc/99/13/90/864991390.db2.gz AXTJFOLCVDUZRK-INIZCTEOSA-N 0 0 410.524 4.161 20 30 HIEDRN CCCc1c(NC(=O)N[C@H]2CCc3c2cccc3O)cnn1-c1cccc(C#N)c1 ZINC000439662363 864991869 /nfs/dbraw/zinc/99/18/69/864991869.db2.gz JFEYIBHSBFVXLA-IBGZPJMESA-N 0 0 401.470 4.211 20 30 HIEDRN N#CCC[C@@H](NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000439664764 864994189 /nfs/dbraw/zinc/99/41/89/864994189.db2.gz IRTCDPBJPTXQDA-GOSISDBHSA-N 0 0 406.511 4.120 20 30 HIEDRN Cc1ccc(I)c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000439667455 864998561 /nfs/dbraw/zinc/99/85/61/864998561.db2.gz RUDWGISOXJWSFD-KRWDZBQOSA-N 0 0 404.251 4.375 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000439668339 864999461 /nfs/dbraw/zinc/99/94/61/864999461.db2.gz CPAFDUNUSLOQLV-JOCHJYFZSA-N 0 0 419.506 4.262 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1ccccc1 ZINC000439668661 864999834 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HIEDRN CCCc1c(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439682591 865017514 /nfs/dbraw/zinc/01/75/14/865017514.db2.gz MNEWSDYMDORDEM-DYESRHJHSA-N 0 0 409.534 4.412 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cnn1-c1cccc(C#N)c1 ZINC000439684182 865019678 /nfs/dbraw/zinc/01/96/78/865019678.db2.gz ABAPPEXYHDDQJR-STZQEDGTSA-N 0 0 419.529 4.166 20 30 HIEDRN CCCc1c(NC(=O)N2CCO[C@@H](c3ccsc3)C2)cnn1-c1cccc(C#N)c1 ZINC000439688665 865025503 /nfs/dbraw/zinc/02/55/03/865025503.db2.gz ILDNNJBSSOKXDK-OAQYLSRUSA-N 0 0 421.526 4.363 20 30 HIEDRN CCCc1c(NC(=O)N2CC=C(C(F)(F)F)CC2)cnn1-c1cccc(C#N)c1 ZINC000439694064 865030769 /nfs/dbraw/zinc/03/07/69/865030769.db2.gz NLYCQDXUMPHJEJ-UHFFFAOYSA-N 0 0 403.408 4.423 20 30 HIEDRN N#Cc1cc(N(C#N)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1F ZINC000439700823 865038362 /nfs/dbraw/zinc/03/83/62/865038362.db2.gz ZCEQVCPHUXCGEG-QHCPKHFHSA-N 0 0 416.481 4.221 20 30 HIEDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCCSCc1ccccc1C#N ZINC000439707429 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CCCc1c(NC(=O)CSc2ccccc2OC)cnn1-c1cccc(C#N)c1 ZINC000440092204 865354782 /nfs/dbraw/zinc/35/47/82/865354782.db2.gz YWISQQBJAXFQFD-UHFFFAOYSA-N 0 0 406.511 4.436 20 30 HIEDRN CCCc1c(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cnn1-c1cccc(C#N)c1 ZINC000440100452 865358939 /nfs/dbraw/zinc/35/89/39/865358939.db2.gz LHFSJTOGEBZDGB-QHCPKHFHSA-N 0 0 400.482 4.256 20 30 HIEDRN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000440102919 865361419 /nfs/dbraw/zinc/36/14/19/865361419.db2.gz JOBVBACOHDHJNZ-GDBMZVCRSA-N 0 0 415.415 4.310 20 30 HIEDRN CCCc1c(NC(=O)c2cc(COC(C)(C)C)on2)cnn1-c1cccc(C#N)c1 ZINC000440104264 865362690 /nfs/dbraw/zinc/36/26/90/865362690.db2.gz XCGQZWODAAKESX-UHFFFAOYSA-N 0 0 407.474 4.252 20 30 HIEDRN CCCc1c(NC(=O)c2cnc(-c3ccncc3)s2)cnn1-c1cccc(C#N)c1 ZINC000440110751 865364927 /nfs/dbraw/zinc/36/49/27/865364927.db2.gz YZUOXUPFQPEPLY-UHFFFAOYSA-N 0 0 414.494 4.467 20 30 HIEDRN Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1Br ZINC000440208382 865439656 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CSc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000443121244 867830076 /nfs/dbraw/zinc/83/00/76/867830076.db2.gz XHWMXCKDHUMWHK-GJZGRUSLSA-N 0 0 413.568 4.476 20 30 HIEDRN COc1ccc(-c2nc(C)c([C@@H](C)NS(=O)(=O)c3ccccc3C#N)s2)cc1 ZINC000443134474 867835330 /nfs/dbraw/zinc/83/53/30/867835330.db2.gz OTGVJWWQRYTNDL-CQSZACIVSA-N 0 0 413.524 4.038 20 30 HIEDRN N#CC1CCC(CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000443224931 867882387 /nfs/dbraw/zinc/88/23/87/867882387.db2.gz JZOZJRWKPQNNHO-UHFFFAOYSA-N 0 0 407.333 4.211 20 30 HIEDRN N#CC1CCC(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000443229103 867884232 /nfs/dbraw/zinc/88/42/32/867884232.db2.gz UBVUWFUZJKSSMA-UHFFFAOYSA-N 0 0 414.371 4.332 20 30 HIEDRN Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)co2)cc1 ZINC000443320834 867903043 /nfs/dbraw/zinc/90/30/43/867903043.db2.gz NONSESZONVIUJD-UHFFFAOYSA-N 0 0 421.400 4.019 20 30 HIEDRN N#CC1CCC(CNC(=O)C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)CC1 ZINC000443325147 867904372 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C=CCn1c(SC[C@H](O)Cc2ccccc2C(F)(F)F)nnc1-c1ccccn1 ZINC000443418179 868001952 /nfs/dbraw/zinc/00/19/52/868001952.db2.gz YGAFDVPIXKSXHT-OAHLLOKOSA-N 0 0 420.460 4.241 20 30 HIEDRN CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1cc(C#N)c2ccccc2n1 ZINC000443455423 868043586 /nfs/dbraw/zinc/04/35/86/868043586.db2.gz RTUGFYGOZNOWCQ-HNNXBMFYSA-N 0 0 401.388 4.001 20 30 HIEDRN COc1ccc([C@@H](NCC(=O)N(C)C2(C#N)CCCCC2)c2ccccc2OC)cc1 ZINC000443470551 868057645 /nfs/dbraw/zinc/05/76/45/868057645.db2.gz VYQOYJOHOUDCLI-XMMPIXPASA-N 0 0 421.541 4.068 20 30 HIEDRN C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443473074 868059876 /nfs/dbraw/zinc/05/98/76/868059876.db2.gz KAUUPNWTSSDWNW-NSHDSACASA-N 0 0 413.724 4.356 20 30 HIEDRN CC(C)N(Cc1cccc(F)c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443474771 868061243 /nfs/dbraw/zinc/06/12/43/868061243.db2.gz KDGHIGZWYVHOBE-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[nH]1 ZINC000443479039 868064432 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COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC(F)F ZINC000443810119 868344336 /nfs/dbraw/zinc/34/43/36/868344336.db2.gz CXKLWSWUQWRWOB-UHFFFAOYSA-N 0 0 408.426 4.369 20 30 HIEDRN C=CCN(C(=O)c1cn(Cc2cccs2)nn1)c1nc(-c2ccccc2)cs1 ZINC000443813377 868347213 /nfs/dbraw/zinc/34/72/13/868347213.db2.gz HGBJMYOJUVVOEY-UHFFFAOYSA-N 0 0 407.524 4.344 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2o1 ZINC000443822061 868354649 /nfs/dbraw/zinc/35/46/49/868354649.db2.gz FSJUUQXOZBSCSG-QGZVFWFLSA-N 0 0 409.445 4.044 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(Br)s2)c1 ZINC000443840939 868370390 /nfs/dbraw/zinc/37/03/90/868370390.db2.gz YVAFFVXTVUJYQB-GFCCVEGCSA-N 0 0 423.332 4.281 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1C(F)(F)F ZINC000443885116 868421927 /nfs/dbraw/zinc/42/19/27/868421927.db2.gz ZKIVTRNNCGYSMT-HNNXBMFYSA-N 0 0 407.417 4.272 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1C(F)(F)F ZINC000443891757 868427804 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C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000444032585 868565021 /nfs/dbraw/zinc/56/50/21/868565021.db2.gz CVXBVJWZTYNRDN-QGZVFWFLSA-N 0 0 410.477 4.115 20 30 HIEDRN C=CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1cccc([N+](=O)[O-])c1 ZINC000444057800 868595370 /nfs/dbraw/zinc/59/53/70/868595370.db2.gz YIJQQDYEPYNJGS-UHFFFAOYSA-N 0 0 423.469 4.263 20 30 HIEDRN N#CCCCn1cc(C(=O)NCCc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000444134083 868635017 /nfs/dbraw/zinc/63/50/17/868635017.db2.gz ABEFUGSPBIMIPM-UHFFFAOYSA-N 0 0 415.522 4.436 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000444167019 868645642 /nfs/dbraw/zinc/64/56/42/868645642.db2.gz CXCVDWMPAAHVBQ-PZJWPPBQSA-N 0 0 423.582 4.416 20 30 HIEDRN Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3cn(CCCC#N)c4ccccc34)nnc1-2 ZINC000444212743 868668699 /nfs/dbraw/zinc/66/86/99/868668699.db2.gz ARVBQTCIACLXCU-UHFFFAOYSA-N 0 0 423.480 4.474 20 30 HIEDRN Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444253534 868699709 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N#Cc1ccccc1OC1CCC(NC(=O)N2CCO[C@H](c3ccsc3)C2)CC1 ZINC000468300959 882224417 /nfs/dbraw/zinc/22/44/17/882224417.db2.gz QVKBUYGEIQDWAS-GRERDSQWSA-N 0 0 411.527 4.093 20 30 HIEDRN N#CCCCn1cc(C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000444372346 868795719 /nfs/dbraw/zinc/79/57/19/868795719.db2.gz QLUINIUNRLPPEF-MGPUTAFESA-N 0 0 407.436 4.158 20 30 HIEDRN N#CC1(c2ccc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)c(O)c3)cc2)CC1 ZINC000444389997 868804965 /nfs/dbraw/zinc/80/49/65/868804965.db2.gz DVYKTXZAPUYPRK-UHFFFAOYSA-N 0 0 403.482 4.262 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NCc1noc([C@H]2COc3ccccc3O2)n1 ZINC000444397875 868809836 /nfs/dbraw/zinc/80/98/36/868809836.db2.gz CSGSHCBLJXUECK-RDTXWAMCSA-N 0 0 408.483 4.446 20 30 HIEDRN C[C@@H](Nc1ccn(CCC#N)n1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000444413543 868817861 /nfs/dbraw/zinc/81/78/61/868817861.db2.gz NSTDNGNMPBWGAT-MRXNPFEDSA-N 0 0 404.905 5.021 20 30 HIEDRN COc1cccc(C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)c1 ZINC000444445879 868830970 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XNHZYRDDZJADHI-IBGZPJMESA-N 0 0 416.525 4.349 20 30 HIEDRN CCCn1c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC000468543066 882579865 /nfs/dbraw/zinc/57/98/65/882579865.db2.gz PVNNODZRFVFKMT-UHFFFAOYSA-N 0 0 400.526 4.271 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000468546479 882585834 /nfs/dbraw/zinc/58/58/34/882585834.db2.gz CWOGYJXPRGTPEW-RHGYRFJNSA-N 0 0 406.482 4.068 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448285387 872210513 /nfs/dbraw/zinc/21/05/13/872210513.db2.gz KASBZMLAVVJUSW-ZDUSSCGKSA-N 0 0 400.360 4.169 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000448348784 872295431 /nfs/dbraw/zinc/29/54/31/872295431.db2.gz OEQFOCJTIJBVQZ-SJLPKXTDSA-N 0 0 416.568 4.238 20 30 HIEDRN Cc1nnc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2)o1 ZINC000468553403 882598393 /nfs/dbraw/zinc/59/83/93/882598393.db2.gz KSEWWZJYJRPDBK-UHFFFAOYSA-N 0 0 401.451 4.216 20 30 HIEDRN C=CCCCNC(=O)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)c(Cl)c1 ZINC000448375193 872323111 /nfs/dbraw/zinc/32/31/11/872323111.db2.gz MSDJUBMKKFBNDS-UHFFFAOYSA-N 0 0 422.938 4.302 20 30 HIEDRN C=CCCCNC(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000448387361 872334631 /nfs/dbraw/zinc/33/46/31/872334631.db2.gz NYAYBZWRTSMPIV-UHFFFAOYSA-N 0 0 419.323 4.354 20 30 HIEDRN N#C[C@@H]1N(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CCC[C@@]12CCCCO2 ZINC000448536227 872533340 /nfs/dbraw/zinc/53/33/40/872533340.db2.gz CPEPKDHBUORSPF-RXVVDRJESA-N 0 0 406.448 4.482 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000460117283 872587362 /nfs/dbraw/zinc/58/73/62/872587362.db2.gz QXGNPHIIXLZJFY-IBGZPJMESA-N 0 0 405.420 4.410 20 30 HIEDRN CCc1onc(C)c1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC000460129654 872610679 /nfs/dbraw/zinc/61/06/79/872610679.db2.gz KBHJCJOPRYSUBN-UHFFFAOYSA-N 0 0 403.438 4.376 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000460136816 872628866 /nfs/dbraw/zinc/62/88/66/872628866.db2.gz QGTXCDHQAMYYCQ-UHFFFAOYSA-N 0 0 412.291 4.250 20 30 HIEDRN N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)c1cnc2ccccn2c1=O ZINC000460149689 872670934 /nfs/dbraw/zinc/67/09/34/872670934.db2.gz JMSHZYVFIUEVMW-UHFFFAOYSA-N 0 0 414.852 4.067 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000460152384 872677930 /nfs/dbraw/zinc/67/79/30/872677930.db2.gz UAHQSCQJUOGMLT-LBPRGKRZSA-N 0 0 416.359 4.281 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000460178441 872739138 /nfs/dbraw/zinc/73/91/38/872739138.db2.gz OWVIZILTAIVKLS-HXUWFJFHSA-N 0 0 403.486 4.195 20 30 HIEDRN CCn1c(CCc2ccc(OC)cc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460190661 872760696 /nfs/dbraw/zinc/76/06/96/872760696.db2.gz YWMNMCNPFZFBCZ-UHFFFAOYSA-N 0 0 401.514 4.132 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000460193409 872764303 /nfs/dbraw/zinc/76/43/03/872764303.db2.gz CDWOBTZNQQJXTK-MGPUTAFESA-N 0 0 407.905 4.456 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000460228541 872814680 /nfs/dbraw/zinc/81/46/80/872814680.db2.gz BKZROSYKIAUGDL-LPHOPBHVSA-N 0 0 405.477 4.270 20 30 HIEDRN CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000460235751 872824444 /nfs/dbraw/zinc/82/44/44/872824444.db2.gz KEHQWCHPQGIVDP-UHFFFAOYSA-N 0 0 415.497 4.148 20 30 HIEDRN Cc1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)c(O[C@H](C)CC(C)C)c1 ZINC000468580315 882655621 /nfs/dbraw/zinc/65/56/21/882655621.db2.gz GYQDVVLLQNDRAF-GOSISDBHSA-N 0 0 407.514 4.243 20 30 HIEDRN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1F ZINC000468583067 882662211 /nfs/dbraw/zinc/66/22/11/882662211.db2.gz BJKUZLANPZZYSS-FQEVSTJZSA-N 0 0 415.440 4.099 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000460269473 872859220 /nfs/dbraw/zinc/85/92/20/872859220.db2.gz RTNSXZNCKOREQC-ICOILDSSSA-N 0 0 419.525 4.468 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000460285263 872874347 /nfs/dbraw/zinc/87/43/47/872874347.db2.gz WZIVWIUWTAJMDP-UHFFFAOYSA-N 0 0 402.294 4.405 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000460290439 872880761 /nfs/dbraw/zinc/88/07/61/872880761.db2.gz QLKQSVGLEQUVMK-MGPUTAFESA-N 0 0 407.905 4.456 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000460293279 872884213 /nfs/dbraw/zinc/88/42/13/872884213.db2.gz YLCHXUSKOTUJKO-GHTZIAJQSA-N 0 0 401.514 4.440 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000460293282 872884567 /nfs/dbraw/zinc/88/45/67/872884567.db2.gz YLCHXUSKOTUJKO-WIYYLYMNSA-N 0 0 401.514 4.440 20 30 HIEDRN C=CC[C@H]1N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC)CCCC1(C)C ZINC000460310191 872896727 /nfs/dbraw/zinc/89/67/27/872896727.db2.gz VVNPSSJGOFYPEI-LJQANCHMSA-N 0 0 409.582 4.043 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cccc3c2OCC(=O)N3)c1 ZINC000460335686 872943332 /nfs/dbraw/zinc/94/33/32/872943332.db2.gz OWDQZZPTSYIPLN-UHFFFAOYSA-N 0 0 417.852 4.390 20 30 HIEDRN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cc1 ZINC000460343170 872957886 /nfs/dbraw/zinc/95/78/86/872957886.db2.gz LNJQTNHQOWRWBO-UHFFFAOYSA-N 0 0 424.909 4.462 20 30 HIEDRN COCCN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccc(C#N)cc1 ZINC000460346452 872965095 /nfs/dbraw/zinc/96/50/95/872965095.db2.gz GSZDOUZZXONQOE-UHFFFAOYSA-N 0 0 415.280 4.344 20 30 HIEDRN COCCN(C(=O)c1ccc(Br)cc1OC(C)C)c1ccc(C#N)cc1 ZINC000460352492 872972665 /nfs/dbraw/zinc/97/26/65/872972665.db2.gz DBKLDYABOWKXDI-UHFFFAOYSA-N 0 0 417.303 4.401 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H]1CC ZINC000460368040 873002935 /nfs/dbraw/zinc/00/29/35/873002935.db2.gz DMQORLJSSKSHRF-FXAWDEMLSA-N 0 0 420.561 4.437 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCc2cccc(N3CC=CC3)c2)c1 ZINC000460369329 873004544 /nfs/dbraw/zinc/00/45/44/873004544.db2.gz LKHWBKIGRQTSIA-UHFFFAOYSA-N 0 0 409.489 4.443 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@H]1CC(C)C ZINC000460371021 873005716 /nfs/dbraw/zinc/00/57/16/873005716.db2.gz NXSUBFDERZVMJU-IBGZPJMESA-N 0 0 416.591 4.330 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCCCCC1 ZINC000460372507 873008206 /nfs/dbraw/zinc/00/82/06/873008206.db2.gz DZBTYJPGXKASSZ-UHFFFAOYSA-N 0 0 409.582 4.187 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(Cn2cncn2)CC1 ZINC000460373385 873010357 /nfs/dbraw/zinc/01/03/57/873010357.db2.gz ZRLNYOHEOMWLLE-UHFFFAOYSA-N 0 0 419.577 4.327 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC000460373694 873010437 /nfs/dbraw/zinc/01/04/37/873010437.db2.gz IHKHIRUXGZLACG-HXUWFJFHSA-N 0 0 423.473 4.208 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(CCCO)CC1 ZINC000460374316 873012109 /nfs/dbraw/zinc/01/21/09/873012109.db2.gz HJQFSEUDHDLHQM-UHFFFAOYSA-N 0 0 416.591 4.144 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC000460375586 873013017 /nfs/dbraw/zinc/01/30/17/873013017.db2.gz LPMCTAAKAVFJRR-OAQYLSRUSA-N 0 0 422.485 4.152 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1CC(C)(C)C ZINC000460375524 873013456 /nfs/dbraw/zinc/01/34/56/873013456.db2.gz YQLYZNRKNUISAE-SFHVURJKSA-N 0 0 416.591 4.330 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1Cc2ccccc2[C@H]1C ZINC000460375780 873014113 /nfs/dbraw/zinc/01/41/13/873014113.db2.gz YXCKNHFESPMPPD-MRXNPFEDSA-N 0 0 408.527 4.006 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC000460375700 873014196 /nfs/dbraw/zinc/01/41/96/873014196.db2.gz QGALSBFAXYMIIO-UHFFFAOYSA-N 0 0 408.502 4.092 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000460377528 873017050 /nfs/dbraw/zinc/01/70/50/873017050.db2.gz TWMMTKOBBQQOCB-KRWDZBQOSA-N 0 0 405.531 4.206 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000460377802 873017069 /nfs/dbraw/zinc/01/70/69/873017069.db2.gz ZVBITWFESKQPEJ-IBGZPJMESA-N 0 0 405.550 4.386 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC000460380105 873022529 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C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000460561943 873290014 /nfs/dbraw/zinc/29/00/14/873290014.db2.gz RTUOUFQIXXLPBP-FUHIMQAGSA-N 0 0 402.514 4.305 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000460565388 873294995 /nfs/dbraw/zinc/29/49/95/873294995.db2.gz HRUMAHDAKRJMLR-HXUWFJFHSA-N 0 0 406.534 4.071 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000460566038 873297633 /nfs/dbraw/zinc/29/76/33/873297633.db2.gz JPNYAADVKDGCDL-MSOLQXFVSA-N 0 0 417.351 4.432 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C)CC1 ZINC000460567383 873299616 /nfs/dbraw/zinc/29/96/16/873299616.db2.gz OAWAACYYOFPWTH-SFHVURJKSA-N 0 0 420.561 4.438 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000460573808 873308172 /nfs/dbraw/zinc/30/81/72/873308172.db2.gz LUBZBDQQIZPMKC-MNLRITNHSA-N 0 0 414.546 4.312 20 30 HIEDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000460573287 873308678 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20 30 HIEDRN C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)c1cccc(C(=O)c2ccccc2)c1 ZINC000468663506 882800627 /nfs/dbraw/zinc/80/06/27/882800627.db2.gz RYXDYYOANWTVRL-CNPGNWEMSA-N 0 0 416.521 4.475 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000461189386 874183382 /nfs/dbraw/zinc/18/33/82/874183382.db2.gz DDQKPQYZZBUBJC-MOPGFXCFSA-N 0 0 403.507 4.413 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)c3ccccc3NC3CCCCC3)CC2)c1C#N ZINC000461194816 874192592 /nfs/dbraw/zinc/19/25/92/874192592.db2.gz JDCZKZICYIRNRG-UHFFFAOYSA-N 0 0 409.559 4.030 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461235066 874232323 /nfs/dbraw/zinc/23/23/23/874232323.db2.gz SJKSSWXSYUUAJD-IBGZPJMESA-N 0 0 422.407 4.091 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000461237170 874234335 /nfs/dbraw/zinc/23/43/35/874234335.db2.gz OGPWXKPQFLOYPZ-MRXNPFEDSA-N 0 0 409.371 4.084 20 30 HIEDRN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2F)ccn1 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HIEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000461712976 874861957 /nfs/dbraw/zinc/86/19/57/874861957.db2.gz BLXDXUZPTOQOOH-SFHVURJKSA-N 0 0 408.477 4.010 20 30 HIEDRN CO[C@]1(C)C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1(C)C ZINC000461733834 874879656 /nfs/dbraw/zinc/87/96/56/874879656.db2.gz OZRKUYOCOSPASS-DCLXLUIPSA-N 0 0 423.561 4.026 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000461743416 874886324 /nfs/dbraw/zinc/88/63/24/874886324.db2.gz WLEOPWJAETWVTL-UHFFFAOYSA-N 0 0 413.355 4.135 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)C2)cc1 ZINC000461743626 874887539 /nfs/dbraw/zinc/88/75/39/874887539.db2.gz ZUECOVJVKVRXBU-UHFFFAOYSA-N 0 0 405.841 4.302 20 30 HIEDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)c(C(F)(F)F)c1 ZINC000461790301 874907573 /nfs/dbraw/zinc/90/75/73/874907573.db2.gz PDCSFHJKOGIUNJ-ZOWXZIJZSA-N 0 0 413.465 4.343 20 30 HIEDRN C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461807689 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N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000461926391 875065170 /nfs/dbraw/zinc/06/51/70/875065170.db2.gz PFTUOGUGUUHHFD-SMDDNHRTSA-N 0 0 416.279 4.190 20 30 HIEDRN COc1ccc(Cl)cc1C1(CNC(=O)[C@H](C)c2cccc(C#N)c2)CCOCC1 ZINC000461935441 875069741 /nfs/dbraw/zinc/06/97/41/875069741.db2.gz VNRHSWJORMHCGP-MRXNPFEDSA-N 0 0 412.917 4.188 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000461944623 875076842 /nfs/dbraw/zinc/07/68/42/875076842.db2.gz ALNUYFVGAPHXRP-HNAYVOBHSA-N 0 0 421.476 4.230 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000461955647 875085538 /nfs/dbraw/zinc/08/55/38/875085538.db2.gz FVJNSFGWWDDOLQ-NFBKMPQASA-N 0 0 407.514 4.416 20 30 HIEDRN Cc1nc(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)cc1C#N ZINC000461963870 875088647 /nfs/dbraw/zinc/08/86/47/875088647.db2.gz HWAWUJHKYZHTJM-UHFFFAOYSA-N 0 0 408.874 4.361 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H](CCO)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000461964837 875090437 /nfs/dbraw/zinc/09/04/37/875090437.db2.gz LKBIUYUMEHSZSI-OALUTQOASA-N 0 0 414.468 4.190 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000461982742 875103689 /nfs/dbraw/zinc/10/36/89/875103689.db2.gz PJEWKDDKGSDIPW-MLGOLLRUSA-N 0 0 401.264 4.450 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000461996904 875118367 /nfs/dbraw/zinc/11/83/67/875118367.db2.gz WQHFPCWAYPPJJE-VWLOTQADSA-N 0 0 400.478 4.378 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000462017791 875136235 /nfs/dbraw/zinc/13/62/35/875136235.db2.gz XOWATWSLZQDAFD-NRFANRHFSA-N 0 0 418.476 4.640 20 30 HIEDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000462023290 875139108 /nfs/dbraw/zinc/13/91/08/875139108.db2.gz PKILPDZCHUULHZ-NHCUHLMSSA-N 0 0 414.513 4.638 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cn1 ZINC000462082212 875191651 /nfs/dbraw/zinc/19/16/51/875191651.db2.gz GNQLWDOHUASXMC-FQEVSTJZSA-N 0 0 404.449 4.331 20 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/nfs/dbraw/zinc/20/20/76/875202076.db2.gz IYYMUEDLQKWZCX-UHFFFAOYSA-N 0 0 418.476 4.297 20 30 HIEDRN CC[C@@H](C)[C@H](NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)c1ccc(Cl)cc1 ZINC000462099077 875208169 /nfs/dbraw/zinc/20/81/69/875208169.db2.gz DYIHRAFGAAJDRF-VLIAUNLRSA-N 0 0 422.920 5.010 20 30 HIEDRN C[C@@H](C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc21)n1cnc(C#N)n1 ZINC000462104065 875211809 /nfs/dbraw/zinc/21/18/09/875211809.db2.gz JMNXCUOLMICFTR-ZDUSSCGKSA-N 0 0 418.844 4.343 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000462149302 875245441 /nfs/dbraw/zinc/24/54/41/875245441.db2.gz CUWRTGANXSDXBT-UHFFFAOYSA-N 0 0 417.893 4.400 20 30 HIEDRN COc1cc(NC(=O)CNc2ccc(C#N)c(C(F)(F)F)c2)c(OC)cc1Cl ZINC000462165121 875261355 /nfs/dbraw/zinc/26/13/55/875261355.db2.gz ABDCUDZZFGHYLR-UHFFFAOYSA-N 0 0 413.783 4.298 20 30 HIEDRN C=CCN(Cc1ccccc1F)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462175158 875273210 /nfs/dbraw/zinc/27/32/10/875273210.db2.gz JXFGVLNHRYSHON-UHFFFAOYSA-N 0 0 419.261 4.418 20 30 HIEDRN CSc1cccc([C@@H](NCC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189820 875295702 /nfs/dbraw/zinc/29/57/02/875295702.db2.gz PHQFXEDBYZKOSX-YADHBBJMSA-N 0 0 415.509 4.174 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000462193438 875299921 /nfs/dbraw/zinc/29/99/21/875299921.db2.gz QQBYANXXTYYXPJ-UHFFFAOYSA-N 0 0 423.321 4.149 20 30 HIEDRN C[C@@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000462201812 875310125 /nfs/dbraw/zinc/31/01/25/875310125.db2.gz XVUAPHFKQSORPY-CQSZACIVSA-N 0 0 409.287 4.308 20 30 HIEDRN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462252241 875373953 /nfs/dbraw/zinc/37/39/53/875373953.db2.gz APPLZOACFTVESV-QGZVFWFLSA-N 0 0 405.498 4.325 20 30 HIEDRN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000462282604 875407655 /nfs/dbraw/zinc/40/76/55/875407655.db2.gz CSAYIDHSXQEPRH-CQSZACIVSA-N 0 0 421.298 4.093 20 30 HIEDRN COCCN(Cc1cc(Br)cs1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462330623 875447959 /nfs/dbraw/zinc/44/79/59/875447959.db2.gz GROYZSCHDMPJKK-CYBMUJFWSA-N 0 0 407.333 4.161 20 30 HIEDRN COCCN(Cc1sccc1Br)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462342955 875457100 /nfs/dbraw/zinc/45/71/00/875457100.db2.gz UMVLFINVFDHUEE-ZDUSSCGKSA-N 0 0 407.333 4.161 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cc1 ZINC000462396624 875506123 /nfs/dbraw/zinc/50/61/23/875506123.db2.gz OUECAFSJQJZALT-UHFFFAOYSA-N 0 0 400.406 4.107 20 30 HIEDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@H](C)CO1 ZINC000462411968 875518511 /nfs/dbraw/zinc/51/85/11/875518511.db2.gz FZSAXOHIBSIUQO-RDTXWAMCSA-N 0 0 424.444 4.036 20 30 HIEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1c1ccccc1 ZINC000462410531 875518918 /nfs/dbraw/zinc/51/89/18/875518918.db2.gz BJTHLWJWHGIIOZ-YOEHRIQHSA-N 0 0 408.445 4.391 20 30 HIEDRN N#Cc1ccc(NCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000468892932 882938522 /nfs/dbraw/zinc/93/85/22/882938522.db2.gz GXBYIUWKKAHLHA-SFHVURJKSA-N 0 0 402.267 4.235 20 30 HIEDRN COc1ccc(CN(C(=O)NCc2ccc(C#N)c(OC)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000462478023 875585733 /nfs/dbraw/zinc/58/57/33/875585733.db2.gz AZAZQQVVXGGWRX-INIZCTEOSA-N 0 0 423.513 4.094 20 30 HIEDRN C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)c1cccc(C#N)c1 ZINC000462498846 875612293 /nfs/dbraw/zinc/61/22/93/875612293.db2.gz CJTPEXITICHNAM-YJYMSZOUSA-N 0 0 417.278 4.163 20 30 HIEDRN N#C[C@H](NC(=O)c1c(Br)cccc1Br)c1ccccc1F ZINC000462522080 875638248 /nfs/dbraw/zinc/63/82/48/875638248.db2.gz CFMXWTRQQSQPPV-ZDUSSCGKSA-N 0 0 412.056 4.345 20 30 HIEDRN N#Cc1ccc(CN(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)C2CC2)cc1 ZINC000462529129 875647320 /nfs/dbraw/zinc/64/73/20/875647320.db2.gz FVNOGXNMTFOFHP-HSZRJFAPSA-N 0 0 401.510 4.326 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1)c1ccccc1Cl ZINC000462536657 875655427 /nfs/dbraw/zinc/65/54/27/875655427.db2.gz SYGWXWFKMMFBAW-ILWGZMRPSA-N 0 0 420.900 4.043 20 30 HIEDRN CCCCS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000468901099 882952548 /nfs/dbraw/zinc/95/25/48/882952548.db2.gz IELKFKOPRRHUCC-UHFFFAOYSA-N 0 0 412.555 4.430 20 30 HIEDRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000462577454 875698784 /nfs/dbraw/zinc/69/87/84/875698784.db2.gz MQIYSXHWCSJHTD-VGSWGCGISA-N 0 0 410.539 4.208 20 30 HIEDRN COc1ccc([C@@H](NS(=O)(=O)CCCCC#N)c2ccccc2Cl)c(C)c1 ZINC000462595661 875711291 /nfs/dbraw/zinc/71/12/91/875711291.db2.gz VCHZGFPTWJRGEF-HXUWFJFHSA-N 0 0 406.935 4.360 20 30 HIEDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000462615480 875728533 /nfs/dbraw/zinc/72/85/33/875728533.db2.gz KRYUKRIATQQXFO-KSSFIOAISA-N 0 0 416.275 4.307 20 30 HIEDRN COc1ccccc1CC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000462804758 875852010 /nfs/dbraw/zinc/85/20/10/875852010.db2.gz QFKFTYVCUBSRAP-UHFFFAOYSA-N 0 0 402.454 4.482 20 30 HIEDRN N#Cc1cc([N+](=O)[O-])cnc1N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000462878734 875907824 /nfs/dbraw/zinc/90/78/24/875907824.db2.gz NVFNSSRRDXGUML-UHFFFAOYSA-N 0 0 407.257 4.464 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NCc2ccc(C(F)F)cc2)nnc1-c1ccco1 ZINC000462905650 875931034 /nfs/dbraw/zinc/93/10/34/875931034.db2.gz IVBBDVOYQLSHQR-UHFFFAOYSA-N 0 0 418.469 4.460 20 30 HIEDRN C[C@H](c1ccc(Br)cc1)N1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000462908633 875933713 /nfs/dbraw/zinc/93/37/13/875933713.db2.gz CDHMHICENFLPAI-OAHLLOKOSA-N 0 0 422.330 4.147 20 30 HIEDRN C[C@@H](c1ccc(Br)cc1)N1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000462909716 875935355 /nfs/dbraw/zinc/93/53/55/875935355.db2.gz FZGKPNUTGWCYRG-HNNXBMFYSA-N 0 0 411.347 4.088 20 30 HIEDRN C[C@H](c1ccc(Br)cc1)N1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000462909717 875935717 /nfs/dbraw/zinc/93/57/17/875935717.db2.gz FZGKPNUTGWCYRG-OAHLLOKOSA-N 0 0 411.347 4.088 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000462911722 875937206 /nfs/dbraw/zinc/93/72/06/875937206.db2.gz HQSGEPKZZMJCQI-RBBKRZOGSA-N 0 0 402.450 4.380 20 30 HIEDRN C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000462946740 875967538 /nfs/dbraw/zinc/96/75/38/875967538.db2.gz PTOMKWTYVALMTO-INIZCTEOSA-N 0 0 404.901 4.040 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000462977973 875989738 /nfs/dbraw/zinc/98/97/38/875989738.db2.gz NMORWDSBAMZQER-RUZDIDTESA-N 0 0 414.530 4.486 20 30 HIEDRN CNc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000462988355 876002946 /nfs/dbraw/zinc/00/29/46/876002946.db2.gz IKUSMYILXQUGJO-UHFFFAOYSA-N 0 0 420.400 4.479 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000468926834 882988227 /nfs/dbraw/zinc/98/82/27/882988227.db2.gz LJHXXSDAKGVOMS-KSSFIOAISA-N 0 0 423.344 4.038 20 30 HIEDRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1C#N ZINC000463022692 876039754 /nfs/dbraw/zinc/03/97/54/876039754.db2.gz GBHCCAJUCDWSCG-HSZRJFAPSA-N 0 0 413.433 4.062 20 30 HIEDRN C=CCn1c(SCc2csc(COC)n2)nc2sc3c(c2c1=O)CCCC3 ZINC000463028474 876047810 /nfs/dbraw/zinc/04/78/10/876047810.db2.gz AZPVCJOQRPVWHS-UHFFFAOYSA-N 0 0 419.597 4.418 20 30 HIEDRN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(C#N)c1 ZINC000463063684 876093080 /nfs/dbraw/zinc/09/30/80/876093080.db2.gz DMHVJRVDDMDMKO-CQSZACIVSA-N 0 0 403.404 4.156 20 30 HIEDRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000463071744 876102197 /nfs/dbraw/zinc/10/21/97/876102197.db2.gz BVHIJXAUJHGFJH-CYBMUJFWSA-N 0 0 424.854 4.387 20 30 HIEDRN Cc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)nn1-c1c(F)cccc1F ZINC000468939581 883004301 /nfs/dbraw/zinc/00/43/01/883004301.db2.gz LEXBYBAZQPIUFE-UHFFFAOYSA-N 0 0 422.435 4.014 20 30 HIEDRN CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)o2)cc1 ZINC000463176781 876234011 /nfs/dbraw/zinc/23/40/11/876234011.db2.gz GNPDLGWUGSMSIV-UHFFFAOYSA-N 0 0 414.509 4.473 20 30 HIEDRN C=CCc1cc(-c2nc(Cc3cc(C(F)(F)F)ccn3)no2)cc(OC)c1OC ZINC000463187087 876244190 /nfs/dbraw/zinc/24/41/90/876244190.db2.gz YKEIDRJYILVQOT-UHFFFAOYSA-N 0 0 405.376 4.487 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](c3nc(Cc4cc(C(F)(F)F)ccn4)no3)C2)c(F)c1 ZINC000463193362 876250442 /nfs/dbraw/zinc/25/04/42/876250442.db2.gz VQICHPCBVGARMZ-CYBMUJFWSA-N 0 0 417.366 4.079 20 30 HIEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000463192841 876251613 /nfs/dbraw/zinc/25/16/13/876251613.db2.gz MFTWMSDPMNIMCH-HXUWFJFHSA-N 0 0 401.432 4.204 20 30 HIEDRN N#CCCCn1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c2ccccc21 ZINC000468945613 883010912 /nfs/dbraw/zinc/01/09/12/883010912.db2.gz KOCHHKVJEPNBMU-HXUWFJFHSA-N 0 0 402.498 4.161 20 30 HIEDRN COc1cc(Br)ccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000468947115 883013279 /nfs/dbraw/zinc/01/32/79/883013279.db2.gz JTHRKGGAYAOUNL-CHWSQXEVSA-N 0 0 402.292 4.007 20 30 HIEDRN COc1cc(Br)ccc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000468947489 883013339 /nfs/dbraw/zinc/01/33/39/883013339.db2.gz JTHRKGGAYAOUNL-QWHCGFSZSA-N 0 0 402.292 4.007 20 30 HIEDRN C=CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000463240884 876296429 /nfs/dbraw/zinc/29/64/29/876296429.db2.gz BDPOEQAYLZQWQY-UHFFFAOYSA-N 0 0 422.934 4.371 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000463248315 876306025 /nfs/dbraw/zinc/30/60/25/876306025.db2.gz SYNOWOZMYNHHSR-ZVGUJKQYSA-N 0 0 404.482 4.130 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000463248314 876306716 /nfs/dbraw/zinc/30/67/16/876306716.db2.gz SYNOWOZMYNHHSR-OXTHUFEASA-N 0 0 404.482 4.130 20 30 HIEDRN C=CCc1cc(CNC(=O)c2c(C)nc(C3CC3)nc2SC)cc(OC)c1OC ZINC000468954387 883019425 /nfs/dbraw/zinc/01/94/25/883019425.db2.gz LIVOKEDVZRQPQE-UHFFFAOYSA-N 0 0 413.543 4.060 20 30 HIEDRN CO[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1ccc(O)cc1 ZINC000463322389 876378946 /nfs/dbraw/zinc/37/89/46/876378946.db2.gz XSTNCCDCXHUTAJ-QHCPKHFHSA-N 0 0 402.450 4.363 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](OC)c1ccc(O)cc1 ZINC000463329549 876385644 /nfs/dbraw/zinc/38/56/44/876385644.db2.gz XOXHLFPQAFCVLL-GOSISDBHSA-N 0 0 408.267 4.196 20 30 HIEDRN CC(C)n1cc(Br)cc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000463376410 876431778 /nfs/dbraw/zinc/43/17/78/876431778.db2.gz KBECGRQKBPHTMN-UHFFFAOYSA-N 0 0 415.335 4.056 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000463411137 876464760 /nfs/dbraw/zinc/46/47/60/876464760.db2.gz BRZVWESJPPWPBP-ZDUSSCGKSA-N 0 0 407.333 4.161 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463411149 876465043 /nfs/dbraw/zinc/46/50/43/876465043.db2.gz BWUAPPZMMCXGJN-UHFFFAOYSA-N 0 0 403.457 4.412 20 30 HIEDRN COc1cccc(OC)c1Oc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)cn1 ZINC000463422966 876477082 /nfs/dbraw/zinc/47/70/82/876477082.db2.gz ANQRKGQTGZHZLL-UHFFFAOYSA-N 0 0 406.398 4.283 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)c3ccnc(Oc4ccc(F)cc4F)c3)CCO2)c1 ZINC000468971481 883038921 /nfs/dbraw/zinc/03/89/21/883038921.db2.gz LCPCFYPPFDFTED-OAQYLSRUSA-N 0 0 421.403 4.237 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCc4c[nH]nc4C3)cc2Cl)c1 ZINC000463481274 876539346 /nfs/dbraw/zinc/53/93/46/876539346.db2.gz LOBRCITWEPQFGP-INIZCTEOSA-N 0 0 406.873 4.257 20 30 HIEDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000463527346 876599174 /nfs/dbraw/zinc/59/91/74/876599174.db2.gz OJYDTHHLYYTPQS-UHFFFAOYSA-N 0 0 414.508 4.032 20 30 HIEDRN CCOc1ccc(NC(=O)COc2ccc(Br)cc2C#N)cc1OCC ZINC000468981699 883048249 /nfs/dbraw/zinc/04/82/49/883048249.db2.gz QWZMRKOHKUZOTO-UHFFFAOYSA-N 0 0 419.275 4.136 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000463576588 876674294 /nfs/dbraw/zinc/67/42/94/876674294.db2.gz NZZQHYLHHHVURE-CQSZACIVSA-N 0 0 411.433 4.249 20 30 HIEDRN N#Cc1ccc2c(c1)N(C(=O)c1c(Cl)cccc1I)CC2 ZINC000463581319 876681863 /nfs/dbraw/zinc/68/18/63/876681863.db2.gz FRFUAQZBCLLOHR-UHFFFAOYSA-N 0 0 408.626 4.019 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000463582892 876683606 /nfs/dbraw/zinc/68/36/06/876683606.db2.gz MWJQYYFYLDMYHS-UHFFFAOYSA-N 0 0 415.917 4.392 20 30 HIEDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000468988548 883054265 /nfs/dbraw/zinc/05/42/65/883054265.db2.gz LPWYDMJBORAYOY-OFNKIYASSA-N 0 0 401.466 4.419 20 30 HIEDRN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000463621578 876739081 /nfs/dbraw/zinc/73/90/81/876739081.db2.gz IAMGRWUANFOMFW-KRWDZBQOSA-N 0 0 407.489 4.143 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000463662622 876783914 /nfs/dbraw/zinc/78/39/14/876783914.db2.gz FVAKFSIKGRLQOY-IBGZPJMESA-N 0 0 418.927 4.350 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000463694595 876814421 /nfs/dbraw/zinc/81/44/21/876814421.db2.gz CTAKLLKIMCFYDK-VIFPVBQESA-N 0 0 403.262 4.052 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463714683 876833330 /nfs/dbraw/zinc/83/33/30/876833330.db2.gz CKKYLHXDXHUVOI-QZTJIDSGSA-N 0 0 400.400 4.149 20 30 HIEDRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463861915 876982024 /nfs/dbraw/zinc/98/20/24/876982024.db2.gz SZNMWJCNOGTTKD-UHFFFAOYSA-N 0 0 420.900 4.389 20 30 HIEDRN Cc1nc(SCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C#N)c(C)c1C ZINC000463922439 877042820 /nfs/dbraw/zinc/04/28/20/877042820.db2.gz WCFJGAKRKAJZNC-UHFFFAOYSA-N 0 0 412.946 4.464 20 30 HIEDRN C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Oc1ccccc1F ZINC000463934964 877054804 /nfs/dbraw/zinc/05/48/04/877054804.db2.gz UJADIIUFEDYRPE-QGZVFWFLSA-N 0 0 404.441 4.474 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cn(C3CCOCC3)nn2)c1 ZINC000463964155 877089793 /nfs/dbraw/zinc/08/97/93/877089793.db2.gz MQZHNFAIHDHTTH-UHFFFAOYSA-N 0 0 421.888 4.002 20 30 HIEDRN CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463986007 877119410 /nfs/dbraw/zinc/11/94/10/877119410.db2.gz BEZAXGZFNJRKSG-HIFRSBDPSA-N 0 0 413.465 4.210 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000464002364 877137586 /nfs/dbraw/zinc/13/75/86/877137586.db2.gz CMHNWQUOLGSPMS-UHFFFAOYSA-N 0 0 400.400 4.020 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc([S@@](C)=O)cc2)cc1C ZINC000464009266 877144330 /nfs/dbraw/zinc/14/43/30/877144330.db2.gz ZVDJCEAUONSPHM-GDLZYMKVSA-N 0 0 406.511 4.070 20 30 HIEDRN C=CCCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000464019969 877153511 /nfs/dbraw/zinc/15/35/11/877153511.db2.gz LPGJURXEIMJAIZ-UHFFFAOYSA-N 0 0 417.868 4.095 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000464048126 877188705 /nfs/dbraw/zinc/18/87/05/877188705.db2.gz IIJWXHQJZGIIQB-UHFFFAOYSA-N 0 0 416.387 4.483 20 30 HIEDRN CCN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000464049297 877190914 /nfs/dbraw/zinc/19/09/14/877190914.db2.gz VBJGHCRKPVWZMP-UHFFFAOYSA-N 0 0 407.514 4.279 20 30 HIEDRN CCCOc1c(Br)cc(C(=O)NCc2cc(C#N)ccc2F)cc1OC ZINC000464055152 877199830 /nfs/dbraw/zinc/19/98/30/877199830.db2.gz RPDFSCUGENVMHE-UHFFFAOYSA-N 0 0 421.266 4.187 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)CCc2nc3cc(Br)ccc3s2)c1 ZINC000464058459 877203229 /nfs/dbraw/zinc/20/32/29/877203229.db2.gz SFYVGKIWVHUFMK-UHFFFAOYSA-N 0 0 418.291 4.319 20 30 HIEDRN Cc1cccc(S(=O)(=O)CCCNc2ccccc2Oc2ncccc2C#N)c1 ZINC000464082598 877234090 /nfs/dbraw/zinc/23/40/90/877234090.db2.gz PBUXNSDCLCLBDF-UHFFFAOYSA-N 0 0 407.495 4.330 20 30 HIEDRN C[C@H](O)C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000469040963 883112463 /nfs/dbraw/zinc/11/24/63/883112463.db2.gz SUOBYQNJYYYVCK-CYFREDJKSA-N 0 0 414.505 4.422 20 30 HIEDRN CC[C@H](C#N)NC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000464118765 877273693 /nfs/dbraw/zinc/27/36/93/877273693.db2.gz WETBPUUMKHTAQS-MRXNPFEDSA-N 0 0 400.276 4.042 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)ccc1OCC(F)(F)F ZINC000464126285 877280671 /nfs/dbraw/zinc/28/06/71/877280671.db2.gz CXVBTQXNAGSKRJ-UHFFFAOYSA-N 0 0 417.387 4.344 20 30 HIEDRN CC(C)(C)[C@](C)(C#N)NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000464161423 877329262 /nfs/dbraw/zinc/32/92/62/877329262.db2.gz ZVXSBSVHOLKPJA-FQEVSTJZSA-N 0 0 415.335 4.182 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000464153246 877321996 /nfs/dbraw/zinc/32/19/96/877321996.db2.gz PIAPPHQKSRRHPF-UHFFFAOYSA-N 0 0 403.885 4.095 20 30 HIEDRN COc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC2CC2)c(OC)c1 ZINC000503241145 912220209 /nfs/dbraw/zinc/22/02/09/912220209.db2.gz IWQJZIBMLURSPN-UHFFFAOYSA-N 0 0 404.470 4.038 20 30 HIEDRN COCCOCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000464181090 877351943 /nfs/dbraw/zinc/35/19/43/877351943.db2.gz DLXXAEOILBIFEJ-HXUWFJFHSA-N 0 0 417.490 4.335 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(N4CCCNC4=O)c3)c2)cc1 ZINC000464199543 877371012 /nfs/dbraw/zinc/37/10/12/877371012.db2.gz OVKXALMZNOKFHI-UHFFFAOYSA-N 0 0 411.465 4.474 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 ZINC000464207584 877376730 /nfs/dbraw/zinc/37/67/30/877376730.db2.gz BHUPKSCVANUWMB-KRWDZBQOSA-N 0 0 413.499 4.177 20 30 HIEDRN N#Cc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)cc1 ZINC000464208292 877378661 /nfs/dbraw/zinc/37/86/61/877378661.db2.gz CJVVURYOMNYJQU-XMMPIXPASA-N 0 0 418.880 4.431 20 30 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C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000469220163 883321029 /nfs/dbraw/zinc/32/10/29/883321029.db2.gz LTYPAQLWHACVSH-UHFFFAOYSA-N 0 0 413.884 4.266 20 30 HIEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000469247930 883344953 /nfs/dbraw/zinc/34/49/53/883344953.db2.gz TVRDJPIAIGCPPM-UHFFFAOYSA-N 0 0 404.323 4.184 20 30 HIEDRN COc1ccc(NC(=O)C[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469318413 883421381 /nfs/dbraw/zinc/42/13/81/883421381.db2.gz OSHZGPAGCSDBOT-KRWDZBQOSA-N 0 0 420.513 4.107 20 30 HIEDRN C[C@@H](Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)C(=O)NC1(C#N)CCC1 ZINC000469354466 883475757 /nfs/dbraw/zinc/47/57/57/883475757.db2.gz XPBOOYDNRDYUDC-CQSZACIVSA-N 0 0 421.888 4.438 20 30 HIEDRN C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1ccc(Cl)cc1 ZINC000469355951 883477294 /nfs/dbraw/zinc/47/72/94/883477294.db2.gz ZPPWAQKDBVPQHB-HNNXBMFYSA-N 0 0 410.905 4.362 20 30 HIEDRN C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H]1n1ccnc1 ZINC000469381698 883519719 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4.024 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000470662224 885086041 /nfs/dbraw/zinc/08/60/41/885086041.db2.gz IPXWQVSCHKARDF-FCHUYYIVSA-N 0 0 400.482 4.247 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H](c2ccsc2)O1 ZINC000470692913 885129486 /nfs/dbraw/zinc/12/94/86/885129486.db2.gz IJLBVCUTKNFAEC-VFNWGFHPSA-N 0 0 408.479 4.394 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCc2nc(-c3cccs3)c[nH]2)o1 ZINC000470704204 885143727 /nfs/dbraw/zinc/14/37/27/885143727.db2.gz QNXJMJSEJCUPDH-UHFFFAOYSA-N 0 0 404.451 4.112 20 30 HIEDRN COc1ccc(-c2csc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)cc1F ZINC000470738307 885195746 /nfs/dbraw/zinc/19/57/46/885195746.db2.gz UDJULDIOVYGMFO-MRXNPFEDSA-N 0 0 406.442 4.150 20 30 HIEDRN COc1ccc(CCC2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000470744289 885207945 /nfs/dbraw/zinc/20/79/45/885207945.db2.gz GEWZVKNOJFWQKZ-QHCPKHFHSA-N 0 0 401.510 4.121 20 30 HIEDRN CCC(CC)n1nc(C)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470775136 885243669 /nfs/dbraw/zinc/24/36/69/885243669.db2.gz YDHANHGSUXCAAH-UHFFFAOYSA-N 0 0 407.518 4.388 20 30 HIEDRN CCn1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc21 ZINC000470790671 885269212 /nfs/dbraw/zinc/26/92/12/885269212.db2.gz VFSMMQMUGOFFRO-UHFFFAOYSA-N 0 0 400.482 4.496 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ncoc3-c3ccc(F)cc3)ccc21 ZINC000470790692 885269332 /nfs/dbraw/zinc/26/93/32/885269332.db2.gz VVCFCCPAKMTNKI-UHFFFAOYSA-N 0 0 418.428 4.316 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)CCc2ccccc2C(N)=O)cc1 ZINC000470834782 885325086 /nfs/dbraw/zinc/32/50/86/885325086.db2.gz WPSZUVAFJDTLLX-UHFFFAOYSA-N 0 0 413.477 4.002 20 30 HIEDRN COc1cc(Br)ccc1[C@H](C)NC(=O)CSCc1ccc(C#N)cc1 ZINC000470838284 885332135 /nfs/dbraw/zinc/33/21/35/885332135.db2.gz ATHWBWPDGPHEMC-ZDUSSCGKSA-N 0 0 419.344 4.440 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2-c2ccoc2)cc1 ZINC000470840925 885334739 /nfs/dbraw/zinc/33/47/39/885334739.db2.gz LXYRXOUJQVESKP-UHFFFAOYSA-N 0 0 414.458 4.145 20 30 HIEDRN CCCCOc1ccc([C@@H](C)NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1OC ZINC000470845889 885341963 /nfs/dbraw/zinc/34/19/63/885341963.db2.gz VOVHVXFPFFDDHP-DYESRHJHSA-N 0 0 405.498 4.305 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000470853048 885349684 /nfs/dbraw/zinc/34/96/84/885349684.db2.gz WUFUHJSCEIRDMT-UHFFFAOYSA-N 0 0 412.833 4.083 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470870587 885358308 /nfs/dbraw/zinc/35/83/08/885358308.db2.gz ZGOQOSHZFRCXNU-XMSQKQJNSA-N 0 0 414.509 4.202 20 30 HIEDRN CC[C@H](c1nnc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000470880407 885372382 /nfs/dbraw/zinc/37/23/82/885372382.db2.gz PTKZSVAHCHCYDB-MOPGFXCFSA-N 0 0 401.495 4.273 20 30 HIEDRN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471002734 885503329 /nfs/dbraw/zinc/50/33/29/885503329.db2.gz BABCPHKYCFGWHT-GCJKJVERSA-N 0 0 410.949 4.166 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000471004377 885504776 /nfs/dbraw/zinc/50/47/76/885504776.db2.gz CQAACMKGMZUICS-GOSISDBHSA-N 0 0 424.854 4.059 20 30 HIEDRN CCc1ccccc1NC(=O)[C@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006154 885507503 /nfs/dbraw/zinc/50/75/03/885507503.db2.gz MTRKGFABMJECQE-HTAPYJJXSA-N 0 0 410.949 4.112 20 30 HIEDRN Cc1cccc(NC(=O)[C@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000471005609 885507620 /nfs/dbraw/zinc/50/76/20/885507620.db2.gz HFPMGFLWQWZRDK-AVRDEDQJSA-N 0 0 410.949 4.166 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@@H](C)[C@@H]2c2ccccc2)c1C#N ZINC000471018938 885521384 /nfs/dbraw/zinc/52/13/84/885521384.db2.gz QFZYUSPXPYDOEM-WAIKUNEKSA-N 0 0 402.498 4.249 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)c1 ZINC000471021496 885527266 /nfs/dbraw/zinc/52/72/66/885527266.db2.gz JVKMGBFZYVMFGR-GCJKJVERSA-N 0 0 410.949 4.166 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)c1cc(I)ccc1Cl ZINC000471035137 885543449 /nfs/dbraw/zinc/54/34/49/885543449.db2.gz KDHGOKMFBOKAOX-UHFFFAOYSA-N 0 0 414.630 4.094 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc3cccc(Br)c3n2)cc1 ZINC000471053265 885568149 /nfs/dbraw/zinc/56/81/49/885568149.db2.gz NPMZAPFLHKBYQC-MRXNPFEDSA-N 0 0 405.255 4.190 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cccc1I ZINC000471054726 885569793 /nfs/dbraw/zinc/56/97/93/885569793.db2.gz AWPVCJIVNJEXIW-UHFFFAOYSA-N 0 0 420.225 4.130 20 30 HIEDRN Cn1cc(Nc2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)cn1 ZINC000471099410 885631204 /nfs/dbraw/zinc/63/12/04/885631204.db2.gz UKXDQSSIVZQMLE-UHFFFAOYSA-N 0 0 413.437 4.460 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000471128646 885666640 /nfs/dbraw/zinc/66/66/40/885666640.db2.gz DXAUYBQBFOPVML-UHFFFAOYSA-N 0 0 415.559 4.326 20 30 HIEDRN C[C@H](NC(=O)c1cc(I)ccc1Cl)c1ccc(C#N)cc1 ZINC000471139836 885683254 /nfs/dbraw/zinc/68/32/54/885683254.db2.gz LAXGWWMIADHCKL-JTQLQIEISA-N 0 0 410.642 4.307 20 30 HIEDRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471151567 885698761 /nfs/dbraw/zinc/69/87/61/885698761.db2.gz NEGMVXFBYHCCGJ-VIFPVBQESA-N 0 0 420.300 4.172 20 30 HIEDRN CCC(C)(C)N(CCC#N)C(=O)c1c(Cl)cccc1I ZINC000471171631 885729730 /nfs/dbraw/zinc/72/97/30/885729730.db2.gz APGYSICILACURM-UHFFFAOYSA-N 0 0 404.679 4.489 20 30 HIEDRN Cc1cc(C(=O)N2CCCc3cc(Br)ccc32)nn1-c1cccc(C#N)c1 ZINC000504071768 912974113 /nfs/dbraw/zinc/97/41/13/912974113.db2.gz BXOCMWRPJPMWLU-UHFFFAOYSA-N 0 0 421.298 4.408 20 30 HIEDRN C=CCc1cc(CNC(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(OC)c1OC ZINC000471176602 885741063 /nfs/dbraw/zinc/74/10/63/885741063.db2.gz KCKJSIMRNODAIJ-YWZLYKJASA-N 0 0 416.543 4.165 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)c1c(F)cccc1I ZINC000471209165 885781239 /nfs/dbraw/zinc/78/12/39/885781239.db2.gz ZHUAOLFROALNHK-UHFFFAOYSA-N 0 0 411.218 4.111 20 30 HIEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)c1ccc2sccc2c1 ZINC000471222376 885795682 /nfs/dbraw/zinc/79/56/82/885795682.db2.gz FSJZFMRBBRXRQM-UHFFFAOYSA-N 0 0 419.485 4.043 20 30 HIEDRN Cc1csc(C(=O)Nc2nc3c(cc2C#N)CCCC3)c1I ZINC000471223892 885797447 /nfs/dbraw/zinc/79/74/47/885797447.db2.gz UUOGKNGVDCSOSG-UHFFFAOYSA-N 0 0 423.279 4.059 20 30 HIEDRN COc1cc(CN(CCC#N)Cc2ccccn2)ccc1OCc1cccc(C#N)c1 ZINC000471236547 885811195 /nfs/dbraw/zinc/81/11/95/885811195.db2.gz XRGQZQRQQTZCNJ-UHFFFAOYSA-N 0 0 412.493 4.457 20 30 HIEDRN CS(=O)(=O)C1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CCCC1 ZINC000504073334 912976218 /nfs/dbraw/zinc/97/62/18/912976218.db2.gz RPEPTIWGXSILCV-UHFFFAOYSA-N 0 0 418.902 4.300 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)C2)n1 ZINC000471263214 885842785 /nfs/dbraw/zinc/84/27/85/885842785.db2.gz YQYBALXDDHXKSV-RXVVDRJESA-N 0 0 406.530 4.143 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(OC(F)(F)F)c3)C2)n1 ZINC000471287106 885870677 /nfs/dbraw/zinc/87/06/77/885870677.db2.gz HSAXHBDQKTUAHI-OAHLLOKOSA-N 0 0 404.392 4.015 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3N3CCCCCC3)C2)n1 ZINC000471290454 885875153 /nfs/dbraw/zinc/87/51/53/885875153.db2.gz YXUBTONMHLIKDS-NRFANRHFSA-N 0 0 417.557 4.497 20 30 HIEDRN CCc1ccc(CN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C2CC2)cc1 ZINC000471297065 885883481 /nfs/dbraw/zinc/88/34/81/885883481.db2.gz QADBBYCFDNPBLO-QFIPXVFZSA-N 0 0 402.542 4.232 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000471300087 885888160 /nfs/dbraw/zinc/88/81/60/885888160.db2.gz KEKKLLSRWNOZEN-YJBOKZPZSA-N 0 0 416.447 4.374 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)C2)n1 ZINC000471303749 885892711 /nfs/dbraw/zinc/89/27/11/885892711.db2.gz JOVKMADFYSJHBO-CVDCTZTESA-N 0 0 402.542 4.305 20 30 HIEDRN CC[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000504081103 912987602 /nfs/dbraw/zinc/98/76/02/912987602.db2.gz XLGKEYUTVQEARC-OAQYLSRUSA-N 0 0 403.482 4.279 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000504086906 912995335 /nfs/dbraw/zinc/99/53/35/912995335.db2.gz VEDDUHZWNCHTNY-HXUWFJFHSA-N 0 0 408.498 4.125 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(Br)cc3C)C2)n1 ZINC000471366396 886000850 /nfs/dbraw/zinc/00/08/50/886000850.db2.gz NCNIDLXSBGLEBP-INIZCTEOSA-N 0 0 413.319 4.188 20 30 HIEDRN CC[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](CC)CN1C(C)=O ZINC000471411909 886064080 /nfs/dbraw/zinc/06/40/80/886064080.db2.gz DJJZGPXZQLBEFY-VXKWHMMOSA-N 0 0 419.525 4.406 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCN(C)c4ccc(Cl)cc43)C2)n1 ZINC000471417862 886072172 /nfs/dbraw/zinc/07/21/72/886072172.db2.gz GRQRYYJNGXSWOS-SFHVURJKSA-N 0 0 423.948 4.005 20 30 HIEDRN C=CCn1c(SC[C@H](O)COc2cccc3[nH]ccc32)nnc1-c1cccc(C)c1 ZINC000471425360 886080927 /nfs/dbraw/zinc/08/09/27/886080927.db2.gz AUOCQISVBQAYEZ-GOSISDBHSA-N 0 0 420.538 4.453 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C)C2)n1 ZINC000471431062 886088425 /nfs/dbraw/zinc/08/84/25/886088425.db2.gz LIZRKUNXNUJIJO-MRXNPFEDSA-N 0 0 402.420 4.444 20 30 HIEDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)s1 ZINC000471437856 886099168 /nfs/dbraw/zinc/09/91/68/886099168.db2.gz VPIUTUACTQNULV-SJLPKXTDSA-N 0 0 411.575 4.025 20 30 HIEDRN Cc1ccccc1Cc1nc2ccccc2n1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000471483124 886180292 /nfs/dbraw/zinc/18/02/92/886180292.db2.gz IFXXJAYVEFWWBT-UHFFFAOYSA-N 0 0 415.518 4.281 20 30 HIEDRN COc1cc(NC(=O)CCCOc2ccc(C#N)cc2OC)ccc1Br ZINC000471493800 886194944 /nfs/dbraw/zinc/19/49/44/886194944.db2.gz SVISAKAQYQIYND-UHFFFAOYSA-N 0 0 419.275 4.136 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)C2)n1 ZINC000471522332 886226481 /nfs/dbraw/zinc/22/64/81/886226481.db2.gz XGJHIEZWRPBUGU-KAGYGMCKSA-N 0 0 406.505 4.070 20 30 HIEDRN Cc1ccc(CNC(=O)c2ccccc2NCc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000471616918 886333255 /nfs/dbraw/zinc/33/32/55/886333255.db2.gz DHTRTNRKIDBCGA-UHFFFAOYSA-N 0 0 423.476 4.459 20 30 HIEDRN N#Cc1cccc(-c2nnc(CNc3ccccc3C(=O)NCc3ccccc3)o2)c1 ZINC000471621689 886339334 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C=C[C@@](C)(CCOC)C(=O)NCc1cc(Br)ccc1Br ZINC000474199151 889038035 /nfs/dbraw/zinc/03/80/35/889038035.db2.gz ZXEKECVCFFVSSG-HNNXBMFYSA-N 0 0 405.130 4.057 20 30 HIEDRN C=CCN(C(=O)c1cc(-c2csc(C)n2)c[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000474202892 889040296 /nfs/dbraw/zinc/04/02/96/889040296.db2.gz XDGZILGSCVAUBJ-NRFANRHFSA-N 0 0 423.538 4.249 20 30 HIEDRN C=CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000474202490 889041103 /nfs/dbraw/zinc/04/11/03/889041103.db2.gz UPMXQWIPWWQUPL-FQEVSTJZSA-N 0 0 421.497 4.149 20 30 HIEDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000474207066 889044890 /nfs/dbraw/zinc/04/48/90/889044890.db2.gz BJZSASARIFYGIR-HNNXBMFYSA-N 0 0 404.297 4.478 20 30 HIEDRN C=CCN(C(=O)c1cccc([C@H]2CCCOC2)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000474217868 889057081 /nfs/dbraw/zinc/05/70/81/889057081.db2.gz GKNKKVZLYKKTBF-ZEQRLZLVSA-N 0 0 421.537 4.383 20 30 HIEDRN C=CCN(C(=O)[C@H]1CC12CCCC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000474224653 889065627 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889381045 /nfs/dbraw/zinc/38/10/45/889381045.db2.gz JTMIHLOHYAXYJJ-HSZRJFAPSA-N 0 0 413.477 4.370 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1noc(-c2ccccc2)n1 ZINC000474520837 889389453 /nfs/dbraw/zinc/38/94/53/889389453.db2.gz ZJQDVPHNXZIPFK-PWIZWCRZSA-N 0 0 401.470 4.279 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000474521770 889391326 /nfs/dbraw/zinc/39/13/26/889391326.db2.gz UVPIUCCGRLOQTM-CGTJXYLNSA-N 0 0 411.315 4.243 20 30 HIEDRN C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1c(F)cccc1Cl ZINC000474670808 889535889 /nfs/dbraw/zinc/53/58/89/889535889.db2.gz HGPKCIUAPXTMQH-HNNXBMFYSA-N 0 0 400.885 4.334 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C ZINC000474675132 889538642 /nfs/dbraw/zinc/53/86/42/889538642.db2.gz FIIPSQXLFXDETL-UHFFFAOYSA-N 0 0 401.401 4.407 20 30 HIEDRN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1C ZINC000474720341 889577048 /nfs/dbraw/zinc/57/70/48/889577048.db2.gz RHWLXMXAJOKSMH-WMLDXEAASA-N 0 0 411.433 4.153 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000474726015 889581815 /nfs/dbraw/zinc/58/18/15/889581815.db2.gz DGQQOEITESMXMR-MRXNPFEDSA-N 0 0 424.508 4.090 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474740924 889598012 /nfs/dbraw/zinc/59/80/12/889598012.db2.gz OFJQVHCOQREBJK-GDBMZVCRSA-N 0 0 423.948 4.454 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000474745837 889602177 /nfs/dbraw/zinc/60/21/77/889602177.db2.gz PRGCSLLOPRRNKO-MRXNPFEDSA-N 0 0 400.482 4.148 20 30 HIEDRN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000504613497 913368391 /nfs/dbraw/zinc/36/83/91/913368391.db2.gz RPAVFFNISJEPBD-LJQANCHMSA-N 0 0 419.554 4.244 20 30 HIEDRN O=C(NCCOC(F)(F)F)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000474828477 889684608 /nfs/dbraw/zinc/68/46/08/889684608.db2.gz IUFBHCNJPAADKY-VIFPVBQESA-N 0 0 414.224 4.024 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000474863810 889718591 /nfs/dbraw/zinc/71/85/91/889718591.db2.gz ZZHQGGBEKUMWPU-UHFFFAOYSA-N 0 0 420.517 4.189 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000474880419 889735186 /nfs/dbraw/zinc/73/51/86/889735186.db2.gz PULIHUWBWKUKNG-FQEVSTJZSA-N 0 0 421.415 4.493 20 30 HIEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000474902029 889761172 /nfs/dbraw/zinc/76/11/72/889761172.db2.gz MAJURIPZYHORAD-UHFFFAOYSA-N 0 0 413.543 4.077 20 30 HIEDRN N#CC[C@H](CC(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)c1ccccc1 ZINC000474913041 889772698 /nfs/dbraw/zinc/77/26/98/889772698.db2.gz SGLFNFBPVJAMAO-QGZVFWFLSA-N 0 0 402.429 4.499 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c(Cl)c1 ZINC000504631111 913383011 /nfs/dbraw/zinc/38/30/11/913383011.db2.gz VCUUOEBJXOHVBY-CQSZACIVSA-N 0 0 410.630 4.368 20 30 HIEDRN C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474979125 889833470 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HIEDRN Cc1ccc(Cl)c(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 ZINC000475036323 889889557 /nfs/dbraw/zinc/88/95/57/889889557.db2.gz XQAKSKZSBIAQQN-UHFFFAOYSA-N 0 0 408.893 4.042 20 30 HIEDRN COc1cc(C(=O)Nc2nn(C(C)C)cc2C#N)cc(OC)c1OCc1ccccc1 ZINC000475059051 889903887 /nfs/dbraw/zinc/90/38/87/889903887.db2.gz BKLFWQOCGKKNFF-UHFFFAOYSA-N 0 0 420.469 4.184 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000504650639 913394583 /nfs/dbraw/zinc/39/45/83/913394583.db2.gz QTVSEYUSVRCDJL-UHFFFAOYSA-N 0 0 414.531 4.339 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000475170453 890035418 /nfs/dbraw/zinc/03/54/18/890035418.db2.gz BJUNQQBCSZVNTK-QGZVFWFLSA-N 0 0 422.525 4.467 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC000504666664 913406631 /nfs/dbraw/zinc/40/66/31/913406631.db2.gz XDYLPONZKCJQLY-UHFFFAOYSA-N 0 0 408.889 4.137 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(CCC(=O)OC)cc1 ZINC000475180819 890050499 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4.359 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(COC2CCOCC2)c1 ZINC000486863739 901909624 /nfs/dbraw/zinc/90/96/24/901909624.db2.gz BLTSYERLYKXMPN-UHFFFAOYSA-N 0 0 417.427 4.183 20 30 HIEDRN COc1ccccc1-c1nc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[nH]1 ZINC000486899503 901942891 /nfs/dbraw/zinc/94/28/91/901942891.db2.gz JICSYNMGLMYAJX-UHFFFAOYSA-N 0 0 411.421 4.397 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C#N)c2ccccc2F)cc1C ZINC000505928342 914578903 /nfs/dbraw/zinc/57/89/03/914578903.db2.gz MQJWJEOPZXXIRT-NRFANRHFSA-N 0 0 401.445 4.214 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2ccccc2F)c1C(F)(F)F ZINC000505928756 914579041 /nfs/dbraw/zinc/57/90/41/914579041.db2.gz TWKNXJYKIXAFFB-INIZCTEOSA-N 0 0 402.351 4.333 20 30 HIEDRN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000486973145 901999447 /nfs/dbraw/zinc/99/94/47/901999447.db2.gz FBSFOHMJJIRSOP-JQVVWYNYSA-N 0 0 419.525 4.064 20 30 HIEDRN C=CCOc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1OC 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KMFARWBNYQLBHI-IRLDBZIGSA-N 0 0 404.514 4.482 20 30 HIEDRN N#Cc1ccc(C(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)s1 ZINC000487260845 902124079 /nfs/dbraw/zinc/12/40/79/902124079.db2.gz IDUXUHCLFAWKAO-UHFFFAOYSA-N 0 0 402.882 4.341 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000505943645 914596057 /nfs/dbraw/zinc/59/60/57/914596057.db2.gz XLZMNYQLEXFXJC-INIZCTEOSA-N 0 0 421.403 4.016 20 30 HIEDRN CC(C)Cn1ncc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1C(F)F ZINC000505947645 914600666 /nfs/dbraw/zinc/60/06/66/914600666.db2.gz JBISPRVYNGPLMH-AWEZNQCLSA-N 0 0 400.351 4.490 20 30 HIEDRN Cc1ccccc1[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000487424828 902203486 /nfs/dbraw/zinc/20/34/86/902203486.db2.gz FJQUTKWWTQFDEA-FCHUYYIVSA-N 0 0 418.541 4.054 20 30 HIEDRN N#CCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000487449970 902215119 /nfs/dbraw/zinc/21/51/19/902215119.db2.gz SIFQRQUTAYUYQH-JTHBVZDNSA-N 0 0 421.516 4.158 20 30 HIEDRN N#C[C@@H](NC(=O)CN1c2ccccc2CCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000505948974 914604056 /nfs/dbraw/zinc/60/40/56/914604056.db2.gz RAESFFCJZKQALO-QGZVFWFLSA-N 0 0 402.281 4.044 20 30 HIEDRN CCCCN1C(=O)c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2C1=O ZINC000487515576 902231563 /nfs/dbraw/zinc/23/15/63/902231563.db2.gz OLHBBXXDBSMOIE-NRFANRHFSA-N 0 0 403.482 4.248 20 30 HIEDRN C[C@H]1Sc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2NC1=O ZINC000505954715 914607622 /nfs/dbraw/zinc/60/76/22/914607622.db2.gz PQNWNNZOJUOWNA-BMIGLBTASA-N 0 0 405.401 4.133 20 30 HIEDRN N#C[C@@H](NC(=O)c1ncccc1OCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000505954140 914607836 /nfs/dbraw/zinc/60/78/36/914607836.db2.gz LZVOXTCMCPEBHG-GFCCVEGCSA-N 0 0 404.175 4.324 20 30 HIEDRN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000487655745 902276816 /nfs/dbraw/zinc/27/68/16/902276816.db2.gz MWAQCEODYWAGGG-UHFFFAOYSA-N 0 0 415.453 4.448 20 30 HIEDRN COc1ccc(CCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000505955395 914610291 /nfs/dbraw/zinc/61/02/91/914610291.db2.gz WFJPFYVUIBBJQR-INIZCTEOSA-N 0 0 422.403 4.045 20 30 HIEDRN N#CCc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2I)c1 ZINC000505957972 914612678 /nfs/dbraw/zinc/61/26/78/914612678.db2.gz ADLRYZZIONOEEN-GOSISDBHSA-N 0 0 416.262 4.335 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@](C)(O)C(C)C ZINC000487728425 902321627 /nfs/dbraw/zinc/32/16/27/902321627.db2.gz UDFBJWOGBGZZGJ-JOCHJYFZSA-N 0 0 415.559 4.162 20 30 HIEDRN N#C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 ZINC000505959927 914615233 /nfs/dbraw/zinc/61/52/33/914615233.db2.gz KRRAJIJBHNMRPY-INIZCTEOSA-N 0 0 401.253 4.357 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C#N)c3ccccc3F)s2)cc1 ZINC000505960179 914618657 /nfs/dbraw/zinc/61/86/57/914618657.db2.gz MVQMMQAWHCQZOK-KRWDZBQOSA-N 0 0 409.442 4.143 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000487834409 902396937 /nfs/dbraw/zinc/39/69/37/902396937.db2.gz JENRXKJGWWVBFE-UHFFFAOYSA-N 0 0 421.545 4.078 20 30 HIEDRN CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487843368 902401838 /nfs/dbraw/zinc/40/18/38/902401838.db2.gz UGELGALTUDLDLS-UHFFFAOYSA-N 0 0 415.291 4.381 20 30 HIEDRN Cc1cnc(C2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)CC2)s1 ZINC000487861814 902413180 /nfs/dbraw/zinc/41/31/80/902413180.db2.gz YJPDULQOPFOWKY-UHFFFAOYSA-N 0 0 405.321 4.497 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)cc1Br ZINC000487876032 902421168 /nfs/dbraw/zinc/42/11/68/902421168.db2.gz HZMSYAIMAKGDHU-UHFFFAOYSA-N 0 0 414.307 4.028 20 30 HIEDRN Cc1csc(N2CCC(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000505964843 914625056 /nfs/dbraw/zinc/62/50/56/914625056.db2.gz FRUVYDRFEFLWFW-INIZCTEOSA-N 0 0 408.449 4.068 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1Br ZINC000487895049 902436396 /nfs/dbraw/zinc/43/63/96/902436396.db2.gz IVUVDPLRWKWTCS-INIZCTEOSA-N 0 0 410.275 4.149 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1Br ZINC000487895050 902436426 /nfs/dbraw/zinc/43/64/26/902436426.db2.gz IVUVDPLRWKWTCS-MRXNPFEDSA-N 0 0 410.275 4.149 20 30 HIEDRN CC(C)[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1nc(C2CC2)no1 ZINC000487897939 902437056 /nfs/dbraw/zinc/43/70/56/902437056.db2.gz OZNJILNRCONNNN-CQSZACIVSA-N 0 0 404.268 4.100 20 30 HIEDRN Cc1nc(Sc2nnc(N3C[C@H](C)C[C@H](C)C3)n2Cc2ccco2)ccc1C#N ZINC000487907974 902444236 /nfs/dbraw/zinc/44/42/36/902444236.db2.gz JFNXOHNWTCWIFH-GASCZTMLSA-N 0 0 408.531 4.128 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2c(F)cc(F)c(F)c2F)cc1Br ZINC000487933300 902463434 /nfs/dbraw/zinc/46/34/34/902463434.db2.gz IRGTTXADBFYEET-UHFFFAOYSA-N 0 0 402.145 4.199 20 30 HIEDRN CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc(C#N)c(C)n3)cc2)cc1 ZINC000487933893 902463556 /nfs/dbraw/zinc/46/35/56/902463556.db2.gz MZUOLPANCIHWDB-UHFFFAOYSA-N 0 0 423.494 4.278 20 30 HIEDRN CCOc1cccc2c1OCC(C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)=C2 ZINC000505966746 914627665 /nfs/dbraw/zinc/62/76/65/914627665.db2.gz VFRYLLOGVLMLOG-QGZVFWFLSA-N 0 0 402.372 4.261 20 30 HIEDRN N#C[C@H](NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2)C1CC1 ZINC000505967105 914627689 /nfs/dbraw/zinc/62/76/89/914627689.db2.gz ZXGIOJYOMUUAFV-RKPWUKJMSA-N 0 0 423.472 4.482 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1Br ZINC000487982952 902505928 /nfs/dbraw/zinc/50/59/28/902505928.db2.gz JBLTZUUCYSNCJL-QGZVFWFLSA-N 0 0 422.229 4.204 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1Br ZINC000487993630 902515635 /nfs/dbraw/zinc/51/56/35/902515635.db2.gz NQDUMKWZEGEMDO-MRXNPFEDSA-N 0 0 414.303 4.391 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000487997744 902519751 /nfs/dbraw/zinc/51/97/51/902519751.db2.gz SQZXJZXNFQQFBE-JOCHJYFZSA-N 0 0 400.453 4.477 20 30 HIEDRN COc1cc(CN(C)C(=O)Nc2ccc(C#N)c(Br)c2)cc(OC)c1 ZINC000488005176 902525680 /nfs/dbraw/zinc/52/56/80/902525680.db2.gz IKEAPWFYWZRWCH-UHFFFAOYSA-N 0 0 404.264 4.002 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000505970730 914632964 /nfs/dbraw/zinc/63/29/64/914632964.db2.gz KLRARZSQGAEWFL-CYBMUJFWSA-N 0 0 403.282 4.036 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000488010014 902528529 /nfs/dbraw/zinc/52/85/29/902528529.db2.gz PEUXEPYGTZLYQC-QHCPKHFHSA-N 0 0 402.425 4.066 20 30 HIEDRN N#Cc1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1Br ZINC000488011512 902531381 /nfs/dbraw/zinc/53/13/81/902531381.db2.gz YMQFXTZZESOUPH-INIZCTEOSA-N 0 0 402.248 4.132 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000505971138 914633366 /nfs/dbraw/zinc/63/33/66/914633366.db2.gz MWDPQJAIKYBPRG-CABCVRRESA-N 0 0 408.310 4.041 20 30 HIEDRN N#C[C@H](NC(=O)CCSc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 ZINC000505976043 914638038 /nfs/dbraw/zinc/63/80/38/914638038.db2.gz JWUOKGADLNQIDX-INIZCTEOSA-N 0 0 422.428 4.340 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCCN(C(=O)c4cccc(Cl)c4)CC3)c2c1 ZINC000488075418 902585873 /nfs/dbraw/zinc/58/58/73/902585873.db2.gz KSQGKSCCXHXAHP-UHFFFAOYSA-N 0 0 404.901 4.421 20 30 HIEDRN N#C[C@H](NC(=O)c1ccccc1OC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000505978204 914640747 /nfs/dbraw/zinc/64/07/47/914640747.db2.gz ZLZWMOICNKBOTB-WMZOPIPTSA-N 0 0 404.388 4.258 20 30 HIEDRN N#C[C@H](NC(=O)c1ccccc1OC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1 ZINC000505978201 914641155 /nfs/dbraw/zinc/64/11/55/914641155.db2.gz ZLZWMOICNKBOTB-AEFFLSMTSA-N 0 0 404.388 4.258 20 30 HIEDRN N#CC1(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCCCO2)CCCCC1 ZINC000488137577 902633420 /nfs/dbraw/zinc/63/34/20/902633420.db2.gz UVZMTBQXYUAUGY-QGZVFWFLSA-N 0 0 405.926 4.042 20 30 HIEDRN CC(C)(NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000488158228 902652700 /nfs/dbraw/zinc/65/27/00/902652700.db2.gz DTRBEHCJRJSOAW-UHFFFAOYSA-N 0 0 405.376 4.200 20 30 HIEDRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488164364 902657299 /nfs/dbraw/zinc/65/72/99/902657299.db2.gz GOEGCVZSZHVYFX-GDLZYMKVSA-N 0 0 404.491 4.360 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000488173871 902662879 /nfs/dbraw/zinc/66/28/79/902662879.db2.gz DIAMNWGPPPDBOS-CQSZACIVSA-N 0 0 403.910 4.048 20 30 HIEDRN COCc1ccccc1CNC(=O)CNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488200027 902682030 /nfs/dbraw/zinc/68/20/30/902682030.db2.gz XYKRGSIPBMLWFX-UHFFFAOYSA-N 0 0 401.466 4.225 20 30 HIEDRN Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c12 ZINC000505983082 914648247 /nfs/dbraw/zinc/64/82/47/914648247.db2.gz YGTFXXRRPMIWQO-MRXNPFEDSA-N 0 0 400.360 4.422 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505985366 914650945 /nfs/dbraw/zinc/65/09/45/914650945.db2.gz AAZFKZGQTYLXHR-HKUYNNGSSA-N 0 0 401.388 4.362 20 30 HIEDRN N#Cc1cnc2c(F)cc(F)cc2c1NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000488249561 902722996 /nfs/dbraw/zinc/72/29/96/902722996.db2.gz CVERQBPJUJAYLF-UHFFFAOYSA-N 0 0 420.463 4.420 20 30 HIEDRN N#Cc1c(F)cccc1COc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000488285041 902748172 /nfs/dbraw/zinc/74/81/72/902748172.db2.gz MASWCXYRCCJJPS-UHFFFAOYSA-N 0 0 402.179 4.495 20 30 HIEDRN N#Cc1ccc([C@H](N[C@H](CC2CC2)c2cc(F)cc(Br)c2)C(N)=O)cc1 ZINC000488326377 902765028 /nfs/dbraw/zinc/76/50/28/902765028.db2.gz DEGMNCFJKUVDLO-MOPGFXCFSA-N 0 0 416.294 4.117 20 30 HIEDRN C=CC[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccccc1 ZINC000488333470 902769975 /nfs/dbraw/zinc/76/99/75/902769975.db2.gz OKXYAPTYVBYTDK-KRWDZBQOSA-N 0 0 404.919 4.178 20 30 HIEDRN C=CC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000488335421 902771145 /nfs/dbraw/zinc/77/11/45/902771145.db2.gz XXCJLWPBRMUTQY-GOSISDBHSA-N 0 0 400.881 4.123 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000488373678 902786756 /nfs/dbraw/zinc/78/67/56/902786756.db2.gz ODQOZYIQHCSSGP-LJQANCHMSA-N 0 0 401.894 4.107 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)N[C@H](CCc3ccccc3)C(F)(F)F)CCO2)c1 ZINC000488389151 902800433 /nfs/dbraw/zinc/80/04/33/902800433.db2.gz YKNDGZMOYLSDJW-VQTJNVASSA-N 0 0 417.431 4.205 20 30 HIEDRN C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000488425731 902821360 /nfs/dbraw/zinc/82/13/60/902821360.db2.gz UQKSFILGGUTENO-CYBMUJFWSA-N 0 0 403.404 4.408 20 30 HIEDRN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)SCc2ccc(F)cc2C#N)c1 ZINC000488463396 902837688 /nfs/dbraw/zinc/83/76/88/902837688.db2.gz ZJWBURIBPODOOD-UONOGXRCSA-N 0 0 402.491 4.214 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000488476589 902845340 /nfs/dbraw/zinc/84/53/40/902845340.db2.gz GZQGPCWKKCQJJI-GOSISDBHSA-N 0 0 405.564 4.212 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000488479432 902846646 /nfs/dbraw/zinc/84/66/46/902846646.db2.gz FYCLNOHWHRIAGV-SFHVURJKSA-N 0 0 415.902 4.464 20 30 HIEDRN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000488500072 902856933 /nfs/dbraw/zinc/85/69/33/902856933.db2.gz OWQSTAHUCNQAFW-BLVKFPJESA-N 0 0 406.288 4.456 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)ccc1F ZINC000488721456 902964515 /nfs/dbraw/zinc/96/45/15/902964515.db2.gz CKSQROJVNFGESA-NRFANRHFSA-N 0 0 408.454 4.166 20 30 HIEDRN COc1cccc2sc(NC(=O)CSc3nc(C(F)(F)F)ccc3C#N)nc21 ZINC000488739848 902975108 /nfs/dbraw/zinc/97/51/08/902975108.db2.gz XDKYZYQYMRHLGU-UHFFFAOYSA-N 0 0 424.429 4.321 20 30 HIEDRN CC(C)c1nnc(CCNc2c(C#N)cnc3c(Br)cccc32)s1 ZINC000488750929 902980394 /nfs/dbraw/zinc/98/03/94/902980394.db2.gz HWJPALQXLQLZBU-UHFFFAOYSA-N 0 0 402.321 4.498 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000488761706 902983126 /nfs/dbraw/zinc/98/31/26/902983126.db2.gz POPHSOZWDGKCPO-UHFFFAOYSA-N 0 0 418.368 4.130 20 30 HIEDRN CN(C(=O)CSc1nc(C(F)(F)F)ccc1C#N)c1nc2ccccc2s1 ZINC000488761290 902983175 /nfs/dbraw/zinc/98/31/75/902983175.db2.gz GFBALYPVIOKBRV-UHFFFAOYSA-N 0 0 408.430 4.337 20 30 HIEDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000488777844 902993697 /nfs/dbraw/zinc/99/36/97/902993697.db2.gz HFISKITWFQGCHP-JTQLQIEISA-N 0 0 415.387 4.090 20 30 HIEDRN COCCn1cc2c(n1)[C@H](NC(=O)Nc1cccc(C#Cc3ccccc3)c1)CCC2 ZINC000506008228 914681371 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HIEDRN C=CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccn1 ZINC000488910330 903073260 /nfs/dbraw/zinc/07/32/60/903073260.db2.gz CQKDEWHMNLFUFI-LJQANCHMSA-N 0 0 407.543 4.306 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)OC)c2cccc(Cl)c2)nnc1-c1ccccn1 ZINC000488914641 903073901 /nfs/dbraw/zinc/07/39/01/903073901.db2.gz UMSMOZOXVHTAFK-INIZCTEOSA-N 0 0 400.891 4.186 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2cccc3ncccc32)nnc1-c1ccccn1 ZINC000488917918 903074962 /nfs/dbraw/zinc/07/49/62/903074962.db2.gz NAJWKTZWIFPJDP-HNNXBMFYSA-N 0 0 416.510 4.194 20 30 HIEDRN Cc1cc(Br)c2c(c1)CN(C(=O)NCc1cc(C#N)ccc1F)CC2 ZINC000488931734 903082295 /nfs/dbraw/zinc/08/22/95/903082295.db2.gz HOJSAYZVKAVDLC-UHFFFAOYSA-N 0 0 402.267 4.036 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)ccc1F ZINC000488966815 903099505 /nfs/dbraw/zinc/09/95/05/903099505.db2.gz GFTFFVOCNGBWDA-FQEVSTJZSA-N 0 0 419.481 4.289 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCS[C@H]3COCC[C@H]32)c1 ZINC000488997556 903111374 /nfs/dbraw/zinc/11/13/74/903111374.db2.gz STBDDPFTTXGJES-QUCCMNQESA-N 0 0 414.914 4.350 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c1 ZINC000488997557 903111865 /nfs/dbraw/zinc/11/18/65/903111865.db2.gz STBDDPFTTXGJES-UYAOXDASSA-N 0 0 414.914 4.350 20 30 HIEDRN CC(C)(C)c1noc(CCCC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)n1 ZINC000489068761 903172250 /nfs/dbraw/zinc/17/22/50/903172250.db2.gz KJINZMNREAQKHG-UHFFFAOYSA-N 0 0 408.424 4.153 20 30 HIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000489094003 903191982 /nfs/dbraw/zinc/19/19/82/903191982.db2.gz KFKPBPPDZIGIII-UHFFFAOYSA-N 0 0 417.309 4.099 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)NCCc3cccc(C(F)(F)F)n3)cc2)nc1 ZINC000489195616 903255322 /nfs/dbraw/zinc/25/53/22/903255322.db2.gz HYROUGPXLXTALZ-UHFFFAOYSA-N 0 0 412.371 4.132 20 30 HIEDRN Cc1ncc(S(=O)(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000489246729 903284660 /nfs/dbraw/zinc/28/46/60/903284660.db2.gz IQFDZFWXOXKQFG-SFHVURJKSA-N 0 0 409.433 4.196 20 30 HIEDRN CCNC(=O)C1(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCC1 ZINC000489366594 903347245 /nfs/dbraw/zinc/34/72/45/903347245.db2.gz XSVMDUYLXRVCNK-UHFFFAOYSA-N 0 0 411.889 4.040 20 30 HIEDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000489381262 903355177 /nfs/dbraw/zinc/35/51/77/903355177.db2.gz SWJDCJBEDHYODZ-VQIMIIECSA-N 0 0 410.518 4.450 20 30 HIEDRN CCN(CCC#N)C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000489389855 903360655 /nfs/dbraw/zinc/36/06/55/903360655.db2.gz KNINVCQUTADBDT-UHFFFAOYSA-N 0 0 405.527 4.097 20 30 HIEDRN C=C(C)Cn1c(S[C@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1ccncc1 ZINC000489402235 903369735 /nfs/dbraw/zinc/36/97/35/903369735.db2.gz YVKNXJCJBQGXIR-QGZVFWFLSA-N 0 0 407.543 4.055 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nnc1-c1cccs1 ZINC000489424729 903376788 /nfs/dbraw/zinc/37/67/88/903376788.db2.gz JPARSFWESQBLCD-QGZVFWFLSA-N 0 0 413.572 4.021 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)c2cccc(OC(F)F)c2)nnc1-c1ccncc1 ZINC000489427245 903378876 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HIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccccc3F)o2)cc1 ZINC000489809795 903607454 /nfs/dbraw/zinc/60/74/54/903607454.db2.gz VYFJNQVHZKNJNX-UHFFFAOYSA-N 0 0 413.474 4.191 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H]3CCN(c4ccc(C#N)cc4)C3=O)o2)cc1 ZINC000489810799 903607545 /nfs/dbraw/zinc/60/75/45/903607545.db2.gz RIUOIVBSVUSNCK-IBGZPJMESA-N 0 0 418.478 4.071 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccc(C)cc3)o2)cc1 ZINC000489818649 903613492 /nfs/dbraw/zinc/61/34/92/903613492.db2.gz ODMGKAPRWKSHIL-INIZCTEOSA-N 0 0 409.511 4.407 20 30 HIEDRN O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CCC(CC(F)(F)F)CC1 ZINC000489850602 903631036 /nfs/dbraw/zinc/63/10/36/903631036.db2.gz GEDYRSXKZFDGHW-UHFFFAOYSA-N 0 0 409.323 4.077 20 30 HIEDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000489913828 903670309 /nfs/dbraw/zinc/67/03/09/903670309.db2.gz IFFMHKJJFRYARM-GOSISDBHSA-N 0 0 407.539 4.088 20 30 HIEDRN CCOc1cc2c(cc1OCC)CN(C(=O)C1(c3cc(F)cc(C#N)c3)CC1)CC2 ZINC000506045694 914739008 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CC(C)N1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490330010 903917026 /nfs/dbraw/zinc/91/70/26/903917026.db2.gz YJKPSKOUAOKBMK-YADHBBJMSA-N 0 0 409.480 4.208 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(Cc3ccc(Br)c4cccnc34)CCO2)c1 ZINC000490353759 903947063 /nfs/dbraw/zinc/94/70/63/903947063.db2.gz HKWVZYIONLPGPT-FQEVSTJZSA-N 0 0 408.299 4.442 20 30 HIEDRN COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000490383087 903973950 /nfs/dbraw/zinc/97/39/50/903973950.db2.gz YHBGRXVIPKUQQU-FQEVSTJZSA-N 0 0 411.889 4.303 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)c(Cl)c1 ZINC000490389843 903978402 /nfs/dbraw/zinc/97/84/02/903978402.db2.gz MJKNTYICTOETQZ-UHFFFAOYSA-N 0 0 405.841 4.259 20 30 HIEDRN CC(C)(C)OC(=O)CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000490403202 903987558 /nfs/dbraw/zinc/98/75/58/903987558.db2.gz RCKNGFRYQVUJRT-UHFFFAOYSA-N 0 0 409.486 4.185 20 30 HIEDRN CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000490410879 903993813 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4.076 20 30 HIEDRN CN(C(=O)CNc1cc(Cl)ccc1OCC(F)(F)F)C1(C#N)CCCCC1 ZINC000506069473 914775821 /nfs/dbraw/zinc/77/58/21/914775821.db2.gz BTVHWXLXMUDSJD-UHFFFAOYSA-N 0 0 403.832 4.378 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)c(Cl)c1 ZINC000490513260 904063169 /nfs/dbraw/zinc/06/31/69/904063169.db2.gz KBNUMULBURXZRU-NRFANRHFSA-N 0 0 421.859 4.389 20 30 HIEDRN CC1(C)Cc2ccc(Br)cc2[C@@H]1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000490566175 904105543 /nfs/dbraw/zinc/10/55/43/904105543.db2.gz GQPQGOSWHFWRQF-SFHVURJKSA-N 0 0 419.344 4.064 20 30 HIEDRN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000490573935 904111504 /nfs/dbraw/zinc/11/15/04/904111504.db2.gz YUTATKVKPAJBKA-QAPCUYQASA-N 0 0 400.887 4.323 20 30 HIEDRN COc1ccc(Br)c(CC(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000490601493 904128629 /nfs/dbraw/zinc/12/86/29/904128629.db2.gz MFTAVZZBNYHJDU-UHFFFAOYSA-N 0 0 403.276 4.321 20 30 HIEDRN CC(C)(C)C(=O)NCCCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000490625484 904143772 /nfs/dbraw/zinc/14/37/72/904143772.db2.gz FFPQMHWEGMKSND-UHFFFAOYSA-N 0 0 407.514 4.213 20 30 HIEDRN Cc1ccc(C2(CNC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CCCC2)c(C)c1 ZINC000490672179 904166360 /nfs/dbraw/zinc/16/63/60/904166360.db2.gz IUEIGOKDTRGQCU-UHFFFAOYSA-N 0 0 420.557 4.298 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)c1 ZINC000490753621 904208964 /nfs/dbraw/zinc/20/89/64/904208964.db2.gz VMLDZFLJSAZEOI-QGZVFWFLSA-N 0 0 418.488 4.134 20 30 HIEDRN CCC(C)(C)OCc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C ZINC000490756278 904211946 /nfs/dbraw/zinc/21/19/46/904211946.db2.gz ZMCRLAZLKRZLPD-QGZVFWFLSA-N 0 0 407.514 4.388 20 30 HIEDRN CCn1c(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)nc2cc(C#N)ccc21 ZINC000490772662 904223688 /nfs/dbraw/zinc/22/36/88/904223688.db2.gz WUGYWWBAMRLYOI-ZDUSSCGKSA-N 0 0 407.499 4.006 20 30 HIEDRN CCn1c(NC(=O)Cc2cccc(OCC(F)(F)F)c2)nc2cc(C#N)ccc21 ZINC000490771198 904224506 /nfs/dbraw/zinc/22/45/06/904224506.db2.gz FRWQGQNVBRDQDZ-UHFFFAOYSA-N 0 0 402.376 4.050 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000490792227 904236963 /nfs/dbraw/zinc/23/69/63/904236963.db2.gz FLKGVONZSNYCNQ-UHFFFAOYSA-N 0 0 405.498 4.164 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000490793930 904239949 /nfs/dbraw/zinc/23/99/49/904239949.db2.gz MZRRRYQBQHDPNO-UHFFFAOYSA-N 0 0 416.460 4.051 20 30 HIEDRN CCn1c(NC(=O)c2ccc(COc3ccccc3OC)o2)nc2cc(C#N)ccc21 ZINC000490795078 904242766 /nfs/dbraw/zinc/24/27/66/904242766.db2.gz OJTLPQMXYTXPRY-UHFFFAOYSA-N 0 0 416.437 4.361 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000490816227 904261263 /nfs/dbraw/zinc/26/12/63/904261263.db2.gz BJJXONISEHNGGW-UHFFFAOYSA-N 0 0 402.433 4.122 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N1CCc2ccc(Br)cc21 ZINC000490867504 904295798 /nfs/dbraw/zinc/29/57/98/904295798.db2.gz FFNACONAXDQJNG-UHFFFAOYSA-N 0 0 416.344 4.326 20 30 HIEDRN COc1cc(OC)c(NC(=O)c2cccc(SCC#N)c2)cc1Br ZINC000490956154 904335025 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20 30 HIEDRN O=C(CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)Nc1cc(F)cc(F)c1 ZINC000491369679 904561921 /nfs/dbraw/zinc/56/19/21/904561921.db2.gz WBKSGHVOEJHZEM-OAHLLOKOSA-N 0 0 410.289 4.398 20 30 HIEDRN O=C(CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)Nc1ccc(F)c(F)c1 ZINC000491379005 904567575 /nfs/dbraw/zinc/56/75/75/904567575.db2.gz GSOAWOPRFUPLKA-OAHLLOKOSA-N 0 0 410.289 4.398 20 30 HIEDRN C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000491429752 904592056 /nfs/dbraw/zinc/59/20/56/904592056.db2.gz IIFUZVFXAZSWFY-GFCCVEGCSA-N 0 0 423.822 4.479 20 30 HIEDRN Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000491479548 904617194 /nfs/dbraw/zinc/61/71/94/904617194.db2.gz MTKIGTCMEXYKPA-VGOFRKELSA-N 0 0 401.466 4.466 20 30 HIEDRN N#Cc1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)C4CCCCC4)c3)CC2)cc1 ZINC000491503243 904627683 /nfs/dbraw/zinc/62/76/83/904627683.db2.gz AOGVJCNJQHHHGD-UHFFFAOYSA-N 0 0 408.523 4.335 20 30 HIEDRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000491576668 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Cc1ccc2nc(SCc3cc(C#N)ccc3Br)n(C)c(=O)c2c1 ZINC000492153730 904806896 /nfs/dbraw/zinc/80/68/96/904806896.db2.gz RGURVJONAKOSEI-UHFFFAOYSA-N 0 0 400.301 4.168 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000506208853 914845002 /nfs/dbraw/zinc/84/50/02/914845002.db2.gz UAKYDOQHRMGRLC-UHFFFAOYSA-N 0 0 417.943 4.390 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](C(F)(F)F)c4ccccc43)CC2)o1 ZINC000492286662 904828691 /nfs/dbraw/zinc/82/86/91/904828691.db2.gz BCUGBUFMJIDSCB-MRXNPFEDSA-N 0 0 418.419 4.154 20 30 HIEDRN N#Cc1ccc(Br)c(CS(=O)(=O)c2nc(-c3ccccc3)cs2)c1 ZINC000492332078 904835972 /nfs/dbraw/zinc/83/59/72/904835972.db2.gz FYOBDEKKJCYFLD-UHFFFAOYSA-N 0 0 419.325 4.418 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H](CCO)C(C)C ZINC000492378023 904841073 /nfs/dbraw/zinc/84/10/73/904841073.db2.gz XCFMHAYEDSPONE-GOSISDBHSA-N 0 0 415.559 4.162 20 30 HIEDRN CN(Cc1cc(C#N)ccc1Br)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000492457468 904851753 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CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000498361791 907857888 /nfs/dbraw/zinc/85/78/88/907857888.db2.gz WWEJYXYFTYTSMW-MRXNPFEDSA-N 0 0 402.491 4.126 20 30 HIEDRN CCCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000498362779 907858032 /nfs/dbraw/zinc/85/80/32/907858032.db2.gz KADITXOZBFJSKJ-JOCHJYFZSA-N 0 0 424.566 4.174 20 30 HIEDRN CCc1nc(C(=O)Nc2cc(C#N)ccc2OC(C)C)nn1-c1ccccc1Cl ZINC000498368245 907861966 /nfs/dbraw/zinc/86/19/66/907861966.db2.gz WGKOZEQUVRQHIO-UHFFFAOYSA-N 0 0 409.877 4.394 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000512854395 921359203 /nfs/dbraw/zinc/35/92/03/921359203.db2.gz BAYNDODJAPVXCQ-UHFFFAOYSA-N 0 0 411.417 4.010 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000498384823 907872567 /nfs/dbraw/zinc/87/25/67/907872567.db2.gz KPEXLWRUQBANBA-UHFFFAOYSA-N 0 0 401.894 4.237 20 30 HIEDRN C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(Oc2cccnc2)cc1 ZINC000498393093 907876998 /nfs/dbraw/zinc/87/69/98/907876998.db2.gz XOOPSXIDPOVNBZ-QGZVFWFLSA-N 0 0 402.454 4.185 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000498415899 907890818 /nfs/dbraw/zinc/89/08/18/907890818.db2.gz UGMRAXLOSYFWQJ-UHFFFAOYSA-N 0 0 424.524 4.119 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000498448256 907911697 /nfs/dbraw/zinc/91/16/97/907911697.db2.gz HHKDMJGLXHVAOM-IBGZPJMESA-N 0 0 407.539 4.072 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000498464418 907931921 /nfs/dbraw/zinc/93/19/21/907931921.db2.gz ZZJHOCLBEJJGJN-UHFFFAOYSA-N 0 0 409.461 4.028 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000498468524 907936984 /nfs/dbraw/zinc/93/69/84/907936984.db2.gz ZNIJDPCTZPYIKI-KRWDZBQOSA-N 0 0 411.461 4.167 20 30 HIEDRN CCCCCC(=O)NC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000498475055 907943675 /nfs/dbraw/zinc/94/36/75/907943675.db2.gz CZYUUVPTDFHFAP-UHFFFAOYSA-N 0 0 423.513 4.031 20 30 HIEDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCC#N)Cc1ccccn1 ZINC000498537005 908005206 /nfs/dbraw/zinc/00/52/06/908005206.db2.gz PAFWZJYDJTYCJN-ZDUSSCGKSA-N 0 0 422.710 4.207 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000498538121 908005484 /nfs/dbraw/zinc/00/54/84/908005484.db2.gz KSIKDAWCDNKKGD-UHFFFAOYSA-N 0 0 415.896 4.241 20 30 HIEDRN CC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H](O)C(F)(F)F ZINC000498555246 908016198 /nfs/dbraw/zinc/01/61/98/908016198.db2.gz KZCWUMHDDWOPOO-WBVHZDCISA-N 0 0 412.795 4.436 20 30 HIEDRN C=CCn1cccc1C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000498562111 908023725 /nfs/dbraw/zinc/02/37/25/908023725.db2.gz BWDAPDOYILENOZ-UHFFFAOYSA-N 0 0 421.310 4.097 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000498584690 908037746 /nfs/dbraw/zinc/03/77/46/908037746.db2.gz SDPJVKOVJOHVLD-VWLOTQADSA-N 0 0 415.493 4.335 20 30 HIEDRN COc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)c(OC2CCCC2)c1 ZINC000498596123 908045406 /nfs/dbraw/zinc/04/54/06/908045406.db2.gz ZEVJBBPFNGUFHT-UHFFFAOYSA-N 0 0 405.498 4.377 20 30 HIEDRN CC(C)COc1cccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 ZINC000498632337 908073666 /nfs/dbraw/zinc/07/36/66/908073666.db2.gz AIUKCYXYPLVXFC-UHFFFAOYSA-N 0 0 400.500 4.051 20 30 HIEDRN CC1(C#N)CCN(C(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)CC1 ZINC000498642606 908083172 /nfs/dbraw/zinc/08/31/72/908083172.db2.gz FAJNIOSYDXZVTC-UHFFFAOYSA-N 0 0 423.326 4.080 20 30 HIEDRN CCCCCC(=O)NC1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000498653172 908092958 /nfs/dbraw/zinc/09/29/58/908092958.db2.gz DZAAEXRKMIWUBM-UHFFFAOYSA-N 0 0 403.530 4.333 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000498785122 908200485 /nfs/dbraw/zinc/20/04/85/908200485.db2.gz JXIQKKQSUYCKQM-UHFFFAOYSA-N 0 0 421.541 4.195 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c(C#N)c(C)c1C ZINC000498881645 908280972 /nfs/dbraw/zinc/28/09/72/908280972.db2.gz BOKAWXMQXAWPLF-JOCHJYFZSA-N 0 0 420.513 4.411 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)C3(Cc4cccc(F)c4)CCOCC3)n2)c(F)c1 ZINC000498946914 908351710 /nfs/dbraw/zinc/35/17/10/908351710.db2.gz PIKDGMPBNZIOHX-UHFFFAOYSA-N 0 0 422.435 4.000 20 30 HIEDRN C=CCCO[C@@H](C)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000499237326 908601438 /nfs/dbraw/zinc/60/14/38/908601438.db2.gz SJVJAIPAWQOHSU-SFHVURJKSA-N 0 0 424.541 4.182 20 30 HIEDRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CN(CCC#N)CCC#N)c1 ZINC000499238062 908601860 /nfs/dbraw/zinc/60/18/60/908601860.db2.gz QSPITIOXBXIHDQ-UHFFFAOYSA-N 0 0 415.497 4.186 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000499280107 908659555 /nfs/dbraw/zinc/65/95/55/908659555.db2.gz HIHNMMLAILRHQY-UHFFFAOYSA-N 0 0 423.450 4.243 20 30 HIEDRN N#Cc1ccc(CN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)C2CC2)cc1 ZINC000499306168 908678089 /nfs/dbraw/zinc/67/80/89/908678089.db2.gz BKANSLXPUUWDMA-UHFFFAOYSA-N 0 0 421.298 4.311 20 30 HIEDRN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000499308295 908683725 /nfs/dbraw/zinc/68/37/25/908683725.db2.gz JWMPJORVJXBBQK-QWFCFKBJSA-N 0 0 410.905 4.032 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000499315782 908689521 /nfs/dbraw/zinc/68/95/21/908689521.db2.gz MALVOZJLIPZWMN-KRWDZBQOSA-N 0 0 408.502 4.115 20 30 HIEDRN N#Cc1c(NC(=O)c2cc(Br)c3c(c2)OCCO3)sc2c1CCCC2 ZINC000499324263 908698814 /nfs/dbraw/zinc/69/88/14/908698814.db2.gz HSKFFYUEVPAKKR-UHFFFAOYSA-N 0 0 419.300 4.285 20 30 HIEDRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499382096 908746059 /nfs/dbraw/zinc/74/60/59/908746059.db2.gz KUMQXCQLKWVRQD-HNNXBMFYSA-N 0 0 413.300 4.271 20 30 HIEDRN N#C[C@H](NC(=O)c1csc(Br)c1)c1ccc(Br)cc1 ZINC000499389240 908751275 /nfs/dbraw/zinc/75/12/75/908751275.db2.gz FYXJLYORBBZZGF-NSHDSACASA-N 0 0 400.095 4.268 20 30 HIEDRN CCOc1ccccc1OCCCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499392547 908753132 /nfs/dbraw/zinc/75/31/32/908753132.db2.gz ZUEZIUGPHLDKEO-QGZVFWFLSA-N 0 0 417.303 4.388 20 30 HIEDRN N#C[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc(Br)cc1 ZINC000499392407 908754314 /nfs/dbraw/zinc/75/43/14/908754314.db2.gz OVJDZKNHYYRSTJ-GOSISDBHSA-N 0 0 401.329 4.411 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000499397497 908758262 /nfs/dbraw/zinc/75/82/62/908758262.db2.gz XGVAPXAHHPTQEC-OAHLLOKOSA-N 0 0 408.093 4.135 20 30 HIEDRN N#C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000499403730 908767937 /nfs/dbraw/zinc/76/79/37/908767937.db2.gz HAVHWBFICKZKNU-OAHLLOKOSA-N 0 0 400.301 4.372 20 30 HIEDRN CC1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cn2)CC1 ZINC000499409603 908773551 /nfs/dbraw/zinc/77/35/51/908773551.db2.gz VISMGSKPGOKYFK-GOSISDBHSA-N 0 0 413.319 4.075 20 30 HIEDRN COc1ccc(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1Cl ZINC000499419833 908784792 /nfs/dbraw/zinc/78/47/92/908784792.db2.gz LVNCZQVSBPJNQA-MRXNPFEDSA-N 0 0 407.695 4.425 20 30 HIEDRN C/C=C\c1ccc(OCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(OC)c1 ZINC000499429345 908791915 /nfs/dbraw/zinc/79/19/15/908791915.db2.gz BRBWEGNAYHTJRE-LIMHQNJXSA-N 0 0 415.287 4.251 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000499430559 908793511 /nfs/dbraw/zinc/79/35/11/908793511.db2.gz JVGUESGLWGMXLM-CQSZACIVSA-N 0 0 412.056 4.345 20 30 HIEDRN N#C[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(Br)cc1 ZINC000499438136 908796815 /nfs/dbraw/zinc/79/68/15/908796815.db2.gz SFPMVYZJYBBEMP-KRWDZBQOSA-N 0 0 415.678 4.283 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000499440664 908800583 /nfs/dbraw/zinc/80/05/83/908800583.db2.gz YFAVXNLTBAZJRZ-OAHLLOKOSA-N 0 0 413.193 4.385 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc(N2CCCCCC2)nc1)c1nc(-c2ccncc2)cs1 ZINC000512963467 921440838 /nfs/dbraw/zinc/44/08/38/921440838.db2.gz FFQFSVROGGOXQG-SFHVURJKSA-N 0 0 403.511 4.471 20 30 HIEDRN COc1cc(I)c(Cl)cc1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000499471577 908809392 /nfs/dbraw/zinc/80/93/92/908809392.db2.gz ALNRFXUTVHVGOJ-OAHLLOKOSA-N 0 0 420.678 4.011 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)c2ccc(Br)cc2)cc1 ZINC000499477655 908811264 /nfs/dbraw/zinc/81/12/64/908811264.db2.gz JGEPCUOHRZJIGW-CYBMUJFWSA-N 0 0 402.292 4.499 20 30 HIEDRN COc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)cc1Br ZINC000512963317 921441315 /nfs/dbraw/zinc/44/13/15/921441315.db2.gz CDLPCJMCMUJBNE-ZDUSSCGKSA-N 0 0 414.284 4.466 20 30 HIEDRN C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000499485997 908814545 /nfs/dbraw/zinc/81/45/45/908814545.db2.gz SAHFEONTTDWCJH-NSHDSACASA-N 0 0 408.401 4.468 20 30 HIEDRN C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000499485996 908814718 /nfs/dbraw/zinc/81/47/18/908814718.db2.gz SAHFEONTTDWCJH-LLVKDONJSA-N 0 0 408.401 4.468 20 30 HIEDRN CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000499517111 908825891 /nfs/dbraw/zinc/82/58/91/908825891.db2.gz CHAGOAJNSJOLII-GOSISDBHSA-N 0 0 416.465 4.101 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000499547294 908836224 /nfs/dbraw/zinc/83/62/24/908836224.db2.gz YVDVESSWPVVDJG-UHFFFAOYSA-N 0 0 408.546 4.374 20 30 HIEDRN CC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)[C@H](O)C(F)(F)F ZINC000499603579 908852743 /nfs/dbraw/zinc/85/27/43/908852743.db2.gz DUIUTXNEFAQMJF-YJBOKZPZSA-N 0 0 423.391 4.182 20 30 HIEDRN Cc1ccc(C[C@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000499615075 908856115 /nfs/dbraw/zinc/85/61/15/908856115.db2.gz JMXUTUPOLRIRQJ-HSZRJFAPSA-N 0 0 403.526 4.256 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)CSc1cccc(Br)c1 ZINC000499741119 908895948 /nfs/dbraw/zinc/89/59/48/908895948.db2.gz GQFVGBBSNJEKRK-UHFFFAOYSA-N 0 0 406.305 4.257 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccnc(OC2CCCC2)c1 ZINC000499749461 908898483 /nfs/dbraw/zinc/89/84/83/908898483.db2.gz NYDFCIWCDABTPU-UHFFFAOYSA-N 0 0 417.431 4.273 20 30 HIEDRN CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)CO2 ZINC000499836204 908968937 /nfs/dbraw/zinc/96/89/37/908968937.db2.gz UNOHSXQZCJPREV-DYVFJYSZSA-N 0 0 405.281 4.324 20 30 HIEDRN N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000512989596 921456981 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418.476 4.016 20 30 HIEDRN C[C@H]1COc2ccccc2CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541106532 939462352 /nfs/dbraw/zinc/46/23/52/939462352.db2.gz MTNHTUJISOAFMA-AWEZNQCLSA-N 0 0 407.861 4.212 20 30 HIEDRN CCOc1ccc2c(c1)CCN(C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)C2 ZINC000541105744 939462416 /nfs/dbraw/zinc/46/24/16/939462416.db2.gz KAYAYCJYHFWPHJ-UHFFFAOYSA-N 0 0 421.888 4.386 20 30 HIEDRN CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000541106671 939462453 /nfs/dbraw/zinc/46/24/53/939462453.db2.gz IEDLHTVVZLLYCC-UHFFFAOYSA-N 0 0 401.804 4.339 20 30 HIEDRN Cn1ncc(C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)c1C(F)F ZINC000541108703 939463234 /nfs/dbraw/zinc/46/32/34/939463234.db2.gz QRYWLJLFDZKOEE-LLVKDONJSA-N 0 0 417.256 4.290 20 30 HIEDRN C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541109592 939463718 /nfs/dbraw/zinc/46/37/18/939463718.db2.gz QOYQZSTUIOBEBJ-VGSWGCGISA-N 0 0 401.510 4.194 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)n2)c(Cl)c1 ZINC000541111189 939464120 /nfs/dbraw/zinc/46/41/20/939464120.db2.gz CASIHOYUILRNPJ-UHFFFAOYSA-N 0 0 424.863 4.223 20 30 HIEDRN N#Cc1ccc(CC(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1 ZINC000541111723 939464123 /nfs/dbraw/zinc/46/41/23/939464123.db2.gz PWOURFKTXKTLHR-INIZCTEOSA-N 0 0 402.294 4.419 20 30 HIEDRN CSc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1[N+](=O)[O-] ZINC000541112717 939464352 /nfs/dbraw/zinc/46/43/52/939464352.db2.gz XWLGUDCGTNNQPA-UHFFFAOYSA-N 0 0 413.846 4.280 20 30 HIEDRN C[C@H](NC(=O)NCCc1cn2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541123881 939469564 /nfs/dbraw/zinc/46/95/64/939469564.db2.gz YUZSJBXDUDJUER-SFHVURJKSA-N 0 0 409.493 4.476 20 30 HIEDRN C[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]2CCCC[C@H]12 ZINC000541130719 939472153 /nfs/dbraw/zinc/47/21/53/939472153.db2.gz GHVCFOQOJLZMLD-SUMDDJOVSA-N 0 0 408.502 4.060 20 30 HIEDRN C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541132715 939472526 /nfs/dbraw/zinc/47/25/26/939472526.db2.gz VPNAPUZSSQQZBG-HOTGVXAUSA-N 0 0 411.461 4.436 20 30 HIEDRN Cn1cc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(-c2ccccc2)n1 ZINC000541132591 939472535 /nfs/dbraw/zinc/47/25/35/939472535.db2.gz XMCLDFWWVMRJAN-UHFFFAOYSA-N 0 0 422.488 4.468 20 30 HIEDRN COC(=O)c1cc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)oc1C ZINC000541156949 939479194 /nfs/dbraw/zinc/47/91/94/939479194.db2.gz LYPCKSSLCVEOGJ-OAHLLOKOSA-N 0 0 417.465 4.474 20 30 HIEDRN C[C@H](NC(=O)NCC(=O)NC1CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158071 939479886 /nfs/dbraw/zinc/47/98/86/939479886.db2.gz UVPZXJQMFJRMGN-KRWDZBQOSA-N 0 0 404.514 4.034 20 30 HIEDRN C=CC[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000541249529 939487573 /nfs/dbraw/zinc/48/75/73/939487573.db2.gz PDOILOJSANOGNO-ICSRJNTNSA-N 0 0 420.962 4.487 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC[C@H](SC)C(C)(C)C)nnc1-c1ccco1 ZINC000541277402 939489038 /nfs/dbraw/zinc/48/90/38/939489038.db2.gz HBMACWFSMZKVBE-HNNXBMFYSA-N 0 0 408.593 4.100 20 30 HIEDRN Cc1ccnc(N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1C#N ZINC000541280062 939489108 /nfs/dbraw/zinc/48/91/08/939489108.db2.gz MSGJHBUNOPVIDK-UHFFFAOYSA-N 0 0 420.410 4.074 20 30 HIEDRN COc1ccc(-c2nnc(SCc3ccc(CC#N)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000541280861 939489142 /nfs/dbraw/zinc/48/91/42/939489142.db2.gz HNKLFNHHNLWVMP-NRFANRHFSA-N 0 0 420.538 4.491 20 30 HIEDRN N#Cc1ccc(CN(C(=O)C2=Cc3cc(Br)ccc3OC2)C2CC2)cc1 ZINC000541368563 939498529 /nfs/dbraw/zinc/49/85/29/939498529.db2.gz KCHSKQKGUSAZHC-UHFFFAOYSA-N 0 0 409.283 4.288 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2ccccc2C(=O)N2CCCCC2)C2CC2)cc1 ZINC000541429645 939514191 /nfs/dbraw/zinc/51/41/91/939514191.db2.gz XZNGDJQHMRZCRQ-UHFFFAOYSA-N 0 0 402.498 4.381 20 30 HIEDRN CC(=O)N(Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1)C1CC1 ZINC000541445643 939518075 /nfs/dbraw/zinc/51/80/75/939518075.db2.gz ZROGXYHYKOKIJP-UHFFFAOYSA-N 0 0 402.498 4.266 20 30 HIEDRN CCOC(=O)c1cc(NC(=O)Cc2noc(C)c2C#N)ccc1Sc1ccccc1 ZINC000541445266 939518188 /nfs/dbraw/zinc/51/81/88/939518188.db2.gz SDBWTBDSXWFOQE-UHFFFAOYSA-N 0 0 421.478 4.364 20 30 HIEDRN CC(=O)NC1CCC(N(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000541446149 939518650 /nfs/dbraw/zinc/51/86/50/939518650.db2.gz JHBXCWQXHANRKZ-UHFFFAOYSA-N 0 0 406.486 4.262 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000541461905 939524188 /nfs/dbraw/zinc/52/41/88/939524188.db2.gz PSYZAPYZSXJKBA-UHFFFAOYSA-N 0 0 404.398 4.115 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000541491322 939535146 /nfs/dbraw/zinc/53/51/46/939535146.db2.gz SJVBZBGIOYKBBV-UHFFFAOYSA-N 0 0 419.481 4.409 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541499675 939537489 /nfs/dbraw/zinc/53/74/89/939537489.db2.gz ZFNOIVAEDKNGSL-IERDGZPVSA-N 0 0 409.486 4.207 20 30 HIEDRN CC[C@H](NC(=O)Nc1cc(C#N)ccc1OCCOC)c1nc(-c2ccccc2)c[nH]1 ZINC000541500668 939537956 /nfs/dbraw/zinc/53/79/56/939537956.db2.gz VGWORUZSWPDLCD-SFHVURJKSA-N 0 0 419.485 4.246 20 30 HIEDRN Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1-n1nnnc1C(C)C ZINC000541504481 939538512 /nfs/dbraw/zinc/53/85/12/939538512.db2.gz WGARYDXHJGDPLR-UHFFFAOYSA-N 0 0 415.501 4.162 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000541526175 939544188 /nfs/dbraw/zinc/54/41/88/939544188.db2.gz RZDKALCJGHCTJZ-UHFFFAOYSA-N 0 0 412.449 4.175 20 30 HIEDRN COCC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccco1 ZINC000541597801 939563521 /nfs/dbraw/zinc/56/35/21/939563521.db2.gz LDFVEPIWCUVILR-HXUWFJFHSA-N 0 0 424.476 4.004 20 30 HIEDRN COC(=O)c1ccccc1CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000541614461 939571152 /nfs/dbraw/zinc/57/11/52/939571152.db2.gz RPJHXNRDEBYSMZ-UHFFFAOYSA-N 0 0 414.461 4.299 20 30 HIEDRN COCC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccc(C)o1 ZINC000541649870 939586536 /nfs/dbraw/zinc/58/65/36/939586536.db2.gz BKKKUTUUFPWBGG-FQEVSTJZSA-N 0 0 412.534 4.299 20 30 HIEDRN C[C@@H](N[C@@H](C)c1nc(C2CCCCC2)no1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000541689795 939604012 /nfs/dbraw/zinc/60/40/12/939604012.db2.gz HQNSTHIHFWJUCD-QOQLHOOGSA-N 0 0 401.555 4.087 20 30 HIEDRN N#CCCn1cc(C(=O)CN2CCO[C@H](CCc3ccccc3)C2)c2ccccc21 ZINC000541700560 939608511 /nfs/dbraw/zinc/60/85/11/939608511.db2.gz RUJHEXDDZUBTAP-OAQYLSRUSA-N 0 0 401.510 4.071 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1Cl ZINC000541721418 939614228 /nfs/dbraw/zinc/61/42/28/939614228.db2.gz COXGTTXEJDEXOK-CYBMUJFWSA-N 0 0 401.919 4.155 20 30 HIEDRN Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000541803829 939637443 /nfs/dbraw/zinc/63/74/43/939637443.db2.gz DXRGUSCKXNCLGE-LJQANCHMSA-N 0 0 417.435 4.011 20 30 HIEDRN C[C@@H](NC(=O)NC(C)(C)COc1ncccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000541831731 939644508 /nfs/dbraw/zinc/64/45/08/939644508.db2.gz APDXBESSRGHNDD-CYBMUJFWSA-N 0 0 406.408 4.190 20 30 HIEDRN COc1ccc2cc(CNC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)ccc2c1 ZINC000541906410 939650617 /nfs/dbraw/zinc/65/06/17/939650617.db2.gz HROFBUSZXKBFIY-UHFFFAOYSA-N 0 0 415.428 4.367 20 30 HIEDRN C=CCSCCNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000541924571 939655715 /nfs/dbraw/zinc/65/57/15/939655715.db2.gz BZTXYYUNMMGCDZ-UHFFFAOYSA-N 0 0 409.353 4.199 20 30 HIEDRN C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)CCCC1(C#N)CCOCC1 ZINC000541929465 939656426 /nfs/dbraw/zinc/65/64/26/939656426.db2.gz WMIRKAPDKMPMKA-AWEZNQCLSA-N 0 0 405.438 4.162 20 30 HIEDRN C=C[C@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)c1ccccc1 ZINC000541939518 939658814 /nfs/dbraw/zinc/65/88/14/939658814.db2.gz NVJMFOVIJSVQDP-QRWLVFNGSA-N 0 0 402.416 4.065 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000541960251 939663252 /nfs/dbraw/zinc/66/32/52/939663252.db2.gz JQHGMPFUDILEGB-GFCCVEGCSA-N 0 0 416.167 4.498 20 30 HIEDRN N#CCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 ZINC000541970480 939665639 /nfs/dbraw/zinc/66/56/39/939665639.db2.gz APRXCIJYMMKKNR-UHFFFAOYSA-N 0 0 422.485 4.193 20 30 HIEDRN O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541987942 939671156 /nfs/dbraw/zinc/67/11/56/939671156.db2.gz FKMHFMPBHPZLBA-CYBMUJFWSA-N 0 0 407.285 4.476 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cnc(-c4ccccc4F)s3)n2)c(F)c1 ZINC000541998187 939675308 /nfs/dbraw/zinc/67/53/08/939675308.db2.gz KZZSJHNHIFFSNG-UHFFFAOYSA-N 0 0 407.405 4.398 20 30 HIEDRN Cc1ccccc1Cc1nc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)no1 ZINC000542002198 939677660 /nfs/dbraw/zinc/67/76/60/939677660.db2.gz PQCOAOIOTCEZAG-UHFFFAOYSA-N 0 0 404.861 4.292 20 30 HIEDRN COC(=O)c1ccc(-c2nc(CSCCOc3ccc(C#N)cc3OC)co2)cc1 ZINC000542005285 939681600 /nfs/dbraw/zinc/68/16/00/939681600.db2.gz YGSZPWQASNDTOT-UHFFFAOYSA-N 0 0 424.478 4.321 20 30 HIEDRN COc1ccc(Cl)cc1NC(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542005700 939681625 /nfs/dbraw/zinc/68/16/25/939681625.db2.gz GBMWYTMEJMBJTH-UHFFFAOYSA-N 0 0 416.268 4.110 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2SCCc3sccc32)n1 ZINC000542014717 939685622 /nfs/dbraw/zinc/68/56/22/939685622.db2.gz WHNIWJJEJHUMCH-KRWDZBQOSA-N 0 0 400.916 4.428 20 30 HIEDRN N#CCCn1ccc(NC(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)n1 ZINC000542024897 939690109 /nfs/dbraw/zinc/69/01/09/939690109.db2.gz BFCFMWDFKRKZPS-ZDUSSCGKSA-N 0 0 421.301 4.120 20 30 HIEDRN C[C@@H](NC(=O)Nc1cccnc1-n1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025122 939690591 /nfs/dbraw/zinc/69/05/91/939690591.db2.gz INUKYWCHDRYNFY-MRXNPFEDSA-N 0 0 409.453 4.084 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCCc3cc(F)c(F)c(F)c3)n2)c(Cl)c1 ZINC000542025615 939690637 /nfs/dbraw/zinc/69/06/37/939690637.db2.gz HJOGNMTZNHCNDK-UHFFFAOYSA-N 0 0 419.794 4.179 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCc3ccn(C4CCCC4)n3)n2)c(Cl)c1 ZINC000542025789 939690714 /nfs/dbraw/zinc/69/07/14/939690714.db2.gz JYNZSGHBYXUHKO-UHFFFAOYSA-N 0 0 409.881 4.031 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)n1 ZINC000542028937 939692071 /nfs/dbraw/zinc/69/20/71/939692071.db2.gz WMHODQMPTPFFSM-UHFFFAOYSA-N 0 0 413.815 4.266 20 30 HIEDRN CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)CCC2 ZINC000542029369 939692657 /nfs/dbraw/zinc/69/26/57/939692657.db2.gz STJNYDPAKZNAMA-QGZVFWFLSA-N 0 0 424.505 4.443 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000542030433 939693053 /nfs/dbraw/zinc/69/30/53/939693053.db2.gz ZVUANIZOAWGTJG-MRXNPFEDSA-N 0 0 420.904 4.045 20 30 HIEDRN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)n1 ZINC000542032017 939693280 /nfs/dbraw/zinc/69/32/80/939693280.db2.gz FQIBWLAFUKEYBR-OAHLLOKOSA-N 0 0 410.478 4.060 20 30 HIEDRN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000542053702 939700133 /nfs/dbraw/zinc/70/01/33/939700133.db2.gz PKOHFFMNJRYTLY-IFXJQAMLSA-N 0 0 403.404 4.421 20 30 HIEDRN COC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C ZINC000542059153 939701377 /nfs/dbraw/zinc/70/13/77/939701377.db2.gz IPLHQYDFSVEVSL-HNNXBMFYSA-N 0 0 401.466 4.448 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccnc(OCc4ccccc4)c3)n2)c(F)c1 ZINC000542060031 939701524 /nfs/dbraw/zinc/70/15/24/939701524.db2.gz LAJGKUDSEQROHN-UHFFFAOYSA-N 0 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WICNDBVOIZPPSE-LBPRGKRZSA-N 0 0 408.260 4.478 20 30 HIEDRN Cc1nc(CC(C)C)sc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553540184 941904946 /nfs/dbraw/zinc/90/49/46/941904946.db2.gz HLLBVRVZLHYQFH-UHFFFAOYSA-N 0 0 401.507 4.344 20 30 HIEDRN CC(C)(C)[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCO1 ZINC000553543083 941905492 /nfs/dbraw/zinc/90/54/92/941905492.db2.gz RJZGQMDGFNJSPE-IBGZPJMESA-N 0 0 403.954 4.092 20 30 HIEDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553555672 941908263 /nfs/dbraw/zinc/90/82/63/941908263.db2.gz OFPQCWHJKSOGRE-FQEVSTJZSA-N 0 0 414.484 4.457 20 30 HIEDRN C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000553567424 941910608 /nfs/dbraw/zinc/91/06/08/941910608.db2.gz WBFXJOYVRBCFGV-ZDUSSCGKSA-N 0 0 405.951 4.374 20 30 HIEDRN CC1(C(=O)Nc2cnc(CC3CC3)nc2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553572585 941912016 /nfs/dbraw/zinc/91/20/16/941912016.db2.gz KFTQYUDRYNTVHJ-UHFFFAOYSA-N 0 0 409.921 4.199 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1Cl ZINC000553576473 941912235 /nfs/dbraw/zinc/91/22/35/941912235.db2.gz KKBJZZXEJGDCBV-UHFFFAOYSA-N 0 0 417.893 4.400 20 30 HIEDRN N#Cc1cc(Br)ccc1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000553654598 941935165 /nfs/dbraw/zinc/93/51/65/941935165.db2.gz CRJMACICORSZTH-UHFFFAOYSA-N 0 0 407.699 4.019 20 30 HIEDRN Cc1nc(-c2cccnc2)nc(N2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000553654072 941935694 /nfs/dbraw/zinc/93/56/94/941935694.db2.gz WJKNFSODWRWDRF-UHFFFAOYSA-N 0 0 403.461 4.214 20 30 HIEDRN C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553721268 941952235 /nfs/dbraw/zinc/95/22/35/941952235.db2.gz BPSXLECTESXXDW-YWZLYKJASA-N 0 0 402.416 4.498 20 30 HIEDRN Cc1noc([C@H]2CCCCN2C(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000553723349 941953032 /nfs/dbraw/zinc/95/30/32/941953032.db2.gz DIYLONPRWBYUMI-OAQYLSRUSA-N 0 0 402.454 4.196 20 30 HIEDRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000553813103 941974825 /nfs/dbraw/zinc/97/48/25/941974825.db2.gz BENVRJAUOWQNJN-QUCCMNQESA-N 0 0 402.523 4.259 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1Br ZINC000553809850 941974848 /nfs/dbraw/zinc/97/48/48/941974848.db2.gz OSFKPHMDKCLLHD-UHFFFAOYSA-N 0 0 407.333 4.061 20 30 HIEDRN CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000553824427 941977947 /nfs/dbraw/zinc/97/79/47/941977947.db2.gz DJQLBKWLYLJTGU-UHFFFAOYSA-N 0 0 411.449 4.017 20 30 HIEDRN C=CCOc1ccccc1C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000553919188 941998190 /nfs/dbraw/zinc/99/81/90/941998190.db2.gz ZKXQNCLKIGHBRW-UHFFFAOYSA-N 0 0 414.505 4.229 20 30 HIEDRN N#Cc1ccc(Br)c(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000553925414 942000285 /nfs/dbraw/zinc/00/02/85/942000285.db2.gz QJZPGCPQCOEJFT-DLBZAZTESA-N 0 0 417.307 4.282 20 30 HIEDRN C=CCN1CC[C@H](Sc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)C1=O ZINC000554008342 942018214 /nfs/dbraw/zinc/01/82/14/942018214.db2.gz YXXPOCTZLLAZOB-SFHVURJKSA-N 0 0 410.930 4.467 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000554005594 942018241 /nfs/dbraw/zinc/01/82/41/942018241.db2.gz IMSVZMKZDHKGAC-KRWDZBQOSA-N 0 0 423.900 4.088 20 30 HIEDRN C=CC1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000554007375 942018316 /nfs/dbraw/zinc/01/83/16/942018316.db2.gz SUEAEQQCUVLBJZ-UHFFFAOYSA-N 0 0 404.919 4.179 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1nccn1-c1ccccc1 ZINC000554026379 942021608 /nfs/dbraw/zinc/02/16/08/942021608.db2.gz ZETCZYISWBRYDA-SFHVURJKSA-N 0 0 415.497 4.058 20 30 HIEDRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)CCC#N)c2)c1 ZINC000554071848 942029471 /nfs/dbraw/zinc/02/94/71/942029471.db2.gz QGIWGSPCBJYBCY-UHFFFAOYSA-N 0 0 413.543 4.164 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](c1nncn1C)C(C)C ZINC000554160302 942052260 /nfs/dbraw/zinc/05/22/60/942052260.db2.gz QUNQRIZAGBZGLT-FQEVSTJZSA-N 0 0 404.474 4.306 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)Cc1ccccc1 ZINC000554159682 942052666 /nfs/dbraw/zinc/05/26/66/942052666.db2.gz DCIPHNDLRSPWTR-HXUWFJFHSA-N 0 0 401.466 4.384 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC000554172046 942056547 /nfs/dbraw/zinc/05/65/47/942056547.db2.gz KRXKXJBANLHQMS-UHFFFAOYSA-N 0 0 413.346 4.221 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1 ZINC000554172282 942056720 /nfs/dbraw/zinc/05/67/20/942056720.db2.gz LXFYNFKIVSVXHD-VQTJNVASSA-N 0 0 415.440 4.002 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NCc3nnc(C4CC4)o3)cc2Cl)c1 ZINC000554188200 942062105 /nfs/dbraw/zinc/06/21/05/942062105.db2.gz NOECNNSDYBYRPG-UHFFFAOYSA-N 0 0 423.860 4.373 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000554192463 942063120 /nfs/dbraw/zinc/06/31/20/942063120.db2.gz XJQVSGCGAZOVIR-RZUBCFFCSA-N 0 0 405.498 4.382 20 30 HIEDRN C=CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000554194692 942063516 /nfs/dbraw/zinc/06/35/16/942063516.db2.gz QBYOHJKDCGCRCI-LJQANCHMSA-N 0 0 412.490 4.288 20 30 HIEDRN CNC(=O)CC[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000554209215 942067619 /nfs/dbraw/zinc/06/76/19/942067619.db2.gz ZFDZJUQEDGZFFE-LJQANCHMSA-N 0 0 406.486 4.263 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)CC2)c(F)c1 ZINC000554212003 942068938 /nfs/dbraw/zinc/06/89/38/942068938.db2.gz QRSWZAFDSJLYTE-UHFFFAOYSA-N 0 0 405.433 4.163 20 30 HIEDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000554244750 942076274 /nfs/dbraw/zinc/07/62/74/942076274.db2.gz FDTDMRWKPIYNMP-GOSISDBHSA-N 0 0 413.477 4.353 20 30 HIEDRN C=CCOc1ccc(CNC(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1 ZINC000554256592 942081490 /nfs/dbraw/zinc/08/14/90/942081490.db2.gz OBROYYDAQCYPEV-UHFFFAOYSA-N 0 0 414.933 4.452 20 30 HIEDRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]2CC)c1 ZINC000554299425 942094721 /nfs/dbraw/zinc/09/47/21/942094721.db2.gz BCFFPFLZNONHSZ-GOSISDBHSA-N 0 0 418.946 4.346 20 30 HIEDRN C=CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000554345162 942108107 /nfs/dbraw/zinc/10/81/07/942108107.db2.gz CGDZFQNSSQNWIH-UHFFFAOYSA-N 0 0 401.894 4.063 20 30 HIEDRN COC(=O)C[C@](C)(NC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccn1 ZINC000554445684 942146032 /nfs/dbraw/zinc/14/60/32/942146032.db2.gz VCVVDDUGAWDMGH-VFNWGFHPSA-N 0 0 412.515 4.076 20 30 HIEDRN CC1CCN(c2cccc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)CC1 ZINC000554578037 942170535 /nfs/dbraw/zinc/17/05/35/942170535.db2.gz HQNZGAVTTQSYMA-UHFFFAOYSA-N 0 0 403.530 4.407 20 30 HIEDRN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554578642 942171098 /nfs/dbraw/zinc/17/10/98/942171098.db2.gz WQNKFDVFHXPELM-UHFFFAOYSA-N 0 0 415.501 4.010 20 30 HIEDRN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554601957 942174274 /nfs/dbraw/zinc/17/42/74/942174274.db2.gz CZBBLQZQOPBWLS-UZLBHIALSA-N 0 0 412.921 4.078 20 30 HIEDRN C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)Cc1nc([C@@H](C)OC)no1 ZINC000554626585 942179077 /nfs/dbraw/zinc/17/90/77/942179077.db2.gz MEFCWZNWMSKWIX-OAHLLOKOSA-N 0 0 404.474 4.011 20 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HIEDRN COc1cccc([C@@H](NS(=O)(=O)CC2(C#N)CCC2)c2ccccc2Cl)c1 ZINC000554905109 942314006 /nfs/dbraw/zinc/31/40/06/942314006.db2.gz CTARDZOYNPWIBY-LJQANCHMSA-N 0 0 404.919 4.051 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000554915031 942317601 /nfs/dbraw/zinc/31/76/01/942317601.db2.gz JVXLPDASDRUTBW-UHFFFAOYSA-N 0 0 421.379 4.299 20 30 HIEDRN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N1CCSCC1 ZINC000554931166 942323811 /nfs/dbraw/zinc/32/38/11/942323811.db2.gz ROVWPNLWKOYLEQ-UHFFFAOYSA-N 0 0 413.374 4.336 20 30 HIEDRN C=CCn1c(SCc2ccc(COC)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000554970100 942337759 /nfs/dbraw/zinc/33/77/59/942337759.db2.gz QFTPTSHXUDGTSX-HXUWFJFHSA-N 0 0 409.511 4.415 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(Br)c1Cl ZINC000554993652 942347387 /nfs/dbraw/zinc/34/73/87/942347387.db2.gz VNFZMPCJSRSDGH-INIZCTEOSA-N 0 0 401.688 4.303 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000555066439 942374880 /nfs/dbraw/zinc/37/48/80/942374880.db2.gz OSVMWQGCNXCUCC-XMMPIXPASA-N 0 0 401.514 4.225 20 30 HIEDRN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000555097386 942384652 /nfs/dbraw/zinc/38/46/52/942384652.db2.gz PZFHEZPEUYWKKK-XYEKJYRLSA-N 0 0 417.358 4.086 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000555115881 942389549 /nfs/dbraw/zinc/38/95/49/942389549.db2.gz XSQAHMXBCBHCLV-UHFFFAOYSA-N 0 0 423.492 4.033 20 30 HIEDRN N#Cc1cc(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)nc2ccccc12 ZINC000555134865 942398561 /nfs/dbraw/zinc/39/85/61/942398561.db2.gz DCOYYFVXSRQNIS-MRXNPFEDSA-N 0 0 403.461 4.284 20 30 HIEDRN Cc1c(NC(=O)c2c(F)cc(C#N)cc2F)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000555146786 942404372 /nfs/dbraw/zinc/40/43/72/942404372.db2.gz NEXAIDNRJZKPAN-UHFFFAOYSA-N 0 0 421.329 4.056 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc(-c4ccc[nH]4)n3Cc3ccccc3)CC2)cc1 ZINC000555183284 942421110 /nfs/dbraw/zinc/42/11/10/942421110.db2.gz UCZJHDOHMSXHAB-UHFFFAOYSA-N 0 0 406.493 4.487 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000555221282 942435208 /nfs/dbraw/zinc/43/52/08/942435208.db2.gz OYTOKXUGTBQLNB-WMZOPIPTSA-N 0 0 400.489 4.117 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC000555222636 942435921 /nfs/dbraw/zinc/43/59/21/942435921.db2.gz TZZJJZNUFKDTSP-UHFFFAOYSA-N 0 0 417.517 4.252 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)N(CC)CC)CC1 ZINC000555238154 942441139 /nfs/dbraw/zinc/44/11/39/942441139.db2.gz FCZDWJPTWXIWJJ-UHFFFAOYSA-N 0 0 421.545 4.352 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CCC1CCOCC1 ZINC000555238844 942441149 /nfs/dbraw/zinc/44/11/49/942441149.db2.gz ZQMBIPGLLCJLQZ-VXKWHMMOSA-N 0 0 410.562 4.352 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000555241101 942442517 /nfs/dbraw/zinc/44/25/17/942442517.db2.gz YQYHSGHRKJNBBT-FQEVSTJZSA-N 0 0 422.577 4.145 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)Cc1ccccc1OC ZINC000555243579 942444192 /nfs/dbraw/zinc/44/41/92/942444192.db2.gz ZIKSUUVMWYTWBC-UHFFFAOYSA-N 0 0 408.502 4.087 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000555244533 942444326 /nfs/dbraw/zinc/44/43/26/942444326.db2.gz OERGIAANSMMOSI-UHFFFAOYSA-N 0 0 412.541 4.024 20 30 HIEDRN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000555249147 942445943 /nfs/dbraw/zinc/44/59/43/942445943.db2.gz GASGGCKBLQOPRA-UHFFFAOYSA-N 0 0 409.582 4.060 20 30 HIEDRN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000555253590 942447928 /nfs/dbraw/zinc/44/79/28/942447928.db2.gz MIRNXWSZEGVKOG-UHFFFAOYSA-N 0 0 413.953 4.128 20 30 HIEDRN C=C(C)Cn1c(CCCC)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000555253497 942447933 /nfs/dbraw/zinc/44/79/33/942447933.db2.gz IHMYRCWKOIZJRL-UHFFFAOYSA-N 0 0 414.550 4.262 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 ZINC000555255785 942448669 /nfs/dbraw/zinc/44/86/69/942448669.db2.gz PWAGQMGPKRBBAW-KRWDZBQOSA-N 0 0 408.424 4.145 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000555257526 942449738 /nfs/dbraw/zinc/44/97/38/942449738.db2.gz UBTHMDWSUOFSOR-JOCHJYFZSA-N 0 0 412.541 4.044 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(c2ccnn2CC)CC1 ZINC000555256722 942449776 /nfs/dbraw/zinc/44/97/76/942449776.db2.gz PUFCMUMHWDUQGP-UHFFFAOYSA-N 0 0 424.524 4.173 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC000555256644 942449942 /nfs/dbraw/zinc/44/99/42/942449942.db2.gz ZPWIHEHCETZVPU-JOCHJYFZSA-N 0 0 404.514 4.032 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000555256238 942450022 /nfs/dbraw/zinc/45/00/22/942450022.db2.gz GWIDFXLRULANID-DLBZAZTESA-N 0 0 417.351 4.147 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000555256433 942450055 /nfs/dbraw/zinc/45/00/55/942450055.db2.gz ZKNJBUXCXPPWGH-KOSHJBKYSA-N 0 0 404.514 4.059 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000555261331 942451421 /nfs/dbraw/zinc/45/14/21/942451421.db2.gz VDQQCEDCBWJIJF-JOCHJYFZSA-N 0 0 422.504 4.459 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000555261573 942451693 /nfs/dbraw/zinc/45/16/93/942451693.db2.gz WFCSINARVURBRH-HIFRSBDPSA-N 0 0 400.470 4.031 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(OC)C1 ZINC000555263831 942452537 /nfs/dbraw/zinc/45/25/37/942452537.db2.gz KDMYOVBMFOIDKA-FDDCHVKYSA-N 0 0 414.550 4.398 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](n2ncc3ccccc32)C1 ZINC000555265024 942454151 /nfs/dbraw/zinc/45/41/51/942454151.db2.gz GFAMOOPCFFGRKV-IBGZPJMESA-N 0 0 414.513 4.331 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC000555266419 942454181 /nfs/dbraw/zinc/45/41/81/942454181.db2.gz ZHVHORVYWGJCDZ-UHFFFAOYSA-N 0 0 402.546 4.229 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC000555265578 942454311 /nfs/dbraw/zinc/45/43/11/942454311.db2.gz NBDYIABNNLFIRN-IBGZPJMESA-N 0 0 404.942 4.338 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000555268194 942454985 /nfs/dbraw/zinc/45/49/85/942454985.db2.gz HRUFSCIDZFULSI-FQEVSTJZSA-N 0 0 413.566 4.377 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCSC2(CCOCC2)C1 ZINC000555269074 942455922 /nfs/dbraw/zinc/45/59/22/942455922.db2.gz MXWIVZUKIXMFKT-UHFFFAOYSA-N 0 0 410.543 4.370 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC000555268914 942455962 /nfs/dbraw/zinc/45/59/62/942455962.db2.gz KCCFRMALXUTLIC-UHFFFAOYSA-N 0 0 415.545 4.407 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 ZINC000555269777 942456040 /nfs/dbraw/zinc/45/60/40/942456040.db2.gz VPBNZPYKFIWNGN-NRFANRHFSA-N 0 0 416.504 4.385 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000555271835 942457622 /nfs/dbraw/zinc/45/76/22/942457622.db2.gz GMOAPTFJCPPTBY-XOBRGWDASA-N 0 0 423.344 4.212 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000555271570 942457806 /nfs/dbraw/zinc/45/78/06/942457806.db2.gz BCUCLIATXXNUQM-JOCHJYFZSA-N 0 0 417.488 4.418 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000555274086 942458756 /nfs/dbraw/zinc/45/87/56/942458756.db2.gz FQIGKJYTDZLDTA-VGOFRKELSA-N 0 0 403.530 4.382 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)Cc1cc(OC)c(OC)cc1C ZINC000555273354 942458794 /nfs/dbraw/zinc/45/87/94/942458794.db2.gz XLPXXMTVROMUBL-UHFFFAOYSA-N 0 0 407.518 4.187 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000555278030 942460200 /nfs/dbraw/zinc/46/02/00/942460200.db2.gz DSYVEXCCGYIYHB-UHFFFAOYSA-N 0 0 419.456 4.016 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC(C(=O)OCC)CC1 ZINC000555285497 942462694 /nfs/dbraw/zinc/46/26/94/942462694.db2.gz IPSAWERXCFNFCM-UHFFFAOYSA-N 0 0 404.514 4.454 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000555288220 942463445 /nfs/dbraw/zinc/46/34/45/942463445.db2.gz MOYARFBMLVPFBK-UHFFFAOYSA-N 0 0 400.429 4.454 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000555354527 942490646 /nfs/dbraw/zinc/49/06/46/942490646.db2.gz WMDPFIKPSCLLOL-LJQANCHMSA-N 0 0 420.492 4.055 20 30 HIEDRN C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000555381335 942504945 /nfs/dbraw/zinc/50/49/45/942504945.db2.gz NGLKIPFRJKEBOJ-XMSQKQJNSA-N 0 0 401.514 4.236 20 30 HIEDRN C=CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H]1CCCO1 ZINC000555395786 942513016 /nfs/dbraw/zinc/51/30/16/942513016.db2.gz WASFUMCWABTOQT-CYBMUJFWSA-N 0 0 411.731 4.162 20 30 HIEDRN N#CC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000555403144 942517220 /nfs/dbraw/zinc/51/72/20/942517220.db2.gz XSPDPDCCEZTWEV-KRWDZBQOSA-N 0 0 417.966 4.143 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@@H]2CCCO2)cc1 ZINC000555403956 942518211 /nfs/dbraw/zinc/51/82/11/942518211.db2.gz JBJQQZNOBPUTFL-XUZZJYLKSA-N 0 0 403.530 4.322 20 30 HIEDRN CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)s1 ZINC000555457708 942559288 /nfs/dbraw/zinc/55/92/88/942559288.db2.gz MTGNMFFGVJNPBS-SFHVURJKSA-N 0 0 422.558 4.041 20 30 HIEDRN C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000555475357 942577902 /nfs/dbraw/zinc/57/79/02/942577902.db2.gz MZEYFNNQCAKKGP-JTQLQIEISA-N 0 0 417.309 4.404 20 30 HIEDRN CN1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555482221 942585831 /nfs/dbraw/zinc/58/58/31/942585831.db2.gz VXKSGTCVPNDKFA-VQTJNVASSA-N 0 0 412.896 4.084 20 30 HIEDRN CC(C)(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000555496660 942598225 /nfs/dbraw/zinc/59/82/25/942598225.db2.gz VYLBPQUNPGYRAL-PMACEKPBSA-N 0 0 423.561 4.028 20 30 HIEDRN CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2C[C@H]2CCOC2)CC1 ZINC000555498480 942599079 /nfs/dbraw/zinc/59/90/79/942599079.db2.gz XKNOMPKGDNFSQX-HXUWFJFHSA-N 0 0 415.541 4.189 20 30 HIEDRN Cc1ccc(F)c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)c1 ZINC000555502430 942604606 /nfs/dbraw/zinc/60/46/06/942604606.db2.gz WUQJGHHFGOTRIT-OAQYLSRUSA-N 0 0 419.504 4.470 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000555547265 942637211 /nfs/dbraw/zinc/63/72/11/942637211.db2.gz QPTVZRLQFHWTAW-GOSISDBHSA-N 0 0 412.415 4.280 20 30 HIEDRN N#CCc1ccc(OC[C@@H](O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)cc1 ZINC000555566665 942647468 /nfs/dbraw/zinc/64/74/68/942647468.db2.gz RTRDMNLBEMOJLX-JOCHJYFZSA-N 0 0 418.449 4.070 20 30 HIEDRN N#Cc1c2c(sc1NC(=O)CCN[C@@H](c1nccs1)C(F)(F)F)CCCC2 ZINC000555605907 942665056 /nfs/dbraw/zinc/66/50/56/942665056.db2.gz VFAZBKHCUQXFMR-AWEZNQCLSA-N 0 0 414.478 4.177 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)nn(CC)c1C ZINC000555658715 942690449 /nfs/dbraw/zinc/69/04/49/942690449.db2.gz ABKILPMVVSDUMH-UHFFFAOYSA-N 0 0 408.315 4.179 20 30 HIEDRN C=CCN(CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(OC)cc1 ZINC000555877802 942763522 /nfs/dbraw/zinc/76/35/22/942763522.db2.gz ZXDRHOYZMQWFCN-UHFFFAOYSA-N 0 0 403.320 4.393 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000555930060 942774180 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O=C(CCCc1nnc(-c2ccccc2)o1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000033241538 848132385 /nfs/dbraw/zinc/13/23/85/848132385.db2.gz VZCMACAGMDLGMU-UHFFFAOYSA-N 0 0 413.399 4.246 20 30 HIEDRN O=S(=O)(Nc1ccc(O)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033633978 848137570 /nfs/dbraw/zinc/13/75/70/848137570.db2.gz GIPQXTZKMXLREU-UHFFFAOYSA-N 0 0 403.275 4.370 20 30 HIEDRN C=CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(s1)CCCC2 ZINC000036828438 848166596 /nfs/dbraw/zinc/16/65/96/848166596.db2.gz ZHYIESUELLFFNT-UHFFFAOYSA-N 0 0 424.975 4.058 20 30 HIEDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000036855046 848169686 /nfs/dbraw/zinc/16/96/86/848169686.db2.gz XVIBPABKWOUDJQ-UHFFFAOYSA-N 0 0 418.309 4.485 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nc2sccc2c1=O ZINC000036858541 848171046 /nfs/dbraw/zinc/17/10/46/848171046.db2.gz GDFLHULBKBHHIE-GJZGRUSLSA-N 0 0 413.568 4.045 20 30 HIEDRN C[C@@H]1CCc2c(sc3ncnc(OCC(=O)Nc4ccccc4SCC#N)c32)C1 ZINC000039561886 848189612 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/nfs/dbraw/zinc/89/69/05/861896905.db2.gz NOKFEXRKBDDIPC-VWLOTQADSA-N 0 0 412.489 4.263 20 30 HIEDRN Cc1cc(C)n(CCCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 ZINC000043099182 848383738 /nfs/dbraw/zinc/38/37/38/848383738.db2.gz BCGHSSWYZIBGTL-UHFFFAOYSA-N 0 0 417.513 4.357 20 30 HIEDRN Cc1cc(Cl)ccc1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000043172389 848394070 /nfs/dbraw/zinc/39/40/70/848394070.db2.gz IQTJZBKKFZDEAM-UHFFFAOYSA-N 0 0 411.849 4.122 20 30 HIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000043243492 848398719 /nfs/dbraw/zinc/39/87/19/848398719.db2.gz NTBBNQJRZIXSTD-UHFFFAOYSA-N 0 0 409.389 4.150 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)NC(C)(C)C)C(C)C)nnc1-c1ccccc1OC ZINC000043276178 848403095 /nfs/dbraw/zinc/40/30/95/848403095.db2.gz KIKGUCQTBFBVJK-KRWDZBQOSA-N 0 0 402.564 4.171 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000043341270 848411364 /nfs/dbraw/zinc/41/13/64/848411364.db2.gz LWYABNUJBRYMIL-UHFFFAOYSA-N 0 0 418.419 4.078 20 30 HIEDRN Cc1ccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1NS(C)(=O)=O ZINC000043524041 848436143 /nfs/dbraw/zinc/43/61/43/848436143.db2.gz FGTTVIXPYNBAQI-UHFFFAOYSA-N 0 0 410.520 4.080 20 30 HIEDRN CCNC(=O)c1ccc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000044531678 848565404 /nfs/dbraw/zinc/56/54/04/848565404.db2.gz VWQFEOZUNOGJTA-UHFFFAOYSA-N 0 0 415.518 4.389 20 30 HIEDRN N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1 ZINC000044540526 848567637 /nfs/dbraw/zinc/56/76/37/848567637.db2.gz SEJLECPZBRHIOB-UHFFFAOYSA-N 0 0 413.930 4.320 20 30 HIEDRN Cc1cc(Br)oc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000044551910 848569238 /nfs/dbraw/zinc/56/92/38/848569238.db2.gz HYDUHRXBDLGBJU-UHFFFAOYSA-N 0 0 403.154 4.416 20 30 HIEDRN COc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1NC(C)=O ZINC000044775445 848601020 /nfs/dbraw/zinc/60/10/20/848601020.db2.gz LGZDPUNPABPFNA-UHFFFAOYSA-N 0 0 415.449 4.357 20 30 HIEDRN Cc1nc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)sc1SCC#N ZINC000044789032 848603831 /nfs/dbraw/zinc/60/38/31/848603831.db2.gz QBTXBGMQPXPJGH-JTQLQIEISA-N 0 0 412.334 4.236 20 30 HIEDRN Cc1nc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)sc1SCC#N ZINC000044788993 848603947 /nfs/dbraw/zinc/60/39/47/848603947.db2.gz GYTIASAEJXEXOK-UHFFFAOYSA-N 0 0 411.434 4.074 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000045193448 848646049 /nfs/dbraw/zinc/64/60/49/848646049.db2.gz CIEIXCFAXWDWPQ-UHFFFAOYSA-N 0 0 418.541 4.306 20 30 HIEDRN CN(Cc1ccc(Br)o1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045433323 848680249 /nfs/dbraw/zinc/68/02/49/848680249.db2.gz UFTLAPZFDAJWRQ-UHFFFAOYSA-N 0 0 415.209 4.254 20 30 HIEDRN CCN(C(=O)COc1ccc(F)cc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000045499398 848685611 /nfs/dbraw/zinc/68/56/11/848685611.db2.gz AMBZPEHQCPWFSI-CYBMUJFWSA-N 0 0 405.267 4.448 20 30 HIEDRN CCN(C(=O)COc1ccc(F)cc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000045499397 848685769 /nfs/dbraw/zinc/68/57/69/848685769.db2.gz AMBZPEHQCPWFSI-ZDUSSCGKSA-N 0 0 405.267 4.448 20 30 HIEDRN CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 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COc1ccc(C#N)cc1NC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000050090801 849352428 /nfs/dbraw/zinc/35/24/28/849352428.db2.gz HLNYBRWSTDFOBG-UHFFFAOYSA-N 0 0 411.465 4.287 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000050147305 849357882 /nfs/dbraw/zinc/35/78/82/849357882.db2.gz LRVFUYMPADRZEO-NRFANRHFSA-N 0 0 419.868 4.065 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000050473596 849385005 /nfs/dbraw/zinc/38/50/05/849385005.db2.gz WEKNNHQHRKONJW-QHCPKHFHSA-N 0 0 405.498 4.113 20 30 HIEDRN C=CCc1cc(CNC(=O)CCc2ncc(-c3ccccc3)o2)cc(OC)c1OC ZINC000050526595 849391110 /nfs/dbraw/zinc/39/11/10/849391110.db2.gz FOEBMRCOBUAJJI-UHFFFAOYSA-N 0 0 406.482 4.336 20 30 HIEDRN CCCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000050718325 849405480 /nfs/dbraw/zinc/40/54/80/849405480.db2.gz SMGQUMCXEHGNQY-SFHVURJKSA-N 0 0 407.539 4.088 20 30 HIEDRN CC(=O)NC1CCN(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1 ZINC000050991309 849423561 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CCCc1occc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000409885135 855706595 /nfs/dbraw/zinc/70/65/95/855706595.db2.gz DYJQYUYSIVWYOS-GOSISDBHSA-N 0 0 416.319 4.017 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000437387924 862711247 /nfs/dbraw/zinc/71/12/47/862711247.db2.gz IHSHRSMRAAFSGL-AWEZNQCLSA-N 0 0 401.919 4.438 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H](c3cccc(F)c3F)C(F)(F)F)n2)c1 ZINC000409909272 855718438 /nfs/dbraw/zinc/71/84/38/855718438.db2.gz UFTCSGTWXMZXLC-KRWDZBQOSA-N 0 0 406.314 4.056 20 30 HIEDRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000409909815 855718607 /nfs/dbraw/zinc/71/86/07/855718607.db2.gz VLIKAADMOVQENL-HNNXBMFYSA-N 0 0 419.934 4.030 20 30 HIEDRN CC(C)(COCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000409955482 855744006 /nfs/dbraw/zinc/74/40/06/855744006.db2.gz CQOJLYGQSWMOTN-UHFFFAOYSA-N 0 0 419.525 4.451 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000437391231 862716288 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COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CNc1cccc(C#N)c1 ZINC000426430001 856287040 /nfs/dbraw/zinc/28/70/40/856287040.db2.gz LXWHVKJFMGQXKJ-GOSISDBHSA-N 0 0 414.303 4.105 20 30 HIEDRN COc1ccc(COc2cccc(F)c2)cc1NC(=O)CNc1cccc(C#N)c1 ZINC000426432605 856288088 /nfs/dbraw/zinc/28/80/88/856288088.db2.gz YDPQJHOQUAEXSW-UHFFFAOYSA-N 0 0 405.429 4.336 20 30 HIEDRN N#Cc1cccc(NCC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1 ZINC000426437955 856290248 /nfs/dbraw/zinc/29/02/48/856290248.db2.gz AFMNFZWQYDQBIJ-UHFFFAOYSA-N 0 0 400.269 4.160 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cccc(COC3CCOCC3)c2)cc1 ZINC000426439575 856291185 /nfs/dbraw/zinc/29/11/85/856291185.db2.gz YHIVOJKVONEVDM-UHFFFAOYSA-N 0 0 408.498 4.341 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000426442178 856292627 /nfs/dbraw/zinc/29/26/27/856292627.db2.gz JHPQKJYOWZKRMM-KRWDZBQOSA-N 0 0 418.335 4.061 20 30 HIEDRN Cc1sc(NC(=O)CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c(C#N)c1C ZINC000426453211 856298594 /nfs/dbraw/zinc/29/85/94/856298594.db2.gz DHUBJNFBXHSTJJ-KRWDZBQOSA-N 0 0 423.460 4.267 20 30 HIEDRN CCO[C@@H](C)c1nc(CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000426460165 856302632 /nfs/dbraw/zinc/30/26/32/856302632.db2.gz MGOCOTVSTHXIRG-KRWDZBQOSA-N 0 0 403.979 4.063 20 30 HIEDRN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)CCC#N)c2)cc1 ZINC000426492423 856318019 /nfs/dbraw/zinc/31/80/19/856318019.db2.gz RBCDVGGJPJNULQ-UHFFFAOYSA-N 0 0 413.543 4.206 20 30 HIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1nccs1 ZINC000426513417 856328617 /nfs/dbraw/zinc/32/86/17/856328617.db2.gz IOMFRYRXAOTOAZ-QGZVFWFLSA-N 0 0 406.467 4.013 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H](C)c1cccnc1 ZINC000426534787 856338537 /nfs/dbraw/zinc/33/85/37/856338537.db2.gz YFQWGGAUVSYSQH-KRWDZBQOSA-N 0 0 414.465 4.294 20 30 HIEDRN Cc1cn2c(nc(C)c2-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)s1 ZINC000426581679 856358847 /nfs/dbraw/zinc/35/88/47/856358847.db2.gz VMAVJOBUJXRKDX-UHFFFAOYSA-N 0 0 422.489 4.457 20 30 HIEDRN N#Cc1c(F)cccc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000426634860 856385240 /nfs/dbraw/zinc/38/52/40/856385240.db2.gz QRNKAVNZISKIRK-UHFFFAOYSA-N 0 0 405.395 4.111 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)ccc1Oc1ccccc1 ZINC000426681309 856409257 /nfs/dbraw/zinc/40/92/57/856409257.db2.gz WZSNVVKLKXAMCL-OAQYLSRUSA-N 0 0 412.449 4.048 20 30 HIEDRN C[C@@H]1C(=O)Nc2cc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc2N1C ZINC000426688765 856414003 /nfs/dbraw/zinc/41/40/03/856414003.db2.gz RXKVXKRPQYSTQF-OAHLLOKOSA-N 0 0 412.449 4.380 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437421855 862796347 /nfs/dbraw/zinc/79/63/47/862796347.db2.gz WWVGALDZJVREEI-UAPYVXQJSA-N 0 0 418.463 4.427 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000426744659 856448229 /nfs/dbraw/zinc/44/82/29/856448229.db2.gz XRGFCRJLVMAVMK-QHCPKHFHSA-N 0 0 404.441 4.062 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000426752296 856454855 /nfs/dbraw/zinc/45/48/55/856454855.db2.gz CBBUFPOLBAQDJH-VQIMIIECSA-N 0 0 412.324 4.146 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426786782 856477776 /nfs/dbraw/zinc/47/77/76/856477776.db2.gz YMQLFYPNOMOFQX-HNNXBMFYSA-N 0 0 424.291 4.230 20 30 HIEDRN COc1ccc([C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C(=O)[O-])cc1F ZINC000426820356 856496545 /nfs/dbraw/zinc/49/65/45/856496545.db2.gz KWKMSVPCYDJVQA-HSZRJFAPSA-N 0 0 420.440 4.200 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)cc1C#N ZINC000426826989 856500776 /nfs/dbraw/zinc/50/07/76/856500776.db2.gz VBNHUTCJPDFHJR-GFCCVEGCSA-N 0 0 420.296 4.468 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000426842542 856508874 /nfs/dbraw/zinc/50/88/74/856508874.db2.gz HLLWUQDGBSWVJM-MRXNPFEDSA-N 0 0 410.315 4.362 20 30 HIEDRN CN(CC(=O)N(CCC#N)c1ccccc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426876518 856523406 /nfs/dbraw/zinc/52/34/06/856523406.db2.gz UQYJEFDERQTTJA-HSZRJFAPSA-N 0 0 419.916 4.098 20 30 HIEDRN CC(C)(C)OC1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000426946261 856555707 /nfs/dbraw/zinc/55/57/07/856555707.db2.gz UGDOUTVYHPVYLK-UHFFFAOYSA-N 0 0 421.497 4.095 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000427004621 856590132 /nfs/dbraw/zinc/59/01/32/856590132.db2.gz JFYVLQYKIYPVCZ-HOTGVXAUSA-N 0 0 417.214 4.297 20 30 HIEDRN Cc1sc(NC(=O)CN2C[C@H](c3ccccc3Cl)OC[C@H]2C)c(C#N)c1C ZINC000427020981 856599527 /nfs/dbraw/zinc/59/95/27/856599527.db2.gz DGYZZGOXMNXMCV-KZULUSFZSA-N 0 0 403.935 4.291 20 30 HIEDRN C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(I)cc1 ZINC000437461389 862824364 /nfs/dbraw/zinc/82/43/64/862824364.db2.gz QDARZAXQGDGMCS-CYBMUJFWSA-N 0 0 401.313 4.114 20 30 HIEDRN COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C ZINC000437459909 862823529 /nfs/dbraw/zinc/82/35/29/862823529.db2.gz FESKIWQKUAYATG-UHFFFAOYSA-N 0 0 407.401 4.474 20 30 HIEDRN C=C[C@@H](C)NC(=O)C[C@H](CC(=O)N[C@@H](C)C=C)c1ccc(Br)c(C)c1 ZINC000427163795 856683863 /nfs/dbraw/zinc/68/38/63/856683863.db2.gz JHWNBDNXFYJPIW-SCAQPMJSSA-N 0 0 407.352 4.003 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC ZINC000437465335 862828021 /nfs/dbraw/zinc/82/80/21/862828021.db2.gz DHNMRTSWTOEDLD-POAQFYNOSA-N 0 0 414.575 4.106 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000437467549 862829661 /nfs/dbraw/zinc/82/96/61/862829661.db2.gz NCTIPXSBCLRYKS-VGSWGCGISA-N 0 0 407.539 4.338 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)cc1 ZINC000427281761 856750391 /nfs/dbraw/zinc/75/03/91/856750391.db2.gz CFKJDRQFSBOKJW-UHFFFAOYSA-N 0 0 415.424 4.212 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc3c2OCC(=O)N3)cc1F ZINC000437474347 862835511 /nfs/dbraw/zinc/83/55/11/862835511.db2.gz NMQMLGLCRBDIOO-UHFFFAOYSA-N 0 0 403.369 4.073 20 30 HIEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000427401640 856806542 /nfs/dbraw/zinc/80/65/42/856806542.db2.gz WZYDBWKSQDNXKS-SWLSCSKDSA-N 0 0 411.449 4.051 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427452348 856825807 /nfs/dbraw/zinc/82/58/07/856825807.db2.gz ZRXGEWMTBACFSL-VFNWGFHPSA-N 0 0 406.873 4.017 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000427483598 856838801 /nfs/dbraw/zinc/83/88/01/856838801.db2.gz IBNXNVNALOPNCS-NSHDSACASA-N 0 0 406.269 4.080 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(-c3ccccc3)c(C)c2)c1 ZINC000427509493 856845390 /nfs/dbraw/zinc/84/53/90/856845390.db2.gz NGALEXDLGJBKLN-UHFFFAOYSA-N 0 0 400.478 4.482 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437489713 862847948 /nfs/dbraw/zinc/84/79/48/862847948.db2.gz JCLDJLADBACQLP-UAPYVXQJSA-N 0 0 418.463 4.427 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2)cc1F ZINC000437490315 862849050 /nfs/dbraw/zinc/84/90/50/862849050.db2.gz CVTREZPNWHHQEL-UHFFFAOYSA-N 0 0 421.403 4.387 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000427694578 856911857 /nfs/dbraw/zinc/91/18/57/856911857.db2.gz DHOGJROAEFXGJK-IBGZPJMESA-N 0 0 406.486 4.145 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000437493902 862850955 /nfs/dbraw/zinc/85/09/55/862850955.db2.gz GHXGUGJGRJJPDO-UHFFFAOYSA-N 0 0 407.357 4.415 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 ZINC000437493919 862851391 /nfs/dbraw/zinc/85/13/91/862851391.db2.gz GORGGROJQARONI-WZONZLPQSA-N 0 0 424.566 4.437 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1F ZINC000437500378 862855353 /nfs/dbraw/zinc/85/53/53/862855353.db2.gz VHNYUNPIJRMRRZ-UHFFFAOYSA-N 0 0 419.412 4.466 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1F ZINC000437501116 862855530 /nfs/dbraw/zinc/85/55/30/862855530.db2.gz WHCYRYMSHDSGES-UHFFFAOYSA-N 0 0 419.412 4.466 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1Cl ZINC000427809547 856965123 /nfs/dbraw/zinc/96/51/23/856965123.db2.gz VEZQUSIFGMCXPG-CQSZACIVSA-N 0 0 421.975 4.115 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@]1(CC)OCCc2c3cccc(CC)c3[nH]c21 ZINC000437503979 862856974 /nfs/dbraw/zinc/85/69/74/862856974.db2.gz SWSLCZRFAGYBSZ-FMNCTDSISA-N 0 0 410.558 4.396 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000437507402 862858354 /nfs/dbraw/zinc/85/83/54/862858354.db2.gz LIAMXQGYGFCKJH-UHFFFAOYSA-N 0 0 402.401 4.345 20 30 HIEDRN C=CCn1c(SCC(=O)N2CCS[C@@H](C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000427910263 857003273 /nfs/dbraw/zinc/00/32/73/857003273.db2.gz AWGIBTUQNYDHKC-AWEZNQCLSA-N 0 0 423.007 4.231 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000437512955 862860690 /nfs/dbraw/zinc/86/06/90/862860690.db2.gz FSSFMDMTKPIZJS-RTWAWAEBSA-N 0 0 403.482 4.423 20 30 HIEDRN CCc1ccc([C@@H](COC)NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1 ZINC000437524557 862867060 /nfs/dbraw/zinc/86/70/60/862867060.db2.gz MZMYUPFJTSWIFE-GOSISDBHSA-N 0 0 410.499 4.270 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000428101621 857071830 /nfs/dbraw/zinc/07/18/30/857071830.db2.gz JKYQQPMPECPBSY-UHFFFAOYSA-N 0 0 421.497 4.255 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)nc21 ZINC000428102873 857072641 /nfs/dbraw/zinc/07/26/41/857072641.db2.gz OTJJOTXDXORHGF-FQEVSTJZSA-N 0 0 404.514 4.297 20 30 HIEDRN COc1cc(NC(=O)c2sc3ccc(C#N)cc3c2C)ccc1N1CCCC1=O ZINC000428106275 857073273 /nfs/dbraw/zinc/07/32/73/857073273.db2.gz IPPNIZKFINEPIA-UHFFFAOYSA-N 0 0 405.479 4.469 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000428111664 857075034 /nfs/dbraw/zinc/07/50/34/857075034.db2.gz PXHJVKVMEJHCIL-HNNXBMFYSA-N 0 0 408.445 4.146 20 30 HIEDRN C=C(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC000428115385 857076649 /nfs/dbraw/zinc/07/66/49/857076649.db2.gz LYNAHWYECHRAMB-DEOSSOPVSA-N 0 0 411.505 4.355 20 30 HIEDRN C=C(C)CNC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC000428122447 857080124 /nfs/dbraw/zinc/08/01/24/857080124.db2.gz SJJFPEOIVIHUJL-UHFFFAOYSA-N 0 0 412.721 4.264 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000428162898 857091857 /nfs/dbraw/zinc/09/18/57/857091857.db2.gz SZOAOCCCWWKZTN-YQQAZPJKSA-N 0 0 405.589 4.057 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000437533570 862870474 /nfs/dbraw/zinc/87/04/74/862870474.db2.gz CDWYNJUHCRUYIE-FPOVZHCZSA-N 0 0 423.582 4.210 20 30 HIEDRN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000428179586 857100011 /nfs/dbraw/zinc/10/00/11/857100011.db2.gz XHJFZWKRAAKFNZ-ZMSDIMECSA-N 0 0 405.589 4.200 20 30 HIEDRN N#CCCn1ncc(C(=O)NCc2ccc(OC3CCCC3)nc2)c1-c1ccccc1 ZINC000428206791 857111810 /nfs/dbraw/zinc/11/18/10/857111810.db2.gz KIYFGRDQSIEENY-UHFFFAOYSA-N 0 0 415.497 4.110 20 30 HIEDRN N#Cc1ccc(CNC(=O)COc2cc(Cl)c(Br)cc2Cl)cc1 ZINC000428238720 857122146 /nfs/dbraw/zinc/12/21/46/857122146.db2.gz OLCPPQZNMXPPDZ-UHFFFAOYSA-N 0 0 414.086 4.323 20 30 HIEDRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)S(=O)(=O)c1cccnc1C#N ZINC000428248905 857126410 /nfs/dbraw/zinc/12/64/10/857126410.db2.gz SWLIOGNVOLEFMB-UHFFFAOYSA-N 0 0 415.515 4.420 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428265902 857132980 /nfs/dbraw/zinc/13/29/80/857132980.db2.gz QQPDKYORUWYNDT-UHFFFAOYSA-N 0 0 400.482 4.301 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000428264344 857133130 /nfs/dbraw/zinc/13/31/30/857133130.db2.gz CCPZRWMWIRVGAX-NHCUHLMSSA-N 0 0 417.509 4.033 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)C(=O)c3ccc(Cl)s3)s2)cc1 ZINC000428317426 857150071 /nfs/dbraw/zinc/15/00/71/857150071.db2.gz HBVKUOYICDSYSJ-UHFFFAOYSA-N 0 0 420.928 4.238 20 30 HIEDRN Cc1nnc(-c2cccc(C#N)c2)n1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000428323980 857153442 /nfs/dbraw/zinc/15/34/42/857153442.db2.gz CDRJXIYKALNRAG-UHFFFAOYSA-N 0 0 401.451 4.026 20 30 HIEDRN N#Cc1c(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)sc2c1CCCCC2 ZINC000428349032 857166070 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C=CCC(C)(C)C(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000429826318 857899477 /nfs/dbraw/zinc/89/94/77/857899477.db2.gz HKGFFSLWPBBEHC-UHFFFAOYSA-N 0 0 422.451 4.002 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000429887509 857927339 /nfs/dbraw/zinc/92/73/39/857927339.db2.gz QQGCFLBOMJCBEG-FQEVSTJZSA-N 0 0 423.513 4.024 20 30 HIEDRN C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000429889006 857929497 /nfs/dbraw/zinc/92/94/97/857929497.db2.gz LXOLTBHAKAKTPG-ZDUSSCGKSA-N 0 0 418.494 4.091 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000429906051 857939405 /nfs/dbraw/zinc/93/94/05/857939405.db2.gz GZUVBDRWGITBFE-OAHLLOKOSA-N 0 0 401.495 4.495 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429926993 857951772 /nfs/dbraw/zinc/95/17/72/857951772.db2.gz BCEJPHIUTMAICN-UHFFFAOYSA-N 0 0 402.248 4.281 20 30 HIEDRN CN(CCOc1ccc(Br)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000429936984 857957961 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4.732 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccccc1OC1CCCC1 ZINC000432484644 859187683 /nfs/dbraw/zinc/18/76/83/859187683.db2.gz GUUCQCYGKPXSBX-UHFFFAOYSA-N 0 0 405.498 4.305 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000432485686 859188913 /nfs/dbraw/zinc/18/89/13/859188913.db2.gz NJHNGKDXHDJKPU-RUZDIDTESA-N 0 0 412.493 4.100 20 30 HIEDRN CC(C)CC(=O)Nc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000432584804 859240175 /nfs/dbraw/zinc/24/01/75/859240175.db2.gz AWLJUHMGFDTOSK-UHFFFAOYSA-N 0 0 406.486 4.290 20 30 HIEDRN COc1cc(NC(=O)NCC2(CC#N)CC2)c(Br)cc1Br ZINC000432596945 859246769 /nfs/dbraw/zinc/24/67/69/859246769.db2.gz WODQHLGUCKOELP-UHFFFAOYSA-N 0 0 417.101 4.036 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@]2(CCCOC2)O1 ZINC000432603591 859251019 /nfs/dbraw/zinc/25/10/19/859251019.db2.gz VTWCSOHJLFRUHP-HXOBKFHXSA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H](c3ccccc3)C3CC3)CC2)c1 ZINC000432617685 859257212 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4.379 20 30 HIEDRN CC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000432714806 859314855 /nfs/dbraw/zinc/31/48/55/859314855.db2.gz VTYQAMNUUDAYKH-LJQANCHMSA-N 0 0 415.497 4.325 20 30 HIEDRN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2ccc(C#N)nc2)c1 ZINC000432715272 859314935 /nfs/dbraw/zinc/31/49/35/859314935.db2.gz YRUOLEJANNBCGQ-UHFFFAOYSA-N 0 0 424.869 4.192 20 30 HIEDRN C[C@H](NC(=O)c1cscc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000432717012 859315742 /nfs/dbraw/zinc/31/57/42/859315742.db2.gz LJNVANCYYCSIFL-AWEZNQCLSA-N 0 0 407.470 4.431 20 30 HIEDRN COc1ccc(NC(=O)c2ccc(C#N)s2)cc1NC(=O)c1ccc(C#N)s1 ZINC000432717879 859316084 /nfs/dbraw/zinc/31/60/84/859316084.db2.gz NVALQFJJDLSBAJ-UHFFFAOYSA-N 0 0 408.464 4.066 20 30 HIEDRN CCC(CC)(CCO)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000467599013 881407276 /nfs/dbraw/zinc/40/72/76/881407276.db2.gz CMGGHEIYGMYUAM-UHFFFAOYSA-N 0 0 408.502 4.121 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)c2ccccc2S1 ZINC000432760331 859338799 /nfs/dbraw/zinc/33/87/99/859338799.db2.gz NAEWPBYZIRZXOG-LBPRGKRZSA-N 0 0 423.357 4.400 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCNC(=O)[C@@H]1CC(C)C ZINC000432767751 859347550 /nfs/dbraw/zinc/34/75/50/859347550.db2.gz IPEZMRRTGPEHMC-QFIPXVFZSA-N 0 0 420.513 4.428 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000432771618 859351814 /nfs/dbraw/zinc/35/18/14/859351814.db2.gz YAYPYSJLQNDHIR-INIZCTEOSA-N 0 0 408.502 4.333 20 30 HIEDRN CN(C)c1ccc(S(=O)(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cc1 ZINC000432773322 859352710 /nfs/dbraw/zinc/35/27/10/859352710.db2.gz FBEQYQRZDSCJNJ-UHFFFAOYSA-N 0 0 421.522 4.198 20 30 HIEDRN CC(C)C[C@H]1C(=O)NCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000432799523 859365944 /nfs/dbraw/zinc/36/59/44/859365944.db2.gz CBTNCAVMWURPAW-NRFANRHFSA-N 0 0 406.486 4.119 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000432828712 859376924 /nfs/dbraw/zinc/37/69/24/859376924.db2.gz LXPKWTBAFPDCBZ-UHFFFAOYSA-N 0 0 422.286 4.340 20 30 HIEDRN COc1ccc(-n2ccc(CNC(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 ZINC000432839238 859381650 /nfs/dbraw/zinc/38/16/50/859381650.db2.gz GPJDRHSUFFLHDW-UHFFFAOYSA-N 0 0 402.479 4.206 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)NCc2ccn(C3CCCC3)n2)cc1 ZINC000432849783 859387709 /nfs/dbraw/zinc/38/77/09/859387709.db2.gz GNRXUNAYKRIOFB-UHFFFAOYSA-N 0 0 400.482 4.379 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CC4(C3)CCOCC4)cc2Cl)c1 ZINC000432852984 859390040 /nfs/dbraw/zinc/39/00/40/859390040.db2.gz IOPPHPJUCLMXBH-UHFFFAOYSA-N 0 0 411.889 4.435 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432854127 859390139 /nfs/dbraw/zinc/39/01/39/859390139.db2.gz WXFSSFFFGDVINL-OAHLLOKOSA-N 0 0 411.346 4.080 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432879059 859403879 /nfs/dbraw/zinc/40/38/79/859403879.db2.gz NWQATIGSDCGOOL-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nn(C)cc1Br ZINC000432878354 859404093 /nfs/dbraw/zinc/40/40/93/859404093.db2.gz IEWRGAZFCDDUAM-UHFFFAOYSA-N 0 0 411.259 4.407 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 ZINC000432921740 859431470 /nfs/dbraw/zinc/43/14/70/859431470.db2.gz GAMCHGWJLFIMCT-HSZRJFAPSA-N 0 0 406.530 4.118 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)cc1C(F)(F)F ZINC000432960369 859449683 /nfs/dbraw/zinc/44/96/83/859449683.db2.gz OAPXTVHKLWMMNE-UHFFFAOYSA-N 0 0 420.366 4.012 20 30 HIEDRN N#CCCC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccccc1 ZINC000433136582 859535314 /nfs/dbraw/zinc/53/53/14/859535314.db2.gz YDJSDIQSCIDTJY-NRFANRHFSA-N 0 0 416.481 4.249 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccccc1 ZINC000433159415 859545889 /nfs/dbraw/zinc/54/58/89/859545889.db2.gz DKSGRFMFPJEHEZ-GOSISDBHSA-N 0 0 409.490 4.825 20 30 HIEDRN Cc1ccc(Cc2nnc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433172925 859552795 /nfs/dbraw/zinc/55/27/95/859552795.db2.gz DTQICNQGHKKMLO-IBGZPJMESA-N 0 0 405.527 4.994 20 30 HIEDRN CCc1nc(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)n[nH]1 ZINC000433193747 859561946 /nfs/dbraw/zinc/56/19/46/859561946.db2.gz LDVVUJWOVNAHMP-INIZCTEOSA-N 0 0 400.269 4.336 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN1CCOCC1)c1ccccc1 ZINC000433233860 859582307 /nfs/dbraw/zinc/58/23/07/859582307.db2.gz HXJSQHGHIICWME-UHFFFAOYSA-N 0 0 405.523 4.060 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CC(=O)N(CC4CC4)C3)cc2Cl)cc1 ZINC000433240778 859585517 /nfs/dbraw/zinc/58/55/17/859585517.db2.gz PBLLBLQEABEYRH-UHFFFAOYSA-N 0 0 410.861 4.048 20 30 HIEDRN COC[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[C@@H]1CCCO1 ZINC000433241592 859586677 /nfs/dbraw/zinc/58/66/77/859586677.db2.gz RDOMPGMNJFPQSF-ICSRJNTNSA-N 0 0 415.877 4.319 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC(=O)N(CC3CC3)C2)cc1Cl ZINC000433249058 859590987 /nfs/dbraw/zinc/59/09/87/859590987.db2.gz VHWMRFFQMMHAOC-LJQANCHMSA-N 0 0 408.889 4.039 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NCCCc1ccc(Br)cc1F ZINC000433340145 859653697 /nfs/dbraw/zinc/65/36/97/859653697.db2.gz AUANBIPNQQHPCE-KRWDZBQOSA-N 0 0 403.295 4.410 20 30 HIEDRN Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1C(=O)N(C)C(C)C ZINC000433341690 859655185 /nfs/dbraw/zinc/65/51/85/859655185.db2.gz TYFLIPPDMGOTIP-UHFFFAOYSA-N 0 0 416.529 4.260 20 30 HIEDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H](C#N)CCc3ccccc3)C2)cc1 ZINC000433347281 859656445 /nfs/dbraw/zinc/65/64/45/859656445.db2.gz LVPAVIMYCZILCW-VXKWHMMOSA-N 0 0 418.541 4.128 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000433364899 859660519 /nfs/dbraw/zinc/66/05/19/859660519.db2.gz VQKDHIRZVMJEDB-AWEZNQCLSA-N 0 0 423.257 4.439 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC000433382231 859667107 /nfs/dbraw/zinc/66/71/07/859667107.db2.gz CSUNTHXONHGPRJ-GDBMZVCRSA-N 0 0 410.358 4.421 20 30 HIEDRN C=CCOc1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2C)cc1OC ZINC000433397279 859675704 /nfs/dbraw/zinc/67/57/04/859675704.db2.gz ZVJPVHMFUXMSGV-GOSISDBHSA-N 0 0 403.276 4.219 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433404772 859681489 /nfs/dbraw/zinc/68/14/89/859681489.db2.gz BDPASKLKFIRJDW-UHFFFAOYSA-N 0 0 411.383 4.414 20 30 HIEDRN O=C(c1ccc(Cl)cc1NCC#Cc1ccc(F)cc1)N1CCCC[C@H]1CCO ZINC000433485184 859727189 /nfs/dbraw/zinc/72/71/89/859727189.db2.gz XWNKQTZNYGHMGD-FQEVSTJZSA-N 0 0 414.908 4.320 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Nc2c3c(ccc2Cl)OCC3)CC1 ZINC000433492686 859731003 /nfs/dbraw/zinc/73/10/03/859731003.db2.gz VTZSJIVZDACFEU-UHFFFAOYSA-N 0 0 412.877 4.053 20 30 HIEDRN CC(C)OC[C@@H](CO)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000433498063 859735770 /nfs/dbraw/zinc/73/57/70/859735770.db2.gz TUOJPFSLFBKKSD-QGZVFWFLSA-N 0 0 417.893 4.254 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3NC3CC3)C2)n1 ZINC000467666090 881459168 /nfs/dbraw/zinc/45/91/68/881459168.db2.gz GBFVZLFBZUCLSS-INIZCTEOSA-N 0 0 409.921 4.345 20 30 HIEDRN Cc1cc(C)nc(-n2nccc2NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 ZINC000433555637 859774065 /nfs/dbraw/zinc/77/40/65/859774065.db2.gz QGOVMWAICXPSSC-UHFFFAOYSA-N 0 0 424.464 4.390 20 30 HIEDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433615590 859810952 /nfs/dbraw/zinc/81/09/52/859810952.db2.gz DNLOUPJQLZORGX-FMGDLQRFSA-N 0 0 416.337 4.054 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433655415 859826009 /nfs/dbraw/zinc/82/60/09/859826009.db2.gz GZMYTXFDWBBFNG-ZDUSSCGKSA-N 0 0 419.909 4.470 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)NCCc3cc4ccccc4[nH]3)s2)cc1 ZINC000433664793 859829996 /nfs/dbraw/zinc/82/99/96/859829996.db2.gz QHVHOTDXDGCBIR-UHFFFAOYSA-N 0 0 401.495 4.451 20 30 HIEDRN C=CCc1cc(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc(OC)c1OC ZINC000433682646 859837070 /nfs/dbraw/zinc/83/70/70/859837070.db2.gz KGWOAYQNRISLLN-UHFFFAOYSA-N 0 0 419.481 4.290 20 30 HIEDRN C[C@H]1CC2(CCC2)CN1C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000433685306 859837869 /nfs/dbraw/zinc/83/78/69/859837869.db2.gz VISPRZWRGRSGPC-SFHVURJKSA-N 0 0 417.509 4.061 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000433688918 859838810 /nfs/dbraw/zinc/83/88/10/859838810.db2.gz GHOPNMHVOKQORD-FQEVSTJZSA-N 0 0 408.527 4.323 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433697312 859841839 /nfs/dbraw/zinc/84/18/39/859841839.db2.gz NACGFPWISOXSHU-WZONZLPQSA-N 0 0 416.525 4.099 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 ZINC000467675745 881468433 /nfs/dbraw/zinc/46/84/33/881468433.db2.gz JHGXXZHIQIEMRZ-UHFFFAOYSA-N 0 0 416.481 4.319 20 30 HIEDRN COc1ccc([C@@H](N[C@H]2CCN(c3sccc3C#N)C2=O)c2ccc(C)cc2)cc1 ZINC000433698857 859842683 /nfs/dbraw/zinc/84/26/83/859842683.db2.gz IRXBVZJQHNCKNV-VXKWHMMOSA-N 0 0 417.534 4.421 20 30 HIEDRN COc1ccc([C@H](N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 ZINC000433700942 859843339 /nfs/dbraw/zinc/84/33/39/859843339.db2.gz YGPNCYYEHZJYLF-DNQXCXABSA-N 0 0 415.468 4.190 20 30 HIEDRN CN(C(=O)c1ccccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C1CCCCC1 ZINC000433709565 859846814 /nfs/dbraw/zinc/84/68/14/859846814.db2.gz ODGMZLHFQWPOSP-HSZRJFAPSA-N 0 0 416.525 4.180 20 30 HIEDRN CN(C(=O)c1ccccc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C1CCCCC1 ZINC000433709567 859846917 /nfs/dbraw/zinc/84/69/17/859846917.db2.gz ODGMZLHFQWPOSP-QHCPKHFHSA-N 0 0 416.525 4.180 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2cccc(OCc3cccc(C#N)c3)c2)C1=O ZINC000433710960 859847796 /nfs/dbraw/zinc/84/77/96/859847796.db2.gz CMNBPZIQIDKHLX-NRFANRHFSA-N 0 0 414.490 4.288 20 30 HIEDRN Cc1cc(C(=O)NC2CCCCC2)ccc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433716833 859850953 /nfs/dbraw/zinc/85/09/53/859850953.db2.gz ATLQOGGOFPFROH-HXUWFJFHSA-N 0 0 422.554 4.208 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CC[C@@H](CC(F)(F)F)C2)nnc1-c1ccco1 ZINC000433718386 859851558 /nfs/dbraw/zinc/85/15/58/859851558.db2.gz MVSVMYQFWIXRKI-ZDUSSCGKSA-N 0 0 414.453 4.007 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Cc2cc(F)ccc2Br)cc1 ZINC000433728447 859858930 /nfs/dbraw/zinc/85/89/30/859858930.db2.gz MERDJTFIIPXPLM-UHFFFAOYSA-N 0 0 406.255 4.077 20 30 HIEDRN CCNC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000433739461 859867360 /nfs/dbraw/zinc/86/73/60/859867360.db2.gz YLYGJJYASXQOKS-GHTZIAJQSA-N 0 0 405.502 4.440 20 30 HIEDRN CCNC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000433739462 859867439 /nfs/dbraw/zinc/86/74/39/859867439.db2.gz YLYGJJYASXQOKS-NQIIRXRSSA-N 0 0 405.502 4.440 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)C1=O ZINC000433762845 859882475 /nfs/dbraw/zinc/88/24/75/859882475.db2.gz SHDYFQRFQIIPND-GOSISDBHSA-N 0 0 419.466 4.489 20 30 HIEDRN Cc1cc(C[C@H](C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)n(-c2ccccc2)n1 ZINC000433816334 859909909 /nfs/dbraw/zinc/90/99/09/859909909.db2.gz UZQJEVYRFQXGKL-INIZCTEOSA-N 0 0 404.518 4.362 20 30 HIEDRN CC(C)c1[nH]nc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1[N+](=O)[O-] ZINC000433838255 859924721 /nfs/dbraw/zinc/92/47/21/859924721.db2.gz JSZWOFBDTQKRQW-UHFFFAOYSA-N 0 0 419.441 4.339 20 30 HIEDRN COc1cccc(-c2noc([C@H](C)NC(=O)Nc3cc(C#N)cn3C(C)(C)C)n2)c1 ZINC000433840965 859927012 /nfs/dbraw/zinc/92/70/12/859927012.db2.gz HSJHMGOQBGJXKG-ZDUSSCGKSA-N 0 0 408.462 4.056 20 30 HIEDRN COc1ccccc1-c1noc([C@H](C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 ZINC000433843133 859927911 /nfs/dbraw/zinc/92/79/11/859927911.db2.gz SBJSNPULEJCMRT-ZDUSSCGKSA-N 0 0 408.462 4.056 20 30 HIEDRN N#CCCN(C(=O)c1ccc(OCC(F)(F)F)cn1)C12CC3CC(CC(C3)C1)C2 ZINC000433855173 859936176 /nfs/dbraw/zinc/93/61/76/859936176.db2.gz RLFFKRBAEOEXOX-UHFFFAOYSA-N 0 0 407.436 4.347 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)c(F)c1 ZINC000433880888 859949552 /nfs/dbraw/zinc/94/95/52/859949552.db2.gz CWBCDUJCHLXOOC-UHFFFAOYSA-N 0 0 405.454 4.103 20 30 HIEDRN C=CCc1ccc(OCC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(OC)c1 ZINC000433937793 859985794 /nfs/dbraw/zinc/98/57/94/859985794.db2.gz YZRUGOZVXJSMRW-UHFFFAOYSA-N 0 0 405.454 4.369 20 30 HIEDRN O=C(NCCOCC(F)(F)C(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000433940223 859988212 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HIEDRN CCNC(=O)Nc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1C ZINC000434032151 860052529 /nfs/dbraw/zinc/05/25/29/860052529.db2.gz QIBZFWFVXKTYSD-UHFFFAOYSA-N 0 0 418.453 4.432 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)[C@@H]1C#N ZINC000434033332 860052990 /nfs/dbraw/zinc/05/29/90/860052990.db2.gz WVSKFLOFMHDAEJ-OAHLLOKOSA-N 0 0 422.272 4.242 20 30 HIEDRN CCOc1ccc2c(c1)CCN(C(=O)c1ccc(COc3ccccc3C#N)o1)C2 ZINC000434099295 860104416 /nfs/dbraw/zinc/10/44/16/860104416.db2.gz HLMPSLAQRAMTFQ-UHFFFAOYSA-N 0 0 402.450 4.327 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434151691 860147375 /nfs/dbraw/zinc/14/73/75/860147375.db2.gz RRBNHSWMPLMMPP-DVOMOZLQSA-N 0 0 401.454 4.248 20 30 HIEDRN COc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3OC(C)C)n[nH]2)cc1OC ZINC000434190063 860178739 /nfs/dbraw/zinc/17/87/39/860178739.db2.gz GVIDBQUAPJBIOG-UHFFFAOYSA-N 0 0 406.442 4.005 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](OCCO)C3)cc2Cl)cc1 ZINC000434194062 860181261 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HIEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cccc(COCC3CC3)c2)cc1C(F)(F)F ZINC000438760786 864255542 /nfs/dbraw/zinc/25/55/42/864255542.db2.gz XZOQPCWGCWGDTP-UHFFFAOYSA-N 0 0 417.387 4.081 20 30 HIEDRN N#CCCSc1ccccc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438768619 864263927 /nfs/dbraw/zinc/26/39/27/864263927.db2.gz DQVGMKUTRSPDDN-UHFFFAOYSA-N 0 0 415.309 4.395 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1F ZINC000438826882 864320396 /nfs/dbraw/zinc/32/03/96/864320396.db2.gz QFJOSQWJBGTYOV-SFHVURJKSA-N 0 0 419.387 4.373 20 30 HIEDRN C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000438838827 864332682 /nfs/dbraw/zinc/33/26/82/864332682.db2.gz UFQJFTCWSVCIGJ-IERDGZPVSA-N 0 0 405.502 4.376 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000438845852 864342287 /nfs/dbraw/zinc/34/22/87/864342287.db2.gz FOSYNGHNYIFPCH-SFHVURJKSA-N 0 0 418.328 4.265 20 30 HIEDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000467893927 881756245 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CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000439604152 864928033 /nfs/dbraw/zinc/92/80/33/864928033.db2.gz OAWNHMGOYXTMLP-UHFFFAOYSA-N 0 0 403.498 4.264 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000439607648 864929822 /nfs/dbraw/zinc/92/98/22/864929822.db2.gz UAYNKQRULATDDE-UHFFFAOYSA-N 0 0 418.497 4.468 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000439608287 864930041 /nfs/dbraw/zinc/93/00/41/864930041.db2.gz YBHXYFTUVXGFBH-UHFFFAOYSA-N 0 0 416.319 4.329 20 30 HIEDRN N#CCC[C@H](NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1ccccc1 ZINC000439658457 864986375 /nfs/dbraw/zinc/98/63/75/864986375.db2.gz NWRGUMHMFHDGCJ-KRWDZBQOSA-N 0 0 405.479 4.356 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000439660331 864988639 /nfs/dbraw/zinc/98/86/39/864988639.db2.gz YGERFYKJRYUYMV-GOSISDBHSA-N 0 0 410.520 4.356 20 30 HIEDRN N#CCC[C@H](NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000439664766 864994747 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HIEDRN CCCc1c(NC(=O)N[C@@H](C)Cc2c(C)noc2C)cnn1-c1cccc(C#N)c1 ZINC000439672812 865006393 /nfs/dbraw/zinc/00/63/93/865006393.db2.gz LITRWEYEQFKLMY-AWEZNQCLSA-N 0 0 406.490 4.054 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@H](CCC#N)c2ccccc2)nnc1-c1ccco1 ZINC000439675374 865008136 /nfs/dbraw/zinc/00/81/36/865008136.db2.gz SXUKKSLHEFPCAO-GOSISDBHSA-N 0 0 421.526 4.368 20 30 HIEDRN N#CCC[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 ZINC000439678097 865012112 /nfs/dbraw/zinc/01/21/12/865012112.db2.gz MGGWKFAKMNBWJU-FQEVSTJZSA-N 0 0 406.436 4.414 20 30 HIEDRN CCCc1c(NC(=O)NCCCc2ccc(O)cc2)cnn1-c1cccc(C#N)c1 ZINC000439677917 865012396 /nfs/dbraw/zinc/01/23/96/865012396.db2.gz AOAZABYPOAJHHB-UHFFFAOYSA-N 0 0 403.486 4.156 20 30 HIEDRN CCOc1ccc(-c2noc(CCC(=O)N[C@H](CCC#N)c3ccccc3)n2)cc1 ZINC000439677980 865012444 /nfs/dbraw/zinc/01/24/44/865012444.db2.gz LJMROTNPFNGDRJ-HXUWFJFHSA-N 0 0 404.470 4.229 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@H](C)Oc2ccccc2F)cnn1-c1cccc(C#N)c1 ZINC000439683207 865019071 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4.412 20 30 HIEDRN CCCc1c(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cnn1-c1cccc(C#N)c1 ZINC000439698536 865035724 /nfs/dbraw/zinc/03/57/24/865035724.db2.gz XSWVLIHQMTWOHY-AVRDEDQJSA-N 0 0 409.534 4.149 20 30 HIEDRN CC(=O)N(c1nc(CN(C#N)c2ccc(F)c(C#N)c2)cs1)c1ccc(F)cc1 ZINC000439701237 865038434 /nfs/dbraw/zinc/03/84/34/865038434.db2.gz VUGGIKFBVHXSPN-UHFFFAOYSA-N 0 0 409.421 4.465 20 30 HIEDRN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779140 865102992 /nfs/dbraw/zinc/10/29/92/865102992.db2.gz CAWGHBXCIDQETR-JPYJTQIMSA-N 0 0 422.598 4.378 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)c1 ZINC000439786029 865106787 /nfs/dbraw/zinc/10/67/87/865106787.db2.gz WKXAAGQJTQGFIR-UHFFFAOYSA-N 0 0 406.461 4.457 20 30 HIEDRN Cc1oc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000439791714 865111832 /nfs/dbraw/zinc/11/18/32/865111832.db2.gz GQEYSTKAJBSNAC-UHFFFAOYSA-N 0 0 417.509 4.181 20 30 HIEDRN Cc1noc(C2CCC(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)n1 ZINC000439831659 865147084 /nfs/dbraw/zinc/14/70/84/865147084.db2.gz VSRIYBPPIVMMPH-UHFFFAOYSA-N 0 0 402.454 4.498 20 30 HIEDRN C=CCN(C(=O)[C@@H](C)CSCc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000439956563 865249471 /nfs/dbraw/zinc/24/94/71/865249471.db2.gz AZTVSIGPFVFVHQ-OALUTQOASA-N 0 0 421.570 4.307 20 30 HIEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000439983484 865288760 /nfs/dbraw/zinc/28/87/60/865288760.db2.gz ZLQUAFNQCZCSSI-SANMLTNESA-N 0 0 423.472 4.132 20 30 HIEDRN CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)c1ccc(C#N)cc1 ZINC000440057231 865331125 /nfs/dbraw/zinc/33/11/25/865331125.db2.gz AMUPFZBIXXFALG-UHFFFAOYSA-N 0 0 421.298 4.272 20 30 HIEDRN CCCc1c(NC(=O)C[C@H]2OCCc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000440075940 865341993 /nfs/dbraw/zinc/34/19/93/865341993.db2.gz ISGBAHNUCXPBBA-HSZRJFAPSA-N 0 0 400.482 4.339 20 30 HIEDRN CCCc1c(NC(=O)c2cnn(CCC(F)(F)F)c2)cnn1-c1cccc(C#N)c1 ZINC000440091374 865352811 /nfs/dbraw/zinc/35/28/11/865352811.db2.gz YBJBMCPJEZRUFE-UHFFFAOYSA-N 0 0 416.407 4.098 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC000440090388 865353391 /nfs/dbraw/zinc/35/33/91/865353391.db2.gz ULMWKFUTOJWRBH-UHFFFAOYSA-N 0 0 419.441 4.256 20 30 HIEDRN CCCc1c(NC(=O)CCc2cc(OC)cc(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440095958 865357331 /nfs/dbraw/zinc/35/73/31/865357331.db2.gz XTHSRKJLISUPBW-UHFFFAOYSA-N 0 0 418.497 4.285 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000440113617 865366925 /nfs/dbraw/zinc/36/69/25/865366925.db2.gz WQOHKMQKRKMHOG-UHFFFAOYSA-N 0 0 420.271 4.291 20 30 HIEDRN CSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000440130266 865374449 /nfs/dbraw/zinc/37/44/49/865374449.db2.gz GCRKUZPRNPSAJG-HUUCEWRRSA-N 0 0 413.568 4.476 20 30 HIEDRN Cc1cccc(-c2cc(Cl)ccc2NC(=O)C(=O)NCCc2cccc(C#N)c2)c1 ZINC000440143757 865377607 /nfs/dbraw/zinc/37/76/07/865377607.db2.gz JZKNWTZRGRBGBI-UHFFFAOYSA-N 0 0 417.896 4.485 20 30 HIEDRN CC(C)c1nnc2n1CCN(C(=O)c1cccc(COc3ccccc3C#N)c1)[C@H]2C ZINC000440150734 865382283 /nfs/dbraw/zinc/38/22/83/865382283.db2.gz NAUJHJPCCBTWDX-KRWDZBQOSA-N 0 0 415.497 4.069 20 30 HIEDRN Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1Br ZINC000440205855 865437101 /nfs/dbraw/zinc/43/71/01/865437101.db2.gz IMEBGYCWTXIUNL-UHFFFAOYSA-N 0 0 414.303 4.444 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC ZINC000440258653 865506383 /nfs/dbraw/zinc/50/63/83/865506383.db2.gz IXAPDVZDPOHBLK-MRXNPFEDSA-N 0 0 400.450 4.344 20 30 HIEDRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@@H](CCC#N)c1ccccc1)CC3 ZINC000440257793 865506635 /nfs/dbraw/zinc/50/66/35/865506635.db2.gz RNFTYRNNUUPHPS-FQEVSTJZSA-N 0 0 416.481 4.067 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000468061929 881881803 /nfs/dbraw/zinc/88/18/03/881881803.db2.gz MZKVWPNTONRCMM-HXUWFJFHSA-N 0 0 414.527 4.173 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1C#N ZINC000440331767 865611903 /nfs/dbraw/zinc/61/19/03/865611903.db2.gz ATUOHJGMTZARGR-UHFFFAOYSA-N 0 0 416.437 4.110 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1OC(F)F ZINC000440368131 865652928 /nfs/dbraw/zinc/65/29/28/865652928.db2.gz YTGVWKNMKFLUHE-LBPRGKRZSA-N 0 0 419.453 4.425 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000468082694 881892610 /nfs/dbraw/zinc/89/26/10/881892610.db2.gz ZVIBABOMDZHJNF-HSZRJFAPSA-N 0 0 401.510 4.279 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000440400879 865691713 /nfs/dbraw/zinc/69/17/13/865691713.db2.gz BPMUFNNVJLNATH-UHFFFAOYSA-N 0 0 421.566 4.195 20 30 HIEDRN N#Cc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1Cl ZINC000440422602 865721883 /nfs/dbraw/zinc/72/18/83/865721883.db2.gz SOVSBQNZGQZFCW-UHFFFAOYSA-N 0 0 424.913 4.424 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1NCCCNC(=O)c1cccs1 ZINC000440635924 865851304 /nfs/dbraw/zinc/85/13/04/865851304.db2.gz DXMOPTJRAUKZHN-UHFFFAOYSA-N 0 0 415.316 4.162 20 30 HIEDRN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c(OC(C)(C)C)c1 ZINC000440642358 865853895 /nfs/dbraw/zinc/85/38/95/865853895.db2.gz XUHFRYFFZYEEDS-NRFANRHFSA-N 0 0 420.557 4.280 20 30 HIEDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000440649425 865855997 /nfs/dbraw/zinc/85/59/97/865855997.db2.gz QMNPMPONDOJLCX-UHFFFAOYSA-N 0 0 409.877 4.112 20 30 HIEDRN CCO[C@@H]1C[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)[C@@]12CCCO2 ZINC000440660824 865859500 /nfs/dbraw/zinc/85/95/00/865859500.db2.gz ITWOFLZYRPYYFS-MDZRGWNJSA-N 0 0 402.292 4.007 20 30 HIEDRN COC(=O)c1cc(CNc2c(C#N)cnc3c(Br)cccc32)oc1C ZINC000440668860 865861259 /nfs/dbraw/zinc/86/12/59/865861259.db2.gz SEIUQTAHHCERLW-UHFFFAOYSA-N 0 0 400.232 4.169 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)CCO2)c1 ZINC000440728442 865877661 /nfs/dbraw/zinc/87/76/61/865877661.db2.gz DBUXASWWNCFCNP-HXUWFJFHSA-N 0 0 414.427 4.500 20 30 HIEDRN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000440728016 865877710 /nfs/dbraw/zinc/87/77/10/865877710.db2.gz CRWJPIZNLGGXPE-AUUYWEPGSA-N 0 0 413.315 4.245 20 30 HIEDRN N#C[C@H]1N(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCC[C@]12CCCCO2 ZINC000468107854 881922737 /nfs/dbraw/zinc/92/27/37/881922737.db2.gz BUBTZLACZBQSNI-FYYLOGMGSA-N 0 0 424.522 4.254 20 30 HIEDRN N#Cc1cn(Cc2ccnc(-c3ccc(Br)cc3)n2)c2ccccc2c1=O ZINC000440866892 865964628 /nfs/dbraw/zinc/96/46/28/865964628.db2.gz LEKHBECNGRKPFA-UHFFFAOYSA-N 0 0 417.266 4.141 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2ccncc2Oc2ccccc2)CC1 ZINC000440873466 865968778 /nfs/dbraw/zinc/96/87/78/865968778.db2.gz SVCXSCQTFVKEQP-UHFFFAOYSA-N 0 0 414.465 4.261 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3ncccc3Oc3ccccc3)CC2)c(Cl)c1 ZINC000440875620 865972065 /nfs/dbraw/zinc/97/20/65/865972065.db2.gz FOTTUOHRVBTKNI-UHFFFAOYSA-N 0 0 418.884 4.361 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@]2(CO)CCOc3ccccc32)cc1 ZINC000440918489 866014464 /nfs/dbraw/zinc/01/44/64/866014464.db2.gz BOFXDHBHGKCFDP-DEOSSOPVSA-N 0 0 415.449 4.142 20 30 HIEDRN C=CCOc1cccc(NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000440939647 866038510 /nfs/dbraw/zinc/03/85/10/866038510.db2.gz LWHRZTRJLUYPGK-UZUQRXQVSA-N 0 0 408.502 4.173 20 30 HIEDRN CCc1nc(C(C)(C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)no1 ZINC000440962272 866048508 /nfs/dbraw/zinc/04/85/08/866048508.db2.gz CMLJYTZEDDLSHZ-UHFFFAOYSA-N 0 0 423.448 4.279 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCC[C@]12CCCCO2 ZINC000468111762 881934197 /nfs/dbraw/zinc/93/41/97/881934197.db2.gz WREJLFPZYJWGNG-SIKLNZKXSA-N 0 0 415.440 4.006 20 30 HIEDRN Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)o1 ZINC000440968570 866054360 /nfs/dbraw/zinc/05/43/60/866054360.db2.gz WIBHQCHYUDWZNK-FQEVSTJZSA-N 0 0 409.486 4.353 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)ccc1F ZINC000440971414 866056703 /nfs/dbraw/zinc/05/67/03/866056703.db2.gz ZIQNZBOXNJRHMK-GOSISDBHSA-N 0 0 419.378 4.408 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000440970745 866057157 /nfs/dbraw/zinc/05/71/57/866057157.db2.gz UINHMPGDKWYFLV-SFHVURJKSA-N 0 0 401.388 4.269 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCSc2ccc(Br)cc2)CCC[C@]12CCCCO2 ZINC000468113336 881935460 /nfs/dbraw/zinc/93/54/60/881935460.db2.gz LPNIWFKJBPFIFA-PKOBYXMFSA-N 0 0 423.376 4.385 20 30 HIEDRN CC1(C)CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440975625 866061635 /nfs/dbraw/zinc/06/16/35/866061635.db2.gz VAWSXDDSRNLMNS-CGSMKXTHSA-N 0 0 405.445 4.361 20 30 HIEDRN N#CC1CCC(CNC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000440989447 866067755 /nfs/dbraw/zinc/06/77/55/866067755.db2.gz NZULMEAGPUPRAN-UHFFFAOYSA-N 0 0 407.436 4.038 20 30 HIEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)ccc1OCC(F)(F)F ZINC000440988636 866068870 /nfs/dbraw/zinc/06/88/70/866068870.db2.gz ZNTYNLPXCRRTOT-UHFFFAOYSA-N 0 0 411.767 4.038 20 30 HIEDRN COc1ccc(Cl)cc1C1(CNC(=O)NCC2CCC(C#N)CC2)CCOCC1 ZINC000440994252 866070185 /nfs/dbraw/zinc/07/01/85/866070185.db2.gz XPAJBWZWIGMPFJ-UHFFFAOYSA-N 0 0 419.953 4.026 20 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404.426 4.084 20 30 HIEDRN CC(C)n1ncc2ccc(NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cc21 ZINC000445246067 869303125 /nfs/dbraw/zinc/30/31/25/869303125.db2.gz WLWCNQHCABSUQR-UHFFFAOYSA-N 0 0 422.920 4.496 20 30 HIEDRN N#Cc1cccnc1N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000445250681 869305532 /nfs/dbraw/zinc/30/55/32/869305532.db2.gz GPKGGVJYSAMKJG-UHFFFAOYSA-N 0 0 415.324 4.031 20 30 HIEDRN N#CCCn1cc(C=Cc2nc(-c3cccc(N4CCNC4=O)c3)no2)c2ccccc21 ZINC000445295936 869347656 /nfs/dbraw/zinc/34/76/56/869347656.db2.gz JAHMVIMBERSHJD-MDZDMXLPSA-N 0 0 424.464 4.305 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)c1nc(-c2csc(I)c2)no1 ZINC000445298048 869350123 /nfs/dbraw/zinc/35/01/23/869350123.db2.gz KPPORGDRAVYCHU-VIFPVBQESA-N 0 0 423.235 4.414 20 30 HIEDRN COc1cc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)cc(Br)c1O ZINC000445398747 869484641 /nfs/dbraw/zinc/48/46/41/869484641.db2.gz YGHKQCXTOSXYRZ-UHFFFAOYSA-N 0 0 412.243 4.165 20 30 HIEDRN Cc1cc(C)c(-c2csc(NC(=O)Cc3noc(-c4cc(C#N)c[nH]4)n3)n2)cc1C ZINC000445425062 869508756 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CSc1nn(-c2ccccc2)c(NC(=O)CCCc2nc(C(C)(C)C)no2)c1C#N ZINC000445563164 869620339 /nfs/dbraw/zinc/62/03/39/869620339.db2.gz JRMQSPHFXJHUSB-UHFFFAOYSA-N 0 0 424.530 4.108 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1C#N ZINC000445564775 869623658 /nfs/dbraw/zinc/62/36/58/869623658.db2.gz QFKQBVDEAAZEEG-AWEZNQCLSA-N 0 0 406.515 4.194 20 30 HIEDRN COc1ccc(CCC(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)cc1F ZINC000445568471 869627850 /nfs/dbraw/zinc/62/78/50/869627850.db2.gz LDUGHJGXRIFUBY-UHFFFAOYSA-N 0 0 410.474 4.185 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1C#N ZINC000445569001 869627971 /nfs/dbraw/zinc/62/79/71/869627971.db2.gz PEQPWPLRDBMINA-CABCVRRESA-N 0 0 410.449 4.486 20 30 HIEDRN CC(C)(c1noc(CCC(=O)N(CCC#N)c2ccccc2)n1)c1cccc(F)c1 ZINC000445648336 869719205 /nfs/dbraw/zinc/71/92/05/869719205.db2.gz NLCWTBJFOBHJIU-UHFFFAOYSA-N 0 0 406.461 4.414 20 30 HIEDRN Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(O[C@@H]2CCOC2)c1 ZINC000468387469 882331890 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C[C@H](NC(=O)Cc1noc(-c2cc(C#N)cs2)n1)c1ccc(Cl)cc1Cl ZINC000445739702 869793295 /nfs/dbraw/zinc/79/32/95/869793295.db2.gz FGINOOCRIGSMIH-VIFPVBQESA-N 0 0 407.282 4.396 20 30 HIEDRN CC(=O)Nc1cc(-c2nc(COCC(F)(F)C(F)F)no2)cc(C(F)(F)F)c1 ZINC000445745894 869796838 /nfs/dbraw/zinc/79/68/38/869796838.db2.gz VGAVXRWMQOMJDT-UHFFFAOYSA-N 0 0 415.265 4.131 20 30 HIEDRN N#C[C@H]1CN(C(=O)CCCc2csc3ccccc23)CCN1Cc1ccccc1 ZINC000445805990 869832858 /nfs/dbraw/zinc/83/28/58/869832858.db2.gz QRFCZVDVLOYVCY-NRFANRHFSA-N 0 0 403.551 4.461 20 30 HIEDRN CCc1noc(C)c1-c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000445807400 869833434 /nfs/dbraw/zinc/83/34/34/869833434.db2.gz ISIWJGMWAAPXSO-UHFFFAOYSA-N 0 0 420.429 4.099 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC000445823108 869845264 /nfs/dbraw/zinc/84/52/64/869845264.db2.gz AJJQIPJKDAKAPO-OAQYLSRUSA-N 0 0 420.513 4.420 20 30 HIEDRN N#Cc1ccccc1COc1ccc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cc1 ZINC000445823093 869845429 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HIEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000445924426 869890758 /nfs/dbraw/zinc/89/07/58/869890758.db2.gz MDAWEYOGZCLDMB-HZPDHXFCSA-N 0 0 419.953 4.106 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(N3CCC(C)CC3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000445970480 869939628 /nfs/dbraw/zinc/93/96/28/869939628.db2.gz DRQRURDTKCLPLL-HSZRJFAPSA-N 0 0 403.526 4.489 20 30 HIEDRN COc1nc(C)c(Br)cc1-c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 ZINC000445998280 869960850 /nfs/dbraw/zinc/96/08/50/869960850.db2.gz HZFCLOPRWWZDLL-UHFFFAOYSA-N 0 0 411.259 4.433 20 30 HIEDRN C=CCOc1ccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)cc1OC ZINC000446010456 869977236 /nfs/dbraw/zinc/97/72/36/869977236.db2.gz KLKXXCCCGZXVJQ-UHFFFAOYSA-N 0 0 421.375 4.237 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000446023031 869989878 /nfs/dbraw/zinc/98/98/78/869989878.db2.gz YPDNYUHEDAIDHK-UHFFFAOYSA-N 0 0 402.401 4.066 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000446035411 869998582 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408.351 4.486 20 30 HIEDRN CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000468429217 882372257 /nfs/dbraw/zinc/37/22/57/882372257.db2.gz PJZMHCAURUVPRV-UHFFFAOYSA-N 0 0 420.391 4.038 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCCCC(C)(C)C1 ZINC000446186661 870121951 /nfs/dbraw/zinc/12/19/51/870121951.db2.gz KXSACJPETWQYNF-UHFFFAOYSA-N 0 0 406.486 4.031 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC000446221910 870156857 /nfs/dbraw/zinc/15/68/57/870156857.db2.gz KKWIVUWWHJIJPB-UHFFFAOYSA-N 0 0 420.513 4.392 20 30 HIEDRN CCCn1c(S[C@@H](C)C(=O)NC2(C#N)CCC2)nnc1-c1ccc(Cl)cc1 ZINC000468439066 882380955 /nfs/dbraw/zinc/38/09/55/882380955.db2.gz ZUZVQOOWJRODGG-ZDUSSCGKSA-N 0 0 403.939 4.052 20 30 HIEDRN Cn1cc(NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c(C(F)(F)F)n1 ZINC000446267825 870204962 /nfs/dbraw/zinc/20/49/62/870204962.db2.gz WIOUQHSNEPNMBX-JTQLQIEISA-N 0 0 402.245 4.142 20 30 HIEDRN CC(C)C[C@@H](C)n1nccc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000446268738 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C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)CC[C@@H]1C ZINC000460369858 873003863 /nfs/dbraw/zinc/00/38/63/873003863.db2.gz KJBVVYDDHRBULE-MSOLQXFVSA-N 0 0 420.561 4.437 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000460368694 873004481 /nfs/dbraw/zinc/00/44/81/873004481.db2.gz IPTGMMKCTORTMS-KRWDZBQOSA-N 0 0 422.558 4.041 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000460370652 873006041 /nfs/dbraw/zinc/00/60/41/873006041.db2.gz RLFYPZZISAXEJB-MRXNPFEDSA-N 0 0 413.953 4.474 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000460371732 873006979 /nfs/dbraw/zinc/00/69/79/873006979.db2.gz CLWSTOLSFXHOJT-NRFANRHFSA-N 0 0 403.486 4.171 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(CNC(=O)c3cccs3)n2CC(=C)C)CCCC1(C)C ZINC000460371430 873007462 /nfs/dbraw/zinc/00/74/62/873007462.db2.gz BBROCWNCZKUVSD-SFHVURJKSA-N 0 0 413.591 4.417 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC000460372437 873009229 /nfs/dbraw/zinc/00/92/29/873009229.db2.gz BQEDPQGPGGADFI-VGOFRKELSA-N 0 0 400.498 4.140 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000460373663 873010417 /nfs/dbraw/zinc/01/04/17/873010417.db2.gz ICMDNTNYMRZFJU-NHCUHLMSSA-N 0 0 410.468 4.036 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(C)cc(C)cc2C1 ZINC000460374363 873011690 /nfs/dbraw/zinc/01/16/90/873011690.db2.gz KSTJEMLZQSOQSL-UHFFFAOYSA-N 0 0 421.570 4.025 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC(C#N)(COC)CC1 ZINC000460374263 873011820 /nfs/dbraw/zinc/01/18/20/873011820.db2.gz KOAKCOUOAKKJJL-HXUWFJFHSA-N 0 0 423.561 4.368 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)c1cc(C)cc(C)c1 ZINC000460374775 873011865 /nfs/dbraw/zinc/01/18/65/873011865.db2.gz MQWIDOKCDCGXEO-UHFFFAOYSA-N 0 0 417.561 4.413 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](COC)C1 ZINC000460374393 873011953 /nfs/dbraw/zinc/01/19/53/873011953.db2.gz HUMNHYKUOVQEJW-QZTJIDSGSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC000460375782 873012997 /nfs/dbraw/zinc/01/29/97/873012997.db2.gz QUEHLULZNNUJDP-UHFFFAOYSA-N 0 0 413.875 4.249 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC(CO)CC1 ZINC000460376341 873014640 /nfs/dbraw/zinc/01/46/40/873014640.db2.gz SOAJWKDMMDREBA-SFHVURJKSA-N 0 0 406.530 4.356 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000460376393 873014937 /nfs/dbraw/zinc/01/49/37/873014937.db2.gz OQJHWHBKNXPPQT-DEOSSOPVSA-N 0 0 406.530 4.262 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCc2cc(C)ccc21 ZINC000460376097 873015122 /nfs/dbraw/zinc/01/51/22/873015122.db2.gz RINOFVUCLQZXEK-UHFFFAOYSA-N 0 0 415.545 4.031 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1nncn1C ZINC000460377322 873016330 /nfs/dbraw/zinc/01/63/30/873016330.db2.gz XYQQFNKOOFLYIV-INIZCTEOSA-N 0 0 418.332 4.298 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000460383125 873025844 /nfs/dbraw/zinc/02/58/44/873025844.db2.gz DCAMPSVLRLQGIH-RBBKRZOGSA-N 0 0 402.498 4.226 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCSC[C@@H]1C ZINC000460383872 873027112 /nfs/dbraw/zinc/02/71/12/873027112.db2.gz IJDBSNLSRFMPTC-DLBZAZTESA-N 0 0 402.564 4.335 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC000460384676 873028467 /nfs/dbraw/zinc/02/84/67/873028467.db2.gz FCAYBQLLLHNGKX-UHFFFAOYSA-N 0 0 414.513 4.035 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000460387752 873032681 /nfs/dbraw/zinc/03/26/81/873032681.db2.gz QCQZXYWFRDCFDZ-UHFFFAOYSA-N 0 0 424.501 4.324 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000460388206 873033527 /nfs/dbraw/zinc/03/35/27/873033527.db2.gz QWPUCIBSKMJBOX-QZTJIDSGSA-N 0 0 414.550 4.397 20 30 HIEDRN C=C(C)Cn1c(CCC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000460387682 873033662 /nfs/dbraw/zinc/03/36/62/873033662.db2.gz PZEPLZXHNNIIHJ-UHFFFAOYSA-N 0 0 409.578 4.184 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC000460388371 873034211 /nfs/dbraw/zinc/03/42/11/873034211.db2.gz QBRXSZITEAITAQ-UHFFFAOYSA-N 0 0 421.570 4.244 20 30 HIEDRN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000460391192 873037583 /nfs/dbraw/zinc/03/75/83/873037583.db2.gz XUFNNOQPWFPUTC-UNMCSNQZSA-N 0 0 420.513 4.309 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)c1cnn(C)c1 ZINC000460390884 873038070 /nfs/dbraw/zinc/03/80/70/873038070.db2.gz XIWYZFOGUDEYOR-CQSZACIVSA-N 0 0 415.339 4.215 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000460392171 873039641 /nfs/dbraw/zinc/03/96/41/873039641.db2.gz XQWRKQQKLDAYLW-AVRDEDQJSA-N 0 0 417.488 4.454 20 30 HIEDRN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2ccccc2)c1 ZINC000460405523 873057503 /nfs/dbraw/zinc/05/75/03/873057503.db2.gz ADHJDZRIUGZRBN-HXUWFJFHSA-N 0 0 403.530 4.455 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ccccc1 ZINC000460421480 873081894 /nfs/dbraw/zinc/08/18/94/873081894.db2.gz RBANNMQTWJJOPZ-GOSISDBHSA-N 0 0 411.513 4.316 20 30 HIEDRN CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCc1ccccc1 ZINC000460426401 873088529 /nfs/dbraw/zinc/08/85/29/873088529.db2.gz NYQIZXCUPFPVIK-UHFFFAOYSA-N 0 0 414.557 4.233 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)CN3CCOc4ccc(Cl)cc43)s2)cc1 ZINC000468595249 882686221 /nfs/dbraw/zinc/68/62/21/882686221.db2.gz DKBVPUIDPMTOIY-UHFFFAOYSA-N 0 0 424.913 4.096 20 30 HIEDRN CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCc1ccccc1 ZINC000460436616 873102547 /nfs/dbraw/zinc/10/25/47/873102547.db2.gz KWQJKMRVUMHTMY-UHFFFAOYSA-N 0 0 401.514 4.098 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCc1ccccc1 ZINC000460436621 873102731 /nfs/dbraw/zinc/10/27/31/873102731.db2.gz KXRYMYPFOMTZBX-UHFFFAOYSA-N 0 0 414.513 4.239 20 30 HIEDRN N#CCc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1 ZINC000460442820 873111719 /nfs/dbraw/zinc/11/17/19/873111719.db2.gz KLNMBLSCKXJIBD-UHFFFAOYSA-N 0 0 402.422 4.351 20 30 HIEDRN Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCc2ccccc2)cc1C ZINC000460445062 873113987 /nfs/dbraw/zinc/11/39/87/873113987.db2.gz CSGVCTMBDDHHBU-HXUWFJFHSA-N 0 0 403.530 4.455 20 30 HIEDRN COC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)CC1 ZINC000460451036 873125860 /nfs/dbraw/zinc/12/58/60/873125860.db2.gz PKMZFTZWKLXZHA-UHFFFAOYSA-N 0 0 415.541 4.453 20 30 HIEDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000460452209 873127357 /nfs/dbraw/zinc/12/73/57/873127357.db2.gz WPSMMQAVBQNHIO-JOCHJYFZSA-N 0 0 417.557 4.329 20 30 HIEDRN Cc1cccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)n1 ZINC000460453875 873130960 /nfs/dbraw/zinc/13/09/60/873130960.db2.gz VDLOEIOXBOFQHP-UHFFFAOYSA-N 0 0 408.509 4.399 20 30 HIEDRN Cn1c2ccccc2nc1[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000460471654 873157369 /nfs/dbraw/zinc/15/73/69/873157369.db2.gz PQXMZFDEFMXTCY-OAQYLSRUSA-N 0 0 422.554 4.056 20 30 HIEDRN COc1cccc(O[C@@H](C)CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC000460509920 873196898 /nfs/dbraw/zinc/19/68/98/873196898.db2.gz IOXCZYHEZWXUMH-SFHVURJKSA-N 0 0 416.477 4.343 20 30 HIEDRN COc1cccc(O[C@H](C)CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c1 ZINC000460509917 873197059 /nfs/dbraw/zinc/19/70/59/873197059.db2.gz IOXCZYHEZWXUMH-GOSISDBHSA-N 0 0 416.477 4.343 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@H](CC)Cc3ccc(C)cc3)cc2C1=O ZINC000460523731 873214313 /nfs/dbraw/zinc/21/43/13/873214313.db2.gz KTFODPHBWGPZSW-HXUWFJFHSA-N 0 0 404.510 4.260 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000460538013 873237650 /nfs/dbraw/zinc/23/76/50/873237650.db2.gz GOAHENSZRSHVTD-UKRRQHHQSA-N 0 0 410.440 4.316 20 30 HIEDRN Cc1ccc(CC[C@H](C)NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000460538923 873239127 /nfs/dbraw/zinc/23/91/27/873239127.db2.gz VDCCXBGFKWNQDR-HNNXBMFYSA-N 0 0 422.485 4.062 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OCCC)CC1 ZINC000460542850 873243660 /nfs/dbraw/zinc/24/36/60/873243660.db2.gz LFLNMJWHMSJPEZ-GHTZIAJQSA-N 0 0 412.534 4.152 20 30 HIEDRN C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N(C)C1CCC(OC)CC1 ZINC000460542906 873243940 /nfs/dbraw/zinc/24/39/40/873243940.db2.gz GTRXGGMTKDFOIV-UHFFFAOYSA-N 0 0 409.578 4.201 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCCC[C@H]1CC ZINC000460543459 873245376 /nfs/dbraw/zinc/24/53/76/873245376.db2.gz MRFPDJUZDOIDSI-QGZVFWFLSA-N 0 0 406.534 4.020 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OCCC)CC1 ZINC000460544006 873247974 /nfs/dbraw/zinc/24/79/74/873247974.db2.gz DAJNYHQRRWXUQT-GOSISDBHSA-N 0 0 414.550 4.324 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC000460544760 873248313 /nfs/dbraw/zinc/24/83/13/873248313.db2.gz PJCRRLTUJLTVQG-UHFFFAOYSA-N 0 0 409.921 4.207 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H](C)C1(C)CC1 ZINC000460545908 873250434 /nfs/dbraw/zinc/25/04/34/873250434.db2.gz BINIGODOXQCLLI-HNNXBMFYSA-N 0 0 400.523 4.172 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000460546766 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LYYBHALGTKQUHW-NRFANRHFSA-N 0 0 407.493 4.241 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000460939924 873840938 /nfs/dbraw/zinc/84/09/38/873840938.db2.gz UHNLLDLHAPSCBU-UYAOXDASSA-N 0 0 416.529 4.274 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(CCOC)Cc1cncs1 ZINC000460941567 873842103 /nfs/dbraw/zinc/84/21/03/873842103.db2.gz SNJHRUSOHLJFTH-UHFFFAOYSA-N 0 0 401.511 4.078 20 30 HIEDRN C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000460944322 873843929 /nfs/dbraw/zinc/84/39/29/873843929.db2.gz DKUJRHKRUHMJAA-QAPCUYQASA-N 0 0 408.468 4.425 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000460946143 873844686 /nfs/dbraw/zinc/84/46/86/873844686.db2.gz MWOJKCXJBHRQJG-QFIPXVFZSA-N 0 0 413.447 4.193 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000460946412 873844922 /nfs/dbraw/zinc/84/49/22/873844922.db2.gz YLJXSKLNZPJWLE-GOSISDBHSA-N 0 0 417.517 4.011 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000460950795 873849685 /nfs/dbraw/zinc/84/96/85/873849685.db2.gz SQANVZCKROSERH-NYVOZVTQSA-N 0 0 408.546 4.105 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000460950794 873849993 /nfs/dbraw/zinc/84/99/93/873849993.db2.gz SQANVZCKROSERH-COPCDDAFSA-N 0 0 408.546 4.105 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OCCC)CC1 ZINC000460953803 873851458 /nfs/dbraw/zinc/85/14/58/873851458.db2.gz VNCCQZSQKXNNDS-GOSISDBHSA-N 0 0 402.514 4.358 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CCCCCO ZINC000460953329 873851683 /nfs/dbraw/zinc/85/16/83/873851683.db2.gz DUICUWIRBDCTLE-UHFFFAOYSA-N 0 0 411.319 4.022 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000460956924 873854274 /nfs/dbraw/zinc/85/42/74/873854274.db2.gz DGEXBMNICRHGMH-FUHWJXTLSA-N 0 0 414.575 4.038 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000460956895 873854336 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C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC000460963080 873860510 /nfs/dbraw/zinc/86/05/10/873860510.db2.gz NSNJQOULTIQVFB-GUYCJALGSA-N 0 0 403.324 4.281 20 30 HIEDRN C[C@]1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)OCCc2sccc21 ZINC000460965650 873862730 /nfs/dbraw/zinc/86/27/30/873862730.db2.gz TUESQGDBCYYHTJ-XMMPIXPASA-N 0 0 418.518 4.417 20 30 HIEDRN C=CCN(CC1CCCCC1)c1nnc(C(=O)N2CCCC2)n1Cc1cccs1 ZINC000461013619 873885089 /nfs/dbraw/zinc/88/50/89/873885089.db2.gz HDIWJTWKPKAHLF-UHFFFAOYSA-N 0 0 413.591 4.197 20 30 HIEDRN CO[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccc(Cl)cc1 ZINC000461032628 873895378 /nfs/dbraw/zinc/89/53/78/873895378.db2.gz GCEHHBYQHUIDCE-GOSISDBHSA-N 0 0 401.919 4.323 20 30 HIEDRN N#C[C@H]1N(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCC[C@]12CCCCO2 ZINC000468637104 882771030 /nfs/dbraw/zinc/77/10/30/882771030.db2.gz GRESPTARZRIBHL-YLJYHZDGSA-N 0 0 403.454 4.156 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CCC[C@@]12CCCCO2 ZINC000468636481 882771061 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HIEDRN CCS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 ZINC000461067233 873951224 /nfs/dbraw/zinc/95/12/24/873951224.db2.gz OKLIHHUNRQMYMS-PMACEKPBSA-N 0 0 411.575 4.108 20 30 HIEDRN N#C[C@H]1N(C(=O)CSCc2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000468643665 882777211 /nfs/dbraw/zinc/77/72/11/882777211.db2.gz RMORZVRQFZYFON-MJGOQNOKSA-N 0 0 423.376 4.136 20 30 HIEDRN Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCO2)c1C ZINC000461086373 873998913 /nfs/dbraw/zinc/99/89/13/873998913.db2.gz HDDBJBIUUSETAW-FPOVZHCZSA-N 0 0 423.561 4.344 20 30 HIEDRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000461096440 874013510 /nfs/dbraw/zinc/01/35/10/874013510.db2.gz UKCMALMAIXOFKC-FOIQADDNSA-N 0 0 401.304 4.248 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461128128 874060025 /nfs/dbraw/zinc/06/00/25/874060025.db2.gz OYCZPZWWIQEZBX-ZTFGCOKTSA-N 0 0 419.451 4.163 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 ZINC000461129330 874062690 /nfs/dbraw/zinc/06/26/90/874062690.db2.gz QSRRDIGQAUVIPA-FQEVSTJZSA-N 0 0 420.561 4.295 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000461129364 874063144 /nfs/dbraw/zinc/06/31/44/874063144.db2.gz UGOZUMVGEKXYCM-DHIUTWEWSA-N 0 0 413.525 4.207 20 30 HIEDRN CC(C)(C)C1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC000461131769 874067004 /nfs/dbraw/zinc/06/70/04/874067004.db2.gz UKRLRBNFIGZUSH-OAQYLSRUSA-N 0 0 421.545 4.090 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1 ZINC000461136476 874075837 /nfs/dbraw/zinc/07/58/37/874075837.db2.gz WMGSXYBLCIUXLC-QFIPXVFZSA-N 0 0 406.530 4.418 20 30 HIEDRN C[C@H](CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)c1ccc(Br)cc1 ZINC000468655915 882792142 /nfs/dbraw/zinc/79/21/42/882792142.db2.gz PXBQADDLCUJIRD-MOXGXCLJSA-N 0 0 405.336 4.397 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1C[C@@H]1CCCO1 ZINC000461144795 874087736 /nfs/dbraw/zinc/08/77/36/874087736.db2.gz NNOPGOWGZHCEAL-SPEDKVCISA-N 0 0 419.529 4.489 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1C[C@H]1CCCO1 ZINC000461144794 874088216 /nfs/dbraw/zinc/08/82/16/874088216.db2.gz NNOPGOWGZHCEAL-NPPFBWRTSA-N 0 0 419.529 4.489 20 30 HIEDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468658136 882794134 /nfs/dbraw/zinc/79/41/34/882794134.db2.gz FYITXOBMHGVDDK-DENIHFKCSA-N 0 0 417.937 4.392 20 30 HIEDRN CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468658213 882794206 /nfs/dbraw/zinc/79/42/06/882794206.db2.gz JTNHSMPMGNWGQA-AZUAARDMSA-N 0 0 421.335 4.304 20 30 HIEDRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)c2)c1C ZINC000468658082 882794822 /nfs/dbraw/zinc/79/48/22/882794822.db2.gz FNWMYTPQEYWOML-LADGPHEKSA-N 0 0 406.530 4.119 20 30 HIEDRN CCCOc1ccc(CC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1OCCC ZINC000468660775 882796912 /nfs/dbraw/zinc/79/69/12/882796912.db2.gz NAHAHCHBDQQPDQ-VWNXMTODSA-N 0 0 414.546 4.261 20 30 HIEDRN C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCCO1)C1CC1 ZINC000461167883 874134940 /nfs/dbraw/zinc/13/49/40/874134940.db2.gz VSJVIIXFUVEVCI-HNNXBMFYSA-N 0 0 421.314 4.181 20 30 HIEDRN CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468662329 882798087 /nfs/dbraw/zinc/79/80/87/882798087.db2.gz NULQHBLUSGCDJU-YKSBVNFPSA-N 0 0 411.546 4.058 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCCO1 ZINC000461180508 874163441 /nfs/dbraw/zinc/16/34/41/874163441.db2.gz POOHAKPAERMBMC-HKUYNNGSSA-N 0 0 421.501 4.034 20 30 HIEDRN C[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)c1cccc(C(=O)c2ccccc2)c1 ZINC000468663508 882800421 /nfs/dbraw/zinc/80/04/21/882800421.db2.gz RYXDYYOANWTVRL-FPDDQMOCSA-N 0 0 416.521 4.475 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000461189387 874182037 /nfs/dbraw/zinc/18/20/37/874182037.db2.gz DDQKPQYZZBUBJC-OALUTQOASA-N 0 0 403.507 4.413 20 30 HIEDRN N#C[C@H]1N(C(=O)c2ccc(Br)c(Cl)c2F)CCC[C@@]12CCCCO2 ZINC000468669739 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HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 ZINC000461289530 874294485 /nfs/dbraw/zinc/29/44/85/874294485.db2.gz NZQANHZQQZQAJS-UHFFFAOYSA-N 0 0 405.364 4.146 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCOc1ccc2c(c1)CCCC2 ZINC000461304337 874310037 /nfs/dbraw/zinc/31/00/37/874310037.db2.gz GOIDIDRGOMPJTL-UHFFFAOYSA-N 0 0 415.497 4.124 20 30 HIEDRN CC(C)COc1ccc(C(C)(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000461313628 874320901 /nfs/dbraw/zinc/32/09/01/874320901.db2.gz WUOHSOWSIBQZGN-UHFFFAOYSA-N 0 0 403.486 4.090 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2Cc2cccs2)cc1 ZINC000461314212 874322207 /nfs/dbraw/zinc/32/22/07/874322207.db2.gz AAKVFRKYOGHLOA-VQTJNVASSA-N 0 0 405.527 4.074 20 30 HIEDRN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461316761 874325494 /nfs/dbraw/zinc/32/54/94/874325494.db2.gz HENIKMGAMJQWKF-UHFFFAOYSA-N 0 0 404.817 4.008 20 30 HIEDRN CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccs2)cc1OC ZINC000461323092 874331803 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882852375 /nfs/dbraw/zinc/85/23/75/882852375.db2.gz ATVGGCANGGMIKN-PXNSSMCTSA-N 0 0 411.820 4.266 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCc4c3cccc4Br)on2)c1 ZINC000468782990 882857954 /nfs/dbraw/zinc/85/79/54/882857954.db2.gz BHHJHHULUBZVIO-KRWDZBQOSA-N 0 0 408.255 4.393 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCOC1 ZINC000461591348 874710014 /nfs/dbraw/zinc/71/00/14/874710014.db2.gz YZLLVKIDAUTEOO-IBGZPJMESA-N 0 0 408.571 4.468 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3C3CCCCC3)n2C[C@H]2CCOC2)c1 ZINC000461593184 874713456 /nfs/dbraw/zinc/71/34/56/874713456.db2.gz DYJLGVXANYNKRO-KNQAVFIVSA-N 0 0 405.546 4.402 20 30 HIEDRN Cc1ccc(C[C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 ZINC000461592953 874714472 /nfs/dbraw/zinc/71/44/72/874714472.db2.gz BUCUFPZXQKFBIY-KNQAVFIVSA-N 0 0 415.541 4.229 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461596044 874719325 /nfs/dbraw/zinc/71/93/25/874719325.db2.gz IXJQKCILDOQXLQ-QGPMSJSTSA-N 0 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ZINC000461634958 874792339 /nfs/dbraw/zinc/79/23/39/874792339.db2.gz KAXGMCJRRKTOIO-LJQANCHMSA-N 0 0 413.930 4.056 20 30 HIEDRN Cc1ccccc1NC(=O)C[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468795737 882863874 /nfs/dbraw/zinc/86/38/74/882863874.db2.gz BKDXFCIRVGGCMT-SFHVURJKSA-N 0 0 404.514 4.407 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(COCC)n1C[C@@H]1CCCCO1 ZINC000461652148 874807276 /nfs/dbraw/zinc/80/72/76/874807276.db2.gz JMJVPORBUHAWEI-HNNXBMFYSA-N 0 0 410.971 4.291 20 30 HIEDRN CC(C)(c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC000461654170 874808976 /nfs/dbraw/zinc/80/89/76/874808976.db2.gz INTKTNPFWOCTLK-NRFANRHFSA-N 0 0 407.562 4.303 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCCCO2)cc1 ZINC000461662300 874815659 /nfs/dbraw/zinc/81/56/59/874815659.db2.gz IYYTUWAYQYTXLZ-GOSISDBHSA-N 0 0 417.435 4.085 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1I ZINC000461677830 874828138 /nfs/dbraw/zinc/82/81/38/874828138.db2.gz DTQDNTBFNQPIKM-UHFFFAOYSA-N 0 0 423.229 4.376 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccoc2)n1C[C@H]1CCOC1 ZINC000461703063 874853569 /nfs/dbraw/zinc/85/35/69/874853569.db2.gz OVFONXYRCHNGFA-CQSZACIVSA-N 0 0 404.923 4.482 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCO1 ZINC000461715826 874864672 /nfs/dbraw/zinc/86/46/72/874864672.db2.gz BUEOOHXAIYRNTG-OAQYLSRUSA-N 0 0 403.530 4.410 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461727947 874874679 /nfs/dbraw/zinc/87/46/79/874874679.db2.gz JYWUSDXETMKTNR-OAQYLSRUSA-N 0 0 406.534 4.152 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2)cc1 ZINC000461740495 874885338 /nfs/dbraw/zinc/88/53/38/874885338.db2.gz AELYDCFQGVLCRQ-UHFFFAOYSA-N 0 0 409.445 4.320 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)C2)cc1 ZINC000461742171 874886560 /nfs/dbraw/zinc/88/65/60/874886560.db2.gz VUJSLJXORJLETE-UHFFFAOYSA-N 0 0 412.449 4.106 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000461752692 874891979 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402.498 4.482 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000462537037 875658600 /nfs/dbraw/zinc/65/86/00/875658600.db2.gz KFNGPRZGWLBWOK-JOCHJYFZSA-N 0 0 421.497 4.387 20 30 HIEDRN CCCC(=O)Nc1ccc(OCc2nnc(-c3cccc(C#N)c3)o2)c(C(C)=O)c1 ZINC000462549008 875673844 /nfs/dbraw/zinc/67/38/44/875673844.db2.gz DJEJMCCSQMZXHW-UHFFFAOYSA-N 0 0 404.426 4.128 20 30 HIEDRN N#Cc1ccc(-c2nnc(COc3cccc(C(=O)NCc4ccccc4)c3)o2)cc1 ZINC000462558596 875684782 /nfs/dbraw/zinc/68/47/82/875684782.db2.gz NXQGPYJBEIXLGI-UHFFFAOYSA-N 0 0 410.433 4.117 20 30 HIEDRN C[C@H](C(=O)N1CCC(Oc2cccc(Br)c2)CC1)c1cccc(C#N)c1 ZINC000462592859 875710037 /nfs/dbraw/zinc/71/00/37/875710037.db2.gz OHMFHBCJKLXZDT-HNNXBMFYSA-N 0 0 413.315 4.494 20 30 HIEDRN CCCCNC(=O)c1ccc(Cl)cc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000462674460 875770710 /nfs/dbraw/zinc/77/07/10/875770710.db2.gz HLJRVXKKZUATSV-UHFFFAOYSA-N 0 0 410.861 4.371 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000462683613 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Cc1ccc(-n2nc(CCCNC(=O)[C@H](c3ccccc3)C(C)C)c(C#N)c2N)cc1 ZINC000463387891 876443884 /nfs/dbraw/zinc/44/38/84/876443884.db2.gz FTMBTTCWRGFSGX-QHCPKHFHSA-N 0 0 415.541 4.123 20 30 HIEDRN N#Cc1cc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)ccc1OCC(F)(F)F ZINC000463399557 876453420 /nfs/dbraw/zinc/45/34/20/876453420.db2.gz YZHPEPQVNFDMQN-UHFFFAOYSA-N 0 0 417.387 4.029 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415037 876470202 /nfs/dbraw/zinc/47/02/02/876470202.db2.gz HNIHEEYFTMOQLW-HNNXBMFYSA-N 0 0 421.566 4.469 20 30 HIEDRN CC(C)n1cc(Br)cc1C(=O)NCCSCc1ccccc1C#N ZINC000463440236 876497360 /nfs/dbraw/zinc/49/73/60/876497360.db2.gz DULIDNHUTNUAMC-UHFFFAOYSA-N 0 0 406.349 4.366 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000463506644 876568337 /nfs/dbraw/zinc/56/83/37/876568337.db2.gz UOOYQPWYECCFCU-UHFFFAOYSA-N 0 0 409.482 4.004 20 30 HIEDRN C=CCN(C(=O)N[C@@H]1CCCCC12CCCC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000463545882 876629303 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C=CCN(C(=O)c1ccn(-c2ccc(F)cc2F)n1)c1nc2c(s1)CCCC2 ZINC000463635245 876752748 /nfs/dbraw/zinc/75/27/48/876752748.db2.gz HIDYCPVGNJSQTM-UHFFFAOYSA-N 0 0 400.454 4.319 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000463670642 876793274 /nfs/dbraw/zinc/79/32/74/876793274.db2.gz AYCPOQJBDSHSMH-INIZCTEOSA-N 0 0 411.310 4.399 20 30 HIEDRN CCOc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2OC)c2ccccc2)cc1 ZINC000463679924 876802470 /nfs/dbraw/zinc/80/24/70/876802470.db2.gz NPELQVXQEVYTPM-HSZRJFAPSA-N 0 0 422.506 4.033 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000468999171 883065815 /nfs/dbraw/zinc/06/58/15/883065815.db2.gz NVEUJQKYVMVPEN-KRWDZBQOSA-N 0 0 404.539 4.299 20 30 HIEDRN C=CCN(C(=O)c1cccc(-c2cscn2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000463744128 876866378 /nfs/dbraw/zinc/86/63/78/876866378.db2.gz GOVRRCZYFVKLQH-MRXNPFEDSA-N 0 0 416.510 4.175 20 30 HIEDRN C=CCOCCCC(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000463767191 876889102 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HIEDRN Cc1cc(NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)nn1CCC#N ZINC000470431612 884831059 /nfs/dbraw/zinc/83/10/59/884831059.db2.gz YKXQTDJBCYDLIV-ZDUSSCGKSA-N 0 0 410.305 4.343 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000470453476 884848727 /nfs/dbraw/zinc/84/87/27/884848727.db2.gz WPEHKNVDASJFBC-INIZCTEOSA-N 0 0 416.344 4.073 20 30 HIEDRN N#CC1(c2ccc(C(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)cc2)CC1 ZINC000470453853 884848776 /nfs/dbraw/zinc/84/87/76/884848776.db2.gz XLLXHEBDBDMFMJ-GOSISDBHSA-N 0 0 410.315 4.013 20 30 HIEDRN C=CCn1c(SCCCC(=O)N2CCCCC2)nc2sc(C)c(C)c2c1=O ZINC000470456162 884851303 /nfs/dbraw/zinc/85/13/03/884851303.db2.gz SJGXSHNWBHIKMQ-UHFFFAOYSA-N 0 0 405.589 4.146 20 30 HIEDRN CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000470488998 884876216 /nfs/dbraw/zinc/87/62/16/884876216.db2.gz AXHRXKFNVTULQV-OAQYLSRUSA-N 0 0 406.486 4.137 20 30 HIEDRN CC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCOCC1 ZINC000470488997 884876705 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CCOc1ccc(N(CCC#N)C(=O)CNc2cc(F)ccc2OC(F)F)cc1 ZINC000470521071 884912382 /nfs/dbraw/zinc/91/23/82/884912382.db2.gz CKAZJLUJTYEFBI-UHFFFAOYSA-N 0 0 407.392 4.185 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccco3)cc2F)cc1 ZINC000470523171 884915721 /nfs/dbraw/zinc/91/57/21/884915721.db2.gz SBIXDHJOENMBQJ-UHFFFAOYSA-N 0 0 412.442 4.415 20 30 HIEDRN COc1ccc(Br)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470527575 884921950 /nfs/dbraw/zinc/92/19/50/884921950.db2.gz HYHBPWPJSPDALC-UHFFFAOYSA-N 0 0 422.710 4.470 20 30 HIEDRN COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470528432 884923865 /nfs/dbraw/zinc/92/38/65/884923865.db2.gz AJSCLNDGJMSSMD-HNNXBMFYSA-N 0 0 424.476 4.300 20 30 HIEDRN C[S@@](=O)Cc1ccc(Cl)c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000470528372 884923896 /nfs/dbraw/zinc/92/38/96/884923896.db2.gz VECADKWSVHCTLR-HHHXNRCGSA-N 0 0 424.353 4.231 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2ccc(-c3cncnc3)cc2)ccc1Cl ZINC000470528146 884924359 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N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H](Cc3ccccc3)C3CC3)ccc21 ZINC000470550193 884961615 /nfs/dbraw/zinc/96/16/15/884961615.db2.gz VNUBMZJHAYBVCW-QFIPXVFZSA-N 0 0 416.525 4.412 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2ccccc2C(=O)NC(C)C)ccc1Cl ZINC000470554799 884968036 /nfs/dbraw/zinc/96/80/36/884968036.db2.gz CXXIHIKGKPZUHO-UHFFFAOYSA-N 0 0 412.921 4.145 20 30 HIEDRN N#CCCN(C(=O)CNc1ccccc1NC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000470556609 884971368 /nfs/dbraw/zinc/97/13/68/884971368.db2.gz POEHADUUULTUCW-LJQANCHMSA-N 0 0 402.498 4.340 20 30 HIEDRN CCN(CC)C(=O)c1ccccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470558098 884972950 /nfs/dbraw/zinc/97/29/50/884972950.db2.gz BRSJFUZFEVJGTJ-UHFFFAOYSA-N 0 0 412.921 4.181 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NC3(c4nccs4)CCCC3)ccc21 ZINC000470559115 884974661 /nfs/dbraw/zinc/97/46/61/884974661.db2.gz NWZXGSQOAZVKDO-UHFFFAOYSA-N 0 0 423.542 4.317 20 30 HIEDRN CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470565777 884982796 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HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000470746490 885211558 /nfs/dbraw/zinc/21/15/58/885211558.db2.gz UICDNRJEKOOZCP-KRWDZBQOSA-N 0 0 400.463 4.193 20 30 HIEDRN CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000470749882 885215191 /nfs/dbraw/zinc/21/51/91/885215191.db2.gz SQGDMCHZVUWTLF-QFIPXVFZSA-N 0 0 421.541 4.226 20 30 HIEDRN COc1ccc(C)cc1-c1csc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000470757430 885222937 /nfs/dbraw/zinc/22/29/37/885222937.db2.gz SWYHCRAPBTVKFM-QGZVFWFLSA-N 0 0 402.479 4.320 20 30 HIEDRN CC[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OC)cc1 ZINC000470777296 885246402 /nfs/dbraw/zinc/24/64/02/885246402.db2.gz TYRHBCRIYPHFCR-OAQYLSRUSA-N 0 0 405.498 4.410 20 30 HIEDRN CCOC(=O)[C@@H](CC)N(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 ZINC000470784092 885259638 /nfs/dbraw/zinc/25/96/38/885259638.db2.gz CUSKMERUZUNEQV-OAQYLSRUSA-N 0 0 406.482 4.084 20 30 HIEDRN CCOC(=O)c1cc2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)ccc2s1 ZINC000470794176 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Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)nn1CCC#N ZINC000504235967 913106941 /nfs/dbraw/zinc/10/69/41/913106941.db2.gz NASISJCKIHFHAA-UHFFFAOYSA-N 0 0 407.455 4.417 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCc2ccccc2OC(F)F)o1 ZINC000472259057 887070042 /nfs/dbraw/zinc/07/00/42/887070042.db2.gz OALQCPFKZIDJOB-UHFFFAOYSA-N 0 0 412.392 4.304 20 30 HIEDRN CCc1ccc(-c2nc(CC(=O)N[C@]3(C#N)CCc4ccccc4C3)cs2)cc1 ZINC000472259306 887072630 /nfs/dbraw/zinc/07/26/30/887072630.db2.gz OIWPJHUUDBIKHJ-XMMPIXPASA-N 0 0 401.535 4.482 20 30 HIEDRN Cc1ccc(O[C@@H](C)C(=O)N[C@]2(C#N)CCc3ccccc3C2)c(Br)c1 ZINC000472272899 887089067 /nfs/dbraw/zinc/08/90/67/887089067.db2.gz FJSIQAOMAFRVHY-YCRPNKLZSA-N 0 0 413.315 4.092 20 30 HIEDRN CCCOc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000472275349 887092190 /nfs/dbraw/zinc/09/21/90/887092190.db2.gz IRFXWEXTCOMNNF-UHFFFAOYSA-N 0 0 403.429 4.290 20 30 HIEDRN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc2ccccc2o1 ZINC000472277060 887093229 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HIEDRN Cc1noc(C)c1CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000472573296 887458431 /nfs/dbraw/zinc/45/84/31/887458431.db2.gz FVWPLJCWYRBIRC-UHFFFAOYSA-N 0 0 414.553 4.309 20 30 HIEDRN CN(C(=O)CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)C1(C#N)CCCCC1 ZINC000472601312 887473227 /nfs/dbraw/zinc/47/32/27/887473227.db2.gz XYIVCHPBRFKPGL-OAQYLSRUSA-N 0 0 405.546 4.289 20 30 HIEDRN C[C@H](NC(=O)C1(C#N)CCCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000472672612 887527784 /nfs/dbraw/zinc/52/77/84/887527784.db2.gz SMUPSQCUBCXYIE-LBPRGKRZSA-N 0 0 403.280 4.150 20 30 HIEDRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000472682073 887535826 /nfs/dbraw/zinc/53/58/26/887535826.db2.gz HFDKDBSNBVGMLP-UHFFFAOYSA-N 0 0 413.543 4.207 20 30 HIEDRN Cc1cc(C(=O)Nc2ccc(Cl)cc2-n2cccn2)nn1-c1cccc(C#N)c1 ZINC000472685567 887540087 /nfs/dbraw/zinc/54/00/87/887540087.db2.gz UAENQYLNBZJQBH-UHFFFAOYSA-N 0 0 402.845 4.144 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000472695357 887548451 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C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000472827467 887674365 /nfs/dbraw/zinc/67/43/65/887674365.db2.gz GOMJMIFEXBDODY-HXUWFJFHSA-N 0 0 416.525 4.344 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000472830364 887678341 /nfs/dbraw/zinc/67/83/41/887678341.db2.gz NFEMKDKUMDKAIW-UHFFFAOYSA-N 0 0 401.466 4.417 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000472831074 887679892 /nfs/dbraw/zinc/67/98/92/887679892.db2.gz XTCAGTWHWHINRT-UHFFFAOYSA-N 0 0 422.916 4.378 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000472856071 887712381 /nfs/dbraw/zinc/71/23/81/887712381.db2.gz XBWHRVOFATYVQX-UHFFFAOYSA-N 0 0 404.461 4.020 20 30 HIEDRN CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000472856642 887712532 /nfs/dbraw/zinc/71/25/32/887712532.db2.gz XBXGWSPNWKUSOG-UHFFFAOYSA-N 0 0 403.526 4.197 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000472857633 887714023 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C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000472942691 887792522 /nfs/dbraw/zinc/79/25/22/887792522.db2.gz STZKIXFTLDEPTR-FZKQIMNGSA-N 0 0 417.387 4.088 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C(F)(F)F ZINC000473061218 887883319 /nfs/dbraw/zinc/88/33/19/887883319.db2.gz ZAXADJVWQGXSEL-XJKSGUPXSA-N 0 0 419.378 4.107 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000473156856 887936070 /nfs/dbraw/zinc/93/60/70/887936070.db2.gz AIOMULXXLDHHTH-SBUREZEXSA-N 0 0 407.539 4.008 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000473160370 887940385 /nfs/dbraw/zinc/94/03/85/887940385.db2.gz GCVOOVNGOGXQTM-UZUQRXQVSA-N 0 0 407.539 4.151 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@]2(C1)OCc1ccccc12 ZINC000473173387 887950626 /nfs/dbraw/zinc/95/06/26/887950626.db2.gz WEDBQOQVYPOMEK-VOIUYBSRSA-N 0 0 421.566 4.347 20 30 HIEDRN Cc1cc(NC(=O)COc2ccc3cc(Br)ccc3c2)nn1CCC#N ZINC000504366437 913197695 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888106494 /nfs/dbraw/zinc/10/64/94/888106494.db2.gz WGPVPTDJKNMLSK-OAHLLOKOSA-N 0 0 413.905 4.075 20 30 HIEDRN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000473424498 888143027 /nfs/dbraw/zinc/14/30/27/888143027.db2.gz ZZMVXFPVZUYPBK-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3cc(Br)ccc3F)CC2)cc1 ZINC000473443719 888165250 /nfs/dbraw/zinc/16/52/50/888165250.db2.gz MZCSAJSGCDSGTI-UHFFFAOYSA-N 0 0 417.278 4.072 20 30 HIEDRN C[C@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cn(-c2ccccc2)nn1 ZINC000473456355 888180129 /nfs/dbraw/zinc/18/01/29/888180129.db2.gz ZXEOMFSQBCTLKU-KRWDZBQOSA-N 0 0 408.465 4.374 20 30 HIEDRN C[C@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc(C#N)cc1 ZINC000473481310 888203849 /nfs/dbraw/zinc/20/38/49/888203849.db2.gz QBNYOIJFWJASAT-SJCJKPOMSA-N 0 0 417.296 4.031 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCCC4(CC4)C3)cc2Cl)c1 ZINC000473486303 888208060 /nfs/dbraw/zinc/20/80/60/888208060.db2.gz DGKHCNXIGMTVNA-UHFFFAOYSA-N 0 0 423.900 4.132 20 30 HIEDRN Cc1ccc2cccc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)c2n1 ZINC000473558887 888298383 /nfs/dbraw/zinc/29/83/83/888298383.db2.gz BPHIURFGRIZSEB-NRFANRHFSA-N 0 0 404.901 4.219 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2OC(F)F)CC1 ZINC000473560422 888299331 /nfs/dbraw/zinc/29/93/31/888299331.db2.gz ITPMWZYTKCAPRI-KRWDZBQOSA-N 0 0 423.822 4.103 20 30 HIEDRN COc1cc(C2(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)CC2)ccc1C ZINC000473561607 888301210 /nfs/dbraw/zinc/30/12/10/888301210.db2.gz IVMXIQPRBUFJBO-NRFANRHFSA-N 0 0 423.944 4.098 20 30 HIEDRN COc1cc(C2(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)CC2)ccc1C ZINC000473561608 888301612 /nfs/dbraw/zinc/30/16/12/888301612.db2.gz IVMXIQPRBUFJBO-OAQYLSRUSA-N 0 0 423.944 4.098 20 30 HIEDRN CC(C)c1nc2ccc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)cc2s1 ZINC000473562982 888302355 /nfs/dbraw/zinc/30/23/55/888302355.db2.gz SRGLPLRBRXGQLW-IBGZPJMESA-N 0 0 418.522 4.421 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000473568772 888308934 /nfs/dbraw/zinc/30/89/34/888308934.db2.gz MOTFVQUUQHEXCX-NLWGTHIKSA-N 0 0 415.871 4.131 20 30 HIEDRN CC(C)(C)c1ncsc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473569804 888310790 /nfs/dbraw/zinc/31/07/90/888310790.db2.gz OLZYGWWVRXXKCQ-MRXNPFEDSA-N 0 0 402.951 4.117 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000473575192 888316383 /nfs/dbraw/zinc/31/63/83/888316383.db2.gz LVPOOPGTTCVANP-KZNAEPCWSA-N 0 0 413.871 4.418 20 30 HIEDRN C[C@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1cn(C)c2ccccc12 ZINC000473582141 888323925 /nfs/dbraw/zinc/32/39/25/888323925.db2.gz KBFAPPSBCUOIAY-SBUREZEXSA-N 0 0 420.944 4.344 20 30 HIEDRN CCC(CC)n1nc(C)cc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473583875 888325582 /nfs/dbraw/zinc/32/55/82/888325582.db2.gz VIKZNHGZDYVTSA-OAQYLSRUSA-N 0 0 413.953 4.229 20 30 HIEDRN CSc1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1F ZINC000473584911 888326965 /nfs/dbraw/zinc/32/69/65/888326965.db2.gz MDMNYXAUAALAAR-GOSISDBHSA-N 0 0 403.910 4.224 20 30 HIEDRN COC(=O)C[C@H](NC(=O)Nc1cc(C#N)ccc1OC)c1ccc2ccccc2c1 ZINC000473652366 888400796 /nfs/dbraw/zinc/40/07/96/888400796.db2.gz OUVAZJAEDMNSJL-IBGZPJMESA-N 0 0 403.438 4.146 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000504431039 913242886 /nfs/dbraw/zinc/24/28/86/913242886.db2.gz JLBYZZJBKXZGII-GOSISDBHSA-N 0 0 424.844 4.131 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000473708065 888484000 /nfs/dbraw/zinc/48/40/00/888484000.db2.gz YOPITNOCIRTXRG-OAHLLOKOSA-N 0 0 407.495 4.424 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2)cc1 ZINC000473769902 888568122 /nfs/dbraw/zinc/56/81/22/888568122.db2.gz GQTAUUTWELZDQD-ZRBLBEILSA-N 0 0 405.498 4.411 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cc2Cl)cc1 ZINC000473775440 888576848 /nfs/dbraw/zinc/57/68/48/888576848.db2.gz XIWGSEYJNCXDJG-OALUTQOASA-N 0 0 424.888 4.279 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000473783527 888591272 /nfs/dbraw/zinc/59/12/72/888591272.db2.gz DHOYTTBVFWDEFH-UHFFFAOYSA-N 0 0 411.440 4.325 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CC(N)=O)C2CCCCC2)cc1F ZINC000473804520 888626224 /nfs/dbraw/zinc/62/62/24/888626224.db2.gz IPDWOOYHJFZEBR-IBGZPJMESA-N 0 0 424.476 4.435 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000473822770 888653708 /nfs/dbraw/zinc/65/37/08/888653708.db2.gz JMHGTVRQRBMPGG-AEFFLSMTSA-N 0 0 414.575 4.384 20 30 HIEDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000473833598 888667947 /nfs/dbraw/zinc/66/79/47/888667947.db2.gz XXSJPZBDZPBHFZ-OOMBGRCJSA-N 0 0 421.541 4.147 20 30 HIEDRN Cc1cc(Br)c(F)cc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000473854400 888705071 /nfs/dbraw/zinc/70/50/71/888705071.db2.gz OGYACAVFYIWVJJ-UHFFFAOYSA-N 0 0 417.282 4.122 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc(F)c(Br)cc1C ZINC000473864783 888719522 /nfs/dbraw/zinc/71/95/22/888719522.db2.gz LRHVOVODOKDDBE-UHFFFAOYSA-N 0 0 422.254 4.438 20 30 HIEDRN Cc1cc(Br)c(F)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000473864869 888720334 /nfs/dbraw/zinc/72/03/34/888720334.db2.gz MRJOLUSRUWHRLA-SFHVURJKSA-N 0 0 418.266 4.374 20 30 HIEDRN CC(C)(CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000473875849 888739199 /nfs/dbraw/zinc/73/91/99/888739199.db2.gz JMKTUEXSFOXRSJ-NRFANRHFSA-N 0 0 423.944 4.088 20 30 HIEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3-c3ccccc3)C2=O)cc1 ZINC000504492329 913283858 /nfs/dbraw/zinc/28/38/58/913283858.db2.gz DUPQFMWSLAGLHG-JOCHJYFZSA-N 0 0 424.460 4.069 20 30 HIEDRN CCCOc1ccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1 ZINC000473972025 888838591 /nfs/dbraw/zinc/83/85/91/888838591.db2.gz UWEVJPQURPRYGL-UHFFFAOYSA-N 0 0 407.514 4.409 20 30 HIEDRN C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000474128641 888949604 /nfs/dbraw/zinc/94/96/04/888949604.db2.gz HYRLNLRVCBOWSB-APPDUMDISA-N 0 0 411.811 4.324 20 30 HIEDRN COc1ccc(OC)c(CN(CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C)c1 ZINC000474156713 888990183 /nfs/dbraw/zinc/99/01/83/888990183.db2.gz IGVRDPWSCGWHGK-UHFFFAOYSA-N 0 0 415.559 4.493 20 30 HIEDRN CCC1(CC)CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)c2ccccc21 ZINC000474239721 889085934 /nfs/dbraw/zinc/08/59/34/889085934.db2.gz QPIZMENBUYMDHB-JOCHJYFZSA-N 0 0 401.510 4.154 20 30 HIEDRN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000474240589 889087062 /nfs/dbraw/zinc/08/70/62/889087062.db2.gz QFABVRVIJVEKKS-YWZLYKJASA-N 0 0 400.931 4.433 20 30 HIEDRN N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000504529668 913309359 /nfs/dbraw/zinc/30/93/59/913309359.db2.gz HSUWUMJLJCWFAU-UHFFFAOYSA-N 0 0 423.429 4.127 20 30 HIEDRN CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000504546816 913323024 /nfs/dbraw/zinc/32/30/24/913323024.db2.gz HIYSFKHJLJSDOI-LJQANCHMSA-N 0 0 405.907 4.328 20 30 HIEDRN N#Cc1ccc(Cl)cc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000474403598 889269639 /nfs/dbraw/zinc/26/96/39/889269639.db2.gz RLRBODXPSIGBMU-GOSISDBHSA-N 0 0 412.873 4.115 20 30 HIEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCN3CCOCC3)n2)o1 ZINC000504553984 913328404 /nfs/dbraw/zinc/32/84/04/913328404.db2.gz JDFQPXAHPQQGAF-UHFFFAOYSA-N 0 0 411.449 4.355 20 30 HIEDRN N#CC[C@H](CC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 ZINC000474431278 889296617 /nfs/dbraw/zinc/29/66/17/889296617.db2.gz KBBQZBGCLQTROU-CYBMUJFWSA-N 0 0 421.810 4.105 20 30 HIEDRN CCO[C@@H]1C[C@@](O)(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1(C)C ZINC000474492380 889353318 /nfs/dbraw/zinc/35/33/18/889353318.db2.gz NFHFNIBXHBRNRL-NFBKMPQASA-N 0 0 409.486 4.038 20 30 HIEDRN N#CCC[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000474523759 889394074 /nfs/dbraw/zinc/39/40/74/889394074.db2.gz ZGTRTXWRLKWFBR-INIZCTEOSA-N 0 0 411.914 4.446 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000474525475 889397756 /nfs/dbraw/zinc/39/77/56/889397756.db2.gz HMXQZVYUOLCDKF-VQIMIIECSA-N 0 0 409.452 4.480 20 30 HIEDRN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000474620898 889484254 /nfs/dbraw/zinc/48/42/54/889484254.db2.gz IBPQJFPFPDEWOU-UHFFFAOYSA-N 0 0 420.494 4.224 20 30 HIEDRN N#C[C@]1(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CCc2ccccc2C1 ZINC000474659270 889522988 /nfs/dbraw/zinc/52/29/88/889522988.db2.gz JNFILAIATHPMRB-DEOSSOPVSA-N 0 0 400.482 4.038 20 30 HIEDRN Cc1cc(C)c(C(=O)N(C)Cc2cccc(C#N)c2)cc1I ZINC000474700589 889558987 /nfs/dbraw/zinc/55/89/87/889558987.db2.gz GQTCQYGZLMBGJF-UHFFFAOYSA-N 0 0 404.251 4.052 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@]2(CO)Cc2ccccc2)cc1C(F)(F)F ZINC000474719841 889577149 /nfs/dbraw/zinc/57/71/49/889577149.db2.gz OOWDKCXIXSFTQT-HXUWFJFHSA-N 0 0 403.404 4.179 20 30 HIEDRN C=C(C)COCCNC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000474748317 889605254 /nfs/dbraw/zinc/60/52/54/889605254.db2.gz KFLROPHPYXKGCK-UHFFFAOYSA-N 0 0 407.942 4.459 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)Cn2cc(-c3ccccc3)nn2)cc1F ZINC000474753841 889611708 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20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000474829539 889686809 /nfs/dbraw/zinc/68/68/09/889686809.db2.gz GECDURUBNBRVMA-UHFFFAOYSA-N 0 0 403.490 4.101 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)noc1Cl ZINC000504623480 913378095 /nfs/dbraw/zinc/37/80/95/913378095.db2.gz YDJHREOHIWMVTG-UHFFFAOYSA-N 0 0 401.663 4.295 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000474897754 889757257 /nfs/dbraw/zinc/75/72/57/889757257.db2.gz OHANSPHJSXPJMP-UHFFFAOYSA-N 0 0 410.521 4.375 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(N3CN=NC3=O)c2)cc1 ZINC000474905738 889766450 /nfs/dbraw/zinc/76/64/50/889766450.db2.gz INMUTKISCBIVCZ-UHFFFAOYSA-N 0 0 411.421 4.198 20 30 HIEDRN N#Cc1ccc(CC(=O)N[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc1 ZINC000474976571 889830707 /nfs/dbraw/zinc/83/07/07/889830707.db2.gz YLFWDKCCSQDRBI-NRFANRHFSA-N 0 0 420.310 4.358 20 30 HIEDRN Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 ZINC000474980030 889834721 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404.510 4.447 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2ccc(C(N)=O)cc2F)cc1 ZINC000475769966 890715000 /nfs/dbraw/zinc/71/50/00/890715000.db2.gz RJSICWFIYXBXIP-UHFFFAOYSA-N 0 0 420.419 4.170 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)c1 ZINC000475778624 890721438 /nfs/dbraw/zinc/72/14/38/890721438.db2.gz HIOXXFUVEGBYDE-UHFFFAOYSA-N 0 0 424.460 4.459 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)Nc3cc(-c4ccccc4)ns3)CC2)cc1 ZINC000475792179 890730995 /nfs/dbraw/zinc/73/09/95/890730995.db2.gz CQOUGXQTRIIXKW-UHFFFAOYSA-N 0 0 417.538 4.422 20 30 HIEDRN N#CC1(CS(=O)(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 ZINC000475794381 890733101 /nfs/dbraw/zinc/73/31/01/890733101.db2.gz UIDOCNXUBFHWCB-UHFFFAOYSA-N 0 0 400.466 4.130 20 30 HIEDRN CCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000475800408 890735758 /nfs/dbraw/zinc/73/57/58/890735758.db2.gz MZDAOTCHVHQWLN-SFHVURJKSA-N 0 0 418.472 4.314 20 30 HIEDRN Cc1nc2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000475802045 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CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476218202 891146206 /nfs/dbraw/zinc/14/62/06/891146206.db2.gz FMJWWCPJQABGBC-SFHVURJKSA-N 0 0 420.431 4.018 20 30 HIEDRN C=C(C)[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1OC)c1ccc(F)c(F)c1 ZINC000476218887 891146688 /nfs/dbraw/zinc/14/66/88/891146688.db2.gz OOHNIRULRFUBKZ-GOSISDBHSA-N 0 0 401.862 4.364 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000504807055 913527658 /nfs/dbraw/zinc/52/76/58/913527658.db2.gz VCODXSKRIGHGNL-UHFFFAOYSA-N 0 0 404.489 4.224 20 30 HIEDRN N#Cc1cc([N+](=O)[O-])cnc1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000476232141 891155785 /nfs/dbraw/zinc/15/57/85/891155785.db2.gz NDRFINXPXSXMCB-UHFFFAOYSA-N 0 0 410.437 4.385 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000476234961 891158968 /nfs/dbraw/zinc/15/89/68/891158968.db2.gz SAQNKOWXEOXOHI-UHFFFAOYSA-N 0 0 421.950 4.445 20 30 HIEDRN Cn1ncc(C(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)c1C#N ZINC000476250785 891175562 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HIEDRN Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3ccc(C(C)(C)C#N)cc3)no2)cn1 ZINC000476626190 891562263 /nfs/dbraw/zinc/56/22/63/891562263.db2.gz BULFLWVMCQFUCH-LJQANCHMSA-N 0 0 418.501 4.029 20 30 HIEDRN COC(=O)[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000476648876 891588381 /nfs/dbraw/zinc/58/83/81/891588381.db2.gz OSXGKXCIRSOSSJ-LIRRHRJNSA-N 0 0 405.281 4.411 20 30 HIEDRN CCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476655552 891599661 /nfs/dbraw/zinc/59/96/61/891599661.db2.gz HCLOXQJDPIXAPT-FPOVZHCZSA-N 0 0 415.459 4.470 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)cc1 ZINC000476660875 891608744 /nfs/dbraw/zinc/60/87/44/891608744.db2.gz DNABMJJSXKMCSE-SFHVURJKSA-N 0 0 401.304 4.104 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000476667789 891615422 /nfs/dbraw/zinc/61/54/22/891615422.db2.gz WIBDGRPQAIWQNO-KRWDZBQOSA-N 0 0 401.466 4.129 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CCCc4c(O)cccc43)ccc21 ZINC000476672232 891622331 /nfs/dbraw/zinc/62/23/31/891622331.db2.gz JHNNUOVVVYJUJO-FQEVSTJZSA-N 0 0 403.482 4.034 20 30 HIEDRN Cc1nc(C(=O)N(C)Cc2cccc(C#N)c2)nn1-c1c(Cl)cccc1Cl ZINC000476675637 891626039 /nfs/dbraw/zinc/62/60/39/891626039.db2.gz YGIPCNZRWCIKON-UHFFFAOYSA-N 0 0 400.269 4.026 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000504854245 913580564 /nfs/dbraw/zinc/58/05/64/913580564.db2.gz UEYXVBSNZHRVRQ-QGZVFWFLSA-N 0 0 408.550 4.067 20 30 HIEDRN COC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H]1C ZINC000476777755 891756329 /nfs/dbraw/zinc/75/63/29/891756329.db2.gz KKMAIYXTKGFQKF-YOEHRIQHSA-N 0 0 412.873 4.275 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)NCC)cc1 ZINC000476784192 891765174 /nfs/dbraw/zinc/76/51/74/891765174.db2.gz BYNQESMQUVCBHJ-UHFFFAOYSA-N 0 0 400.544 4.018 20 30 HIEDRN C[C@H]1Cc2c(nc3ccccc3c2C(=O)N2CC(O)(CC#N)C2)/C(=C/c2ccccc2)C1 ZINC000476817417 891802738 /nfs/dbraw/zinc/80/27/38/891802738.db2.gz GBPOKTZSTRYEHJ-KETZHDHUSA-N 0 0 423.516 4.458 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1ccc(F)c(F)c1 ZINC000476845642 891818869 /nfs/dbraw/zinc/81/88/69/891818869.db2.gz CTUHBFQIINBTBA-OAQYLSRUSA-N 0 0 400.473 4.467 20 30 HIEDRN C=C(C)[C@H](NC(=O)NCc1cccc(C(=O)NCCC)c1)c1ccc(F)c(F)c1 ZINC000476856349 891825135 /nfs/dbraw/zinc/82/51/35/891825135.db2.gz RCZMDYTYSUDDGV-FQEVSTJZSA-N 0 0 401.457 4.221 20 30 HIEDRN COc1cc(C[S@](=O)Cc2ccc(C#N)cc2)ccc1OCc1cccc(C#N)c1 ZINC000476885623 891843526 /nfs/dbraw/zinc/84/35/26/891843526.db2.gz PUOGGXILXHJXPO-SSEXGKCCSA-N 0 0 416.502 4.466 20 30 HIEDRN C=C(C)[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(F)c(F)c1 ZINC000476916174 891866312 /nfs/dbraw/zinc/86/63/12/891866312.db2.gz RTWZADJAVNUXKB-AOMKIAJQSA-N 0 0 415.484 4.416 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000476924074 891871439 /nfs/dbraw/zinc/87/14/39/891871439.db2.gz CZXVHZWJVHOAQJ-MRXNPFEDSA-N 0 0 413.319 4.277 20 30 HIEDRN C=CCCCN(C)C(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000476929980 891875910 /nfs/dbraw/zinc/87/59/10/891875910.db2.gz GGEINHMKLXPXMU-UHFFFAOYSA-N 0 0 413.223 4.298 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NCCc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000476999957 891927590 /nfs/dbraw/zinc/92/75/90/891927590.db2.gz DPVRALSSFJWHSQ-OAQYLSRUSA-N 0 0 420.456 4.150 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000477005998 891932816 /nfs/dbraw/zinc/93/28/16/891932816.db2.gz AMGIHGAVFQEVCG-KRWDZBQOSA-N 0 0 416.308 4.330 20 30 HIEDRN COc1ccc(CN(C(=O)COc2cccnc2C#N)[C@H](C)Cc2cccs2)cc1 ZINC000477055863 891986788 /nfs/dbraw/zinc/98/67/88/891986788.db2.gz FUCRVIBAVWJOJA-QGZVFWFLSA-N 0 0 421.522 4.062 20 30 HIEDRN N#Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Oc4cccc(F)c4)cc3)C2=O)cc1 ZINC000477081293 892017032 /nfs/dbraw/zinc/01/70/32/892017032.db2.gz LEXMAGOPCYANJX-NRFANRHFSA-N 0 0 401.397 4.234 20 30 HIEDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)n1 ZINC000477085682 892018989 /nfs/dbraw/zinc/01/89/89/892018989.db2.gz HGIOLLYEOAEVEF-INIZCTEOSA-N 0 0 404.495 4.105 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000477097499 892031491 /nfs/dbraw/zinc/03/14/91/892031491.db2.gz KJSUSPILTDTDSL-SFHVURJKSA-N 0 0 412.331 4.259 20 30 HIEDRN CCOC(=O)c1csc(C2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)n1 ZINC000477119968 892049606 /nfs/dbraw/zinc/04/96/06/892049606.db2.gz IJTWJKSKWUGETK-GOSISDBHSA-N 0 0 411.527 4.113 20 30 HIEDRN N#Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 ZINC000477122436 892051954 /nfs/dbraw/zinc/05/19/54/892051954.db2.gz IBCNJUMPJYSEGS-JOCHJYFZSA-N 0 0 415.424 4.020 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)nn1Cc1ccccn1 ZINC000477166664 892088103 /nfs/dbraw/zinc/08/81/03/892088103.db2.gz VPWBIPIYKNEJQB-UHFFFAOYSA-N 0 0 407.522 4.022 20 30 HIEDRN Cc1ccc(I)cc1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000477238182 892181941 /nfs/dbraw/zinc/18/19/41/892181941.db2.gz FTFCKOFDMRLJGK-IBGZPJMESA-N 0 0 418.278 4.245 20 30 HIEDRN N#Cc1ccc(SCC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000477240526 892186159 /nfs/dbraw/zinc/18/61/59/892186159.db2.gz OLDRRARWSCERDX-OAHLLOKOSA-N 0 0 405.445 4.064 20 30 HIEDRN CCN(C[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1)CC(F)(F)F ZINC000477261874 892214695 /nfs/dbraw/zinc/21/46/95/892214695.db2.gz SISKSTSZXROYIX-NSHDSACASA-N 0 0 400.338 4.191 20 30 HIEDRN CC(C)(C)c1noc2ncc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc21 ZINC000477282874 892238486 /nfs/dbraw/zinc/23/84/86/892238486.db2.gz YSNBCHCFBXZCDY-UHFFFAOYSA-N 0 0 401.388 4.321 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1F ZINC000477289246 892246562 /nfs/dbraw/zinc/24/65/62/892246562.db2.gz CJJOHQUBDGUQIB-UHFFFAOYSA-N 0 0 400.169 4.389 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cc1F ZINC000477318159 892282135 /nfs/dbraw/zinc/28/21/35/892282135.db2.gz XSBRAALNRVBVRU-UHFFFAOYSA-N 0 0 412.398 4.019 20 30 HIEDRN N#CCCn1ncc(C(=O)NCc2c(F)cccc2OC(F)F)c1-c1ccccc1 ZINC000477325108 892293856 /nfs/dbraw/zinc/29/38/56/892293856.db2.gz XPGPITRFUVVPNX-UHFFFAOYSA-N 0 0 414.387 4.134 20 30 HIEDRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000504915237 913648543 /nfs/dbraw/zinc/64/85/43/913648543.db2.gz RWYDRDXPHDTOJX-CYBMUJFWSA-N 0 0 422.287 4.120 20 30 HIEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cnn(CC(F)F)c1 ZINC000477398678 892354006 /nfs/dbraw/zinc/35/40/06/892354006.db2.gz ZWZGTXCPPJRWLH-UHFFFAOYSA-N 0 0 417.256 4.203 20 30 HIEDRN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C12CCC2 ZINC000477417114 892369658 /nfs/dbraw/zinc/36/96/58/892369658.db2.gz TXCCTXJXGOLQDJ-RTBURBONSA-N 0 0 410.543 4.417 20 30 HIEDRN C[C@H](NC(=O)c1cc(C#N)cn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000477423120 892377249 /nfs/dbraw/zinc/37/72/49/892377249.db2.gz GXNRJVLYVOIMTB-NSHDSACASA-N 0 0 415.316 4.274 20 30 HIEDRN N#CC1(N(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C2CC2)CCC1 ZINC000477445972 892396687 /nfs/dbraw/zinc/39/66/87/892396687.db2.gz SQJAPLIEBSTABF-LJQANCHMSA-N 0 0 401.510 4.129 20 30 HIEDRN CCOc1ccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1F ZINC000477444961 892396733 /nfs/dbraw/zinc/39/67/33/892396733.db2.gz GGPNQKLCFNPBTJ-UHFFFAOYSA-N 0 0 411.477 4.285 20 30 HIEDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477487335 892482196 /nfs/dbraw/zinc/48/21/96/892482196.db2.gz VLDYCYWJHGLZPA-RXVVDRJESA-N 0 0 411.477 4.291 20 30 HIEDRN CN(C[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477487339 892484013 /nfs/dbraw/zinc/48/40/13/892484013.db2.gz VLDYCYWJHGLZPA-WIYYLYMNSA-N 0 0 411.477 4.291 20 30 HIEDRN C=CCn1c(SCC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)nnc1-c1ccoc1C ZINC000477568598 892627762 /nfs/dbraw/zinc/62/77/62/892627762.db2.gz FPCBHQRXZQYBPO-UHFFFAOYSA-N 0 0 422.510 4.237 20 30 HIEDRN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000504947966 913685782 /nfs/dbraw/zinc/68/57/82/913685782.db2.gz GXRLBTDFVPEPSL-UHFFFAOYSA-N 0 0 420.513 4.016 20 30 HIEDRN CSc1cccc([C@H](NS(=O)(=O)CC2(C#N)CCC2)c2ccc(F)c(F)c2)c1 ZINC000477589708 892661790 /nfs/dbraw/zinc/66/17/90/892661790.db2.gz JWLZDIADGQNPTO-IBGZPJMESA-N 0 0 422.522 4.389 20 30 HIEDRN CSc1cccc([C@@H](NS(=O)(=O)CC2(C#N)CCC2)c2cc(F)ccc2F)c1 ZINC000477595432 892671436 /nfs/dbraw/zinc/67/14/36/892671436.db2.gz ZXFKBKMCPHDHSK-LJQANCHMSA-N 0 0 422.522 4.389 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000477608413 892696364 /nfs/dbraw/zinc/69/63/64/892696364.db2.gz IMGFHPOQSJAWJN-CYBMUJFWSA-N 0 0 409.314 4.499 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000477622432 892729557 /nfs/dbraw/zinc/72/95/57/892729557.db2.gz MXNJIIHNIIUDIT-UHFFFAOYSA-N 0 0 410.764 4.085 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(COC(C)C)c1)c1ccc(F)c(F)c1 ZINC000477633754 892753766 /nfs/dbraw/zinc/75/37/66/892753766.db2.gz RFNLGUNNDAZWST-HXUWFJFHSA-N 0 0 402.441 4.262 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(OC(C)C)c(OC)c1)c1ccc(F)c(F)c1 ZINC000477655229 892786728 /nfs/dbraw/zinc/78/67/28/892786728.db2.gz YFLDRALMUNFRDW-HXUWFJFHSA-N 0 0 418.440 4.133 20 30 HIEDRN CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000477658836 892794262 /nfs/dbraw/zinc/79/42/62/892794262.db2.gz CKMBWDKHISRFKS-UHFFFAOYSA-N 0 0 418.453 4.148 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(F)c(F)c1 ZINC000477660094 892799241 /nfs/dbraw/zinc/79/92/41/892799241.db2.gz AVGLMBIYBWSNDP-SFHVURJKSA-N 0 0 408.832 4.307 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OCCC)c1ccc(F)c(F)c1 ZINC000477663829 892800731 /nfs/dbraw/zinc/80/07/31/892800731.db2.gz PGPKTPRGKFEKGN-HXUWFJFHSA-N 0 0 402.441 4.434 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(F)c(SC)c(F)c1)c1ccc(F)c(F)c1 ZINC000477667243 892802405 /nfs/dbraw/zinc/80/24/05/892802405.db2.gz TUUYVLLRBQKOHZ-MRXNPFEDSA-N 0 0 412.408 4.337 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(OC)ccc1OC(C)C)c1ccc(F)c(F)c1 ZINC000477678913 892807512 /nfs/dbraw/zinc/80/75/12/892807512.db2.gz ZDSWZNZQDQMXBK-FQEVSTJZSA-N 0 0 418.440 4.133 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C)c(-c2ncco2)c1)c1ccc(F)c(F)c1 ZINC000477681979 892808217 /nfs/dbraw/zinc/80/82/17/892808217.db2.gz WTYROSFCFWPRGN-IBGZPJMESA-N 0 0 411.408 4.300 20 30 HIEDRN C[C@@H]1CCCN(Cc2csc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)n2)C1 ZINC000477686972 892810540 /nfs/dbraw/zinc/81/05/40/892810540.db2.gz QVVFOYROFDSZJN-CQSZACIVSA-N 0 0 400.523 4.302 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCc3ccccc3[C@H]2CO)cc1 ZINC000477693235 892812889 /nfs/dbraw/zinc/81/28/89/892812889.db2.gz LPFWEEDFHHWCBY-JOCHJYFZSA-N 0 0 400.503 4.441 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCC(C(=O)N(C)CCCC)CC1)c1ccc(F)c(F)c1 ZINC000477729159 892829309 /nfs/dbraw/zinc/82/93/09/892829309.db2.gz QRVZOJAMJKUJPL-HXUWFJFHSA-N 0 0 407.505 4.262 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCC(CC(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000477737326 892834563 /nfs/dbraw/zinc/83/45/63/892834563.db2.gz DBDRTTIWTXHXNM-NRFANRHFSA-N 0 0 405.489 4.016 20 30 HIEDRN C=C(C)[C@H](NC(=O)N(CCOC)Cc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000477742221 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N#Cc1c(C#N)c(N2CCC(NC(=O)C3CCCCC3)CC2)nc2c1CCCCCC2 ZINC000479955306 895308739 /nfs/dbraw/zinc/30/87/39/895308739.db2.gz IIZATMBOAFBYFH-UHFFFAOYSA-N 0 0 419.573 4.149 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1Cl ZINC000505302076 913961826 /nfs/dbraw/zinc/96/18/26/913961826.db2.gz PXTBQVQUKAIEGI-QGZVFWFLSA-N 0 0 402.281 4.265 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CNc4ccccc4)cc3)cc2C1=O ZINC000480040964 895389205 /nfs/dbraw/zinc/38/92/05/895389205.db2.gz QPZINWJZGZYPLV-UHFFFAOYSA-N 0 0 411.461 4.333 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2N2CCC[C@@H](Cc3nccn3C)C2)c1Br ZINC000480078880 895432562 /nfs/dbraw/zinc/43/25/62/895432562.db2.gz BWFORCKTPTUZOG-HNNXBMFYSA-N 0 0 424.346 4.370 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2N2CCC[C@H]([C@H]3CCOC3)C2)c1Br ZINC000480094138 895456960 /nfs/dbraw/zinc/45/69/60/895456960.db2.gz PCVSDSIWGMHWEM-GJZGRUSLSA-N 0 0 400.320 4.430 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2N2CCC(O)(C(F)(F)F)CC2)c1Br ZINC000480095909 895460397 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CC(C)c1noc(CCC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000505314260 913975842 /nfs/dbraw/zinc/97/58/42/913975842.db2.gz MLXFVSQNUNBPJC-FQEVSTJZSA-N 0 0 404.470 4.086 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000480147855 895529984 /nfs/dbraw/zinc/52/99/84/895529984.db2.gz AZCULYZOZLJHHI-QGZVFWFLSA-N 0 0 418.501 4.160 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000480147277 895530607 /nfs/dbraw/zinc/53/06/07/895530607.db2.gz NYJQTJNFMYVMKJ-UHFFFAOYSA-N 0 0 409.877 4.039 20 30 HIEDRN CC(C)(C)OC(=O)CCc1cccc(N[C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000480171524 895562545 /nfs/dbraw/zinc/56/25/45/895562545.db2.gz ZJNGIAPLOBBCLR-SFHVURJKSA-N 0 0 411.527 4.111 20 30 HIEDRN N#C[C@H](NC(=O)CSCc1cscn1)c1ccc(OCc2ccccc2)cc1 ZINC000505318182 913979711 /nfs/dbraw/zinc/97/97/11/913979711.db2.gz BTTFABJABSPNOO-FQEVSTJZSA-N 0 0 409.536 4.336 20 30 HIEDRN N#C[C@H](NC(=O)CCOCC(F)(F)C(F)(F)F)c1c(Cl)cccc1Cl ZINC000480185737 895580039 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ZINC000480322654 895724077 /nfs/dbraw/zinc/72/40/77/895724077.db2.gz YUQHAKXFFSIGDC-UHFFFAOYSA-N 0 0 424.848 4.012 20 30 HIEDRN N#Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000480337164 895741367 /nfs/dbraw/zinc/74/13/67/895741367.db2.gz PGHWHHKBPLCYQK-UHFFFAOYSA-N 0 0 402.406 4.139 20 30 HIEDRN N#Cc1ccc(Oc2ccc(OCC(=O)N[C@@H]3CCOc4ccccc43)cc2)cc1 ZINC000480339192 895743287 /nfs/dbraw/zinc/74/32/87/895743287.db2.gz WEDLDFPKYDAUGO-JOCHJYFZSA-N 0 0 400.434 4.369 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000480377910 895785145 /nfs/dbraw/zinc/78/51/45/895785145.db2.gz PXLBAZBURSTSGC-LJQANCHMSA-N 0 0 400.478 4.359 20 30 HIEDRN COc1cccc(C(NC(=O)[C@@H](C)Oc2ccccc2C#N)c2cccc(OC)c2)c1 ZINC000480383895 895788859 /nfs/dbraw/zinc/78/88/59/895788859.db2.gz CXNNHISYOPYTGV-QGZVFWFLSA-N 0 0 416.477 4.249 20 30 HIEDRN C[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C(F)(F)F ZINC000480385119 895791256 /nfs/dbraw/zinc/79/12/56/895791256.db2.gz OQSOZDHOLANRRA-SECBINFHSA-N 0 0 401.439 4.022 20 30 HIEDRN C=CCn1c(SC[C@H](O)COCc2ccco2)nnc1-c1cccc(Cl)c1 ZINC000480384591 895791335 /nfs/dbraw/zinc/79/13/35/895791335.db2.gz NIMNESMRSRSOPM-MRXNPFEDSA-N 0 0 405.907 4.047 20 30 HIEDRN C=CCn1c(SC[C@H](O)COc2ccc(CC#N)cc2)nnc1-c1ccc(C)cc1 ZINC000480411860 895811431 /nfs/dbraw/zinc/81/14/31/895811431.db2.gz OZFPWTWJHPBGIY-HXUWFJFHSA-N 0 0 420.538 4.038 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccco1 ZINC000480417427 895815155 /nfs/dbraw/zinc/81/51/55/895815155.db2.gz OJZNCIYKDNOSMP-UHFFFAOYSA-N 0 0 420.441 4.446 20 30 HIEDRN N#C[C@H](NC(=O)c1cn(-c2ccccc2Cl)nn1)c1cccc(Cl)c1Cl ZINC000505341907 914006038 /nfs/dbraw/zinc/00/60/38/914006038.db2.gz DUCFBOKIUZVKMI-ZDUSSCGKSA-N 0 0 406.660 4.222 20 30 HIEDRN Cc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nnn1-c1cccc(C)c1 ZINC000505342934 914007058 /nfs/dbraw/zinc/00/70/58/914007058.db2.gz IYHZIQNUTBTYMO-MRXNPFEDSA-N 0 0 400.269 4.186 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000480483715 895860615 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N#Cc1ccc(Cc2cnc(NC(=O)CSc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000487384758 902174285 /nfs/dbraw/zinc/17/42/85/902174285.db2.gz IICJFBCYGSOFTB-UHFFFAOYSA-N 0 0 410.480 4.245 20 30 HIEDRN COc1ccc2c(c1)CCC[C@@H]2N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000487391669 902176190 /nfs/dbraw/zinc/17/61/90/902176190.db2.gz JTUVNBWXLUBJTG-IBGZPJMESA-N 0 0 424.444 4.284 20 30 HIEDRN CC(=O)Nc1ccc(NC(=O)COc2cc(Cl)cc(C#N)c2)c(C(F)(F)F)c1 ZINC000487401092 902184012 /nfs/dbraw/zinc/18/40/12/902184012.db2.gz FDKTUTPGXAGQFX-UHFFFAOYSA-N 0 0 411.767 4.206 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)nn1-c1ccc(F)cc1F ZINC000505948263 914600945 /nfs/dbraw/zinc/60/09/45/914600945.db2.gz OBKATKNXGYUYFK-QGZVFWFLSA-N 0 0 420.341 4.472 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000487415735 902198859 /nfs/dbraw/zinc/19/88/59/902198859.db2.gz FZVRKRTWXNAKLY-CQSZACIVSA-N 0 0 407.455 4.427 20 30 HIEDRN CC(C)(C#N)c1ccccc1CN(CCO)Cc1cc(Br)ccc1F ZINC000487417202 902200546 /nfs/dbraw/zinc/20/05/46/902200546.db2.gz RYERQJAZBOATDT-UHFFFAOYSA-N 0 0 405.311 4.384 20 30 HIEDRN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000487417120 902200670 /nfs/dbraw/zinc/20/06/70/902200670.db2.gz KJMDQUCESCRVOZ-VHSXEESVSA-N 0 0 422.539 4.096 20 30 HIEDRN C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000487522981 902232482 /nfs/dbraw/zinc/23/24/82/902232482.db2.gz UZLQIYNBTWDNSD-SWLSCSKDSA-N 0 0 405.285 4.184 20 30 HIEDRN Cc1c(C(=O)N[C@H](CCCC#N)c2ccccc2)nnn1-c1cccc2cccnc21 ZINC000487575103 902245570 /nfs/dbraw/zinc/24/55/70/902245570.db2.gz NZJJVJLTWCCPGU-HXUWFJFHSA-N 0 0 410.481 4.289 20 30 HIEDRN C[C@H]1Sc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2NC1=O ZINC000505954717 914608167 /nfs/dbraw/zinc/60/81/67/914608167.db2.gz PQNWNNZOJUOWNA-MEBBXXQBSA-N 0 0 405.401 4.133 20 30 HIEDRN C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[nH]2)nc2sc3c(c2c1=O)CCCC3 ZINC000487713465 902309340 /nfs/dbraw/zinc/30/93/40/902309340.db2.gz GSMFYPCPXFMLPN-GFCCVEGCSA-N 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902408789 /nfs/dbraw/zinc/40/87/89/902408789.db2.gz NKZOWFKNTZOFMH-ROUUACIJSA-N 0 0 400.276 4.363 20 30 HIEDRN COc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC(F)F ZINC000505965191 914625143 /nfs/dbraw/zinc/62/51/43/914625143.db2.gz HOKJQOPMAWIZEB-CYBMUJFWSA-N 0 0 400.303 4.310 20 30 HIEDRN N#Cc1ccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1Br ZINC000487860935 902411677 /nfs/dbraw/zinc/41/16/77/902411677.db2.gz VXAPKEPKWSREHF-LJQANCHMSA-N 0 0 414.303 4.225 20 30 HIEDRN CCCn1ccnc1CCCN(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487870990 902416546 /nfs/dbraw/zinc/41/65/46/902416546.db2.gz BJSHIPDGJLZDEB-UHFFFAOYSA-N 0 0 404.312 4.024 20 30 HIEDRN COc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC(F)F ZINC000505965192 914625455 /nfs/dbraw/zinc/62/54/55/914625455.db2.gz HOKJQOPMAWIZEB-ZDUSSCGKSA-N 0 0 400.303 4.310 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N(C)CC(=O)Nc3ccccc3Br)c2c1 ZINC000487907469 902442362 /nfs/dbraw/zinc/44/23/62/902442362.db2.gz KNWVTRHJHTULBI-UHFFFAOYSA-N 0 0 409.287 4.252 20 30 HIEDRN COc1ccc(-n2c(Sc3ccc(C#N)c(C)n3)nnc2-c2ccncc2)cc1 ZINC000487910645 902445744 /nfs/dbraw/zinc/44/57/44/902445744.db2.gz ONTKZAJEPIZGKN-UHFFFAOYSA-N 0 0 400.467 4.064 20 30 HIEDRN N#Cc1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc32)cc1Br ZINC000487916522 902449147 /nfs/dbraw/zinc/44/91/47/902449147.db2.gz MCQFJZCDPIXRPK-UHFFFAOYSA-N 0 0 423.270 4.234 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)C2)n1 ZINC000487931323 902461758 /nfs/dbraw/zinc/46/17/58/902461758.db2.gz HNJQHGDNYADNRF-LJQANCHMSA-N 0 0 404.514 4.346 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2csc(-c3ccco3)n2)cc1Br ZINC000487930159 902461920 /nfs/dbraw/zinc/46/19/20/902461920.db2.gz BOSJNTIDBNVKBB-UHFFFAOYSA-N 0 0 403.261 4.359 20 30 HIEDRN C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487936141 902465173 /nfs/dbraw/zinc/46/51/73/902465173.db2.gz QGQOYDIWHVHZDE-UHFFFAOYSA-N 0 0 419.298 4.056 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)Cc2ccc(F)cc2C)c1C#N ZINC000487961504 902487514 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C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000505970938 914633271 /nfs/dbraw/zinc/63/32/71/914633271.db2.gz LQKBFASDHRGJAM-OCBCSQNSSA-N 0 0 401.388 4.295 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cn(-c3ccccc3)nn2)cc1 ZINC000488014151 902534803 /nfs/dbraw/zinc/53/48/03/902534803.db2.gz LKAYLDUGTHYVJF-UHFFFAOYSA-N 0 0 411.440 4.121 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC000488065584 902578527 /nfs/dbraw/zinc/57/85/27/902578527.db2.gz CIZJZNILFBFRJW-UHFFFAOYSA-N 0 0 404.901 4.421 20 30 HIEDRN C=CCn1c(SCCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(OC)cc1 ZINC000488076113 902586024 /nfs/dbraw/zinc/58/60/24/902586024.db2.gz DJYYQQSKNCZEPY-UHFFFAOYSA-N 0 0 424.526 4.269 20 30 HIEDRN CCCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[C@H](C)C1 ZINC000488096905 902600136 /nfs/dbraw/zinc/60/01/36/902600136.db2.gz GAVUUUCPUNGYMY-GOEBONIOSA-N 0 0 407.461 4.306 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000505978145 914640908 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CCn1c2ccc(C#N)cc2nc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000490790022 904236233 /nfs/dbraw/zinc/23/62/33/904236233.db2.gz GGHMQAKBVWSCGU-UHFFFAOYSA-N 0 0 404.861 4.328 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000490888756 904304576 /nfs/dbraw/zinc/30/45/76/904304576.db2.gz ZXIATGYFDYVLGX-UHFFFAOYSA-N 0 0 423.519 4.090 20 30 HIEDRN COc1cc(OC)c(NC(=O)CSCc2ccc(C#N)cc2)cc1Br ZINC000490936490 904326637 /nfs/dbraw/zinc/32/66/37/904326637.db2.gz ATCYQZPJYSDRKP-UHFFFAOYSA-N 0 0 421.316 4.210 20 30 HIEDRN Cn1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F ZINC000491005334 904365538 /nfs/dbraw/zinc/36/55/38/904365538.db2.gz USBRJQIHVVHRJY-UHFFFAOYSA-N 0 0 403.229 4.311 20 30 HIEDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000491081403 904416116 /nfs/dbraw/zinc/41/61/16/904416116.db2.gz BCQVHYWMIOBAFP-XMMPIXPASA-N 0 0 420.557 4.122 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000491111236 904434967 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C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000491175932 904468917 /nfs/dbraw/zinc/46/89/17/904468917.db2.gz YKXFXZUESVLJQD-UHFFFAOYSA-N 0 0 402.491 4.452 20 30 HIEDRN C[C@H](c1ccc(F)cc1F)N1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491239922 904497769 /nfs/dbraw/zinc/49/77/69/904497769.db2.gz QZNWSDHJEDHNIT-QGZVFWFLSA-N 0 0 421.495 4.116 20 30 HIEDRN C=CCNC(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000506132272 914816835 /nfs/dbraw/zinc/81/68/35/914816835.db2.gz RAWHTBDWCBRVEV-GOSISDBHSA-N 0 0 403.482 4.146 20 30 HIEDRN COc1ccc(CN(C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000506146979 914824109 /nfs/dbraw/zinc/82/41/09/914824109.db2.gz FGMUIDNWLOMTAN-MRXNPFEDSA-N 0 0 417.456 4.064 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000491472506 904615715 /nfs/dbraw/zinc/61/57/15/904615715.db2.gz VFFFBHRAMJJLPR-UHFFFAOYSA-N 0 0 410.688 4.206 20 30 HIEDRN Cc1cccc(-n2nnnc2SCc2cc(C#N)ccc2Br)c1C ZINC000491530092 904637901 /nfs/dbraw/zinc/63/79/01/904637901.db2.gz 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O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000516906340 923938162 /nfs/dbraw/zinc/93/81/62/923938162.db2.gz MJEGBQLULQOSKI-JOYOIKCWSA-N 0 0 421.744 4.018 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000516981456 923950468 /nfs/dbraw/zinc/95/04/68/923950468.db2.gz WPAWUZIRYDBQGW-UHFFFAOYSA-N 0 0 404.297 4.241 20 30 HIEDRN CC(C)Oc1c(F)cc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1F ZINC000516981352 923951192 /nfs/dbraw/zinc/95/11/92/923951192.db2.gz PECJJOUIINPFCD-UHFFFAOYSA-N 0 0 400.429 4.236 20 30 HIEDRN Cc1sc2nc(CS[C@H](C)C(=O)N3CCc4ccc(C#N)cc43)[nH]c(=O)c2c1C ZINC000516984732 923952461 /nfs/dbraw/zinc/95/24/61/923952461.db2.gz WPXCNHKVNLTMGL-CYBMUJFWSA-N 0 0 424.551 4.096 20 30 HIEDRN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000516993012 923957505 /nfs/dbraw/zinc/95/75/05/923957505.db2.gz WTODHQPCBKJUPS-LJQANCHMSA-N 0 0 409.530 4.402 20 30 HIEDRN C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC000517058357 923980017 /nfs/dbraw/zinc/98/00/17/923980017.db2.gz CBYZQSLOXFWXLK-SFTDATJTSA-N 0 0 410.562 4.472 20 30 HIEDRN CSc1ncc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1-c1ccccc1 ZINC000517079017 923985897 /nfs/dbraw/zinc/98/58/97/923985897.db2.gz FTWLTHWMYGZEHD-UHFFFAOYSA-N 0 0 418.522 4.149 20 30 HIEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000517084797 923988318 /nfs/dbraw/zinc/98/83/18/923988318.db2.gz PHKGMBOZFKAWSE-ZDUSSCGKSA-N 0 0 401.488 4.169 20 30 HIEDRN COc1ccc(OC2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)cc1 ZINC000517105041 924000327 /nfs/dbraw/zinc/00/03/27/924000327.db2.gz ABYNXWYVVARLTF-QHCPKHFHSA-N 0 0 408.498 4.040 20 30 HIEDRN COc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000517107851 924001976 /nfs/dbraw/zinc/00/19/76/924001976.db2.gz RGEAFYLMXNWXRB-OAQYLSRUSA-N 0 0 402.498 4.254 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc([C@H]3CCN(c4ccccc4Cl)C3)n2)c1 ZINC000517265529 924069183 /nfs/dbraw/zinc/06/91/83/924069183.db2.gz JOCVEGKNMKUHIF-KRWDZBQOSA-N 0 0 408.889 4.300 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1nnc2n1CCCCC2 ZINC000517353346 924125747 /nfs/dbraw/zinc/12/57/47/924125747.db2.gz PGIVSTCGUMSWPA-OAHLLOKOSA-N 0 0 419.460 4.299 20 30 HIEDRN CCCNC(=O)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000517386910 924150677 /nfs/dbraw/zinc/15/06/77/924150677.db2.gz HNHHPDOBAKEEIG-UHFFFAOYSA-N 0 0 421.566 4.229 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000517404931 924160911 /nfs/dbraw/zinc/16/09/11/924160911.db2.gz YJHKINJSOYMRPF-UHFFFAOYSA-N 0 0 412.555 4.453 20 30 HIEDRN C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc3oc4ccccc4c3c2)cc1 ZINC000517416970 924167353 /nfs/dbraw/zinc/16/73/53/924167353.db2.gz GFRSCMYPZLMOSK-UHFFFAOYSA-N 0 0 400.434 4.406 20 30 HIEDRN CCCOc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1 ZINC000517419846 924171326 /nfs/dbraw/zinc/17/13/26/924171326.db2.gz XMZFMFPNGZRBSM-UHFFFAOYSA-N 0 0 408.380 4.005 20 30 HIEDRN CCOCCOc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000517437625 924187156 /nfs/dbraw/zinc/18/71/56/924187156.db2.gz HUZLUGVGRPAMIK-MRXNPFEDSA-N 0 0 420.556 4.154 20 30 HIEDRN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000517460835 924206140 /nfs/dbraw/zinc/20/61/40/924206140.db2.gz ZTYPNSLQTOOKRF-HSZRJFAPSA-N 0 0 424.497 4.109 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000517460665 924206377 /nfs/dbraw/zinc/20/63/77/924206377.db2.gz PCMCSWNOCIEOSW-KGLIPLIRSA-N 0 0 400.479 4.226 20 30 HIEDRN COc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000517465696 924208363 /nfs/dbraw/zinc/20/83/63/924208363.db2.gz CGRJIHYHGKQHMV-IBGZPJMESA-N 0 0 409.511 4.003 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000517474120 924214829 /nfs/dbraw/zinc/21/48/29/924214829.db2.gz UZIJHOHEKXDIDE-SFHVURJKSA-N 0 0 416.591 4.095 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000517474119 924215370 /nfs/dbraw/zinc/21/53/70/924215370.db2.gz UZIJHOHEKXDIDE-GOSISDBHSA-N 0 0 416.591 4.095 20 30 HIEDRN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000517508552 924236850 /nfs/dbraw/zinc/23/68/50/924236850.db2.gz PLQUQHCCJPIMQM-UHFFFAOYSA-N 0 0 420.513 4.463 20 30 HIEDRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000517509784 924237864 /nfs/dbraw/zinc/23/78/64/924237864.db2.gz TZYMTGWDAVSFDL-HXUWFJFHSA-N 0 0 424.460 4.442 20 30 HIEDRN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000517518580 924243079 /nfs/dbraw/zinc/24/30/79/924243079.db2.gz MBHNHKTYOOXUBS-HNNXBMFYSA-N 0 0 402.541 4.056 20 30 HIEDRN C=CCN(C(=O)c1cc(Cl)sc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517522047 924243966 /nfs/dbraw/zinc/24/39/66/924243966.db2.gz NTXCPHDUSNSVCL-LLVKDONJSA-N 0 0 408.314 4.420 20 30 HIEDRN C=CCN(C(=O)Nc1ccc(OC(C)C)cc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528906 924248845 /nfs/dbraw/zinc/24/88/45/924248845.db2.gz MPSFWLHAKBYBPV-MRXNPFEDSA-N 0 0 424.480 4.370 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc1 ZINC000517555836 924264066 /nfs/dbraw/zinc/26/40/66/924264066.db2.gz DOSPRAYPCBCPKK-UHFFFAOYSA-N 0 0 420.893 4.150 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccnc(Oc4ccccc4)c3)C2)c(F)c1 ZINC000517581094 926693824 /nfs/dbraw/zinc/69/38/24/926693824.db2.gz CUJZAGIYCHBRLM-LJQANCHMSA-N 0 0 416.456 4.283 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000517630253 926738883 /nfs/dbraw/zinc/73/88/83/926738883.db2.gz VLMRUDMJYJRDME-UHFFFAOYSA-N 0 0 413.437 4.298 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000517645622 926752842 /nfs/dbraw/zinc/75/28/42/926752842.db2.gz CXSGPFNIYHEELL-HXUWFJFHSA-N 0 0 412.461 4.443 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)CC[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000517654469 926760711 /nfs/dbraw/zinc/76/07/11/926760711.db2.gz RVLPDCIYSULSNS-HXUWFJFHSA-N 0 0 409.482 4.473 20 30 HIEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccccc3OC)c2)c1 ZINC000517688814 926793908 /nfs/dbraw/zinc/79/39/08/926793908.db2.gz FMJOSFDFBGPIOU-UHFFFAOYSA-N 0 0 422.506 4.079 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCCn2c(cc3ccccc32)C1 ZINC000517768798 926828617 /nfs/dbraw/zinc/82/86/17/926828617.db2.gz NJOABWWGHWMUJF-HNNXBMFYSA-N 0 0 404.539 4.296 20 30 HIEDRN Cc1cc(C(F)(F)F)nn1CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000517788790 926836957 /nfs/dbraw/zinc/83/69/57/926836957.db2.gz CPIZJHNZVKDLMG-MRXNPFEDSA-N 0 0 423.332 4.326 20 30 HIEDRN COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000517800662 926842090 /nfs/dbraw/zinc/84/20/90/926842090.db2.gz AGRJTYFTDJBPBF-QGZVFWFLSA-N 0 0 403.463 4.193 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000517824094 926853182 /nfs/dbraw/zinc/85/31/82/926853182.db2.gz NSLZJXVXEPMSMU-UHFFFAOYSA-N 0 0 420.856 4.076 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2cc3ccccc3o2)cc1 ZINC000517839190 926859003 /nfs/dbraw/zinc/85/90/03/926859003.db2.gz OCTFWXHQPZFZRS-UHFFFAOYSA-N 0 0 411.417 4.352 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000517874967 926871605 /nfs/dbraw/zinc/87/16/05/926871605.db2.gz SKZVPDMBRPFADO-AWEZNQCLSA-N 0 0 421.419 4.426 20 30 HIEDRN CC[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1nc(-c2ccccc2)c[nH]1 ZINC000517888994 926876581 /nfs/dbraw/zinc/87/65/81/926876581.db2.gz PIDZKMBWKPYEBZ-HXUWFJFHSA-N 0 0 404.518 4.004 20 30 HIEDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517890696 926877533 /nfs/dbraw/zinc/87/75/33/926877533.db2.gz DZKGSSYWISJFON-UHFFFAOYSA-N 0 0 420.513 4.080 20 30 HIEDRN CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000517893497 926879510 /nfs/dbraw/zinc/87/95/10/926879510.db2.gz OTTRLPWKXNQSBQ-UHFFFAOYSA-N 0 0 415.412 4.085 20 30 HIEDRN COC(=O)c1c(F)cccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000517927962 926892823 /nfs/dbraw/zinc/89/28/23/926892823.db2.gz BEEULPBRNQVFIP-UHFFFAOYSA-N 0 0 404.397 4.315 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000517946797 926898426 /nfs/dbraw/zinc/89/84/26/926898426.db2.gz YISZKQQZMJNZQK-APWZRJJASA-N 0 0 424.444 4.023 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2Cl)cc1Cl ZINC000517968708 926914447 /nfs/dbraw/zinc/91/44/47/926914447.db2.gz HFQXNLCUUGCYNC-UHFFFAOYSA-N 0 0 406.088 4.428 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1)c1ccccc1 ZINC000517992625 926933591 /nfs/dbraw/zinc/93/35/91/926933591.db2.gz WJDGGTKYIMYTHK-LADGPHEKSA-N 0 0 413.521 4.419 20 30 HIEDRN C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CC=CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518001686 926941405 /nfs/dbraw/zinc/94/14/05/926941405.db2.gz IYMHUQRGMZYXCN-RBUKOAKNSA-N 0 0 401.510 4.217 20 30 HIEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000518065699 927003019 /nfs/dbraw/zinc/00/30/19/927003019.db2.gz XKLIUQWCBGASGY-ZDUSSCGKSA-N 0 0 420.296 4.433 20 30 HIEDRN COCCOc1ncccc1C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000518075831 927007623 /nfs/dbraw/zinc/00/76/23/927007623.db2.gz LAUHSLNRIIRGGJ-UHFFFAOYSA-N 0 0 419.456 4.273 20 30 HIEDRN C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000518104977 927023526 /nfs/dbraw/zinc/02/35/26/927023526.db2.gz OPJOIPIVKJCCPE-SFHVURJKSA-N 0 0 400.453 4.384 20 30 HIEDRN COc1ccc(NC(=O)[C@@H](C)Nc2ccccc2SC[C@H](C)C#N)c([N+](=O)[O-])c1 ZINC000518147497 927046318 /nfs/dbraw/zinc/04/63/18/927046318.db2.gz PJQSPDJTMCPFDK-ZIAGYGMSSA-N 0 0 414.487 4.294 20 30 HIEDRN Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)c21 ZINC000518157974 927053470 /nfs/dbraw/zinc/05/34/70/927053470.db2.gz AVVHHNFIMKACAG-OAHLLOKOSA-N 0 0 420.538 4.026 20 30 HIEDRN C=CCN1CCC(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000518211299 927082150 /nfs/dbraw/zinc/08/21/50/927082150.db2.gz BNILFZWFOQKWMS-UHFFFAOYSA-N 0 0 406.935 4.061 20 30 HIEDRN C=CCN(C(=O)CCSc1ccc(C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518231985 927094010 /nfs/dbraw/zinc/09/40/10/927094010.db2.gz INEMCHGMMYWFKY-SFHVURJKSA-N 0 0 407.543 4.229 20 30 HIEDRN COc1cc(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1OC ZINC000518239380 927099760 /nfs/dbraw/zinc/09/97/60/927099760.db2.gz ACOUGCUBFUKXLC-AWEZNQCLSA-N 0 0 400.500 4.288 20 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20 30 HIEDRN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000542038506 939695458 /nfs/dbraw/zinc/69/54/58/939695458.db2.gz FINNWKAJEUUDIR-CQSZACIVSA-N 0 0 408.845 4.006 20 30 HIEDRN O=C(CCc1cncc(F)c1)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000542066357 939702087 /nfs/dbraw/zinc/70/20/87/939702087.db2.gz ZRABBKLXNFPGBL-HNNXBMFYSA-N 0 0 410.289 4.472 20 30 HIEDRN Cc1nnc(-c2ccccc2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)o1 ZINC000542069480 939702426 /nfs/dbraw/zinc/70/24/26/939702426.db2.gz KBGZMTPTCJLUCJ-UHFFFAOYSA-N 0 0 404.817 4.008 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)n2)c(Cl)c1 ZINC000542074607 939702906 /nfs/dbraw/zinc/70/29/06/939702906.db2.gz XMMMTSSALWZQTR-GOSISDBHSA-N 0 0 422.872 4.207 20 30 HIEDRN C=CCC[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 ZINC000542091243 939707468 /nfs/dbraw/zinc/70/74/68/939707468.db2.gz UXGCVEKHRXITKG-LJQANCHMSA-N 0 0 420.431 4.268 20 30 HIEDRN CCN1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542095641 939710745 /nfs/dbraw/zinc/71/07/45/939710745.db2.gz CCXQNRHEDLOQSH-NQIIRXRSSA-N 0 0 419.472 4.019 20 30 HIEDRN Cc1nn(-c2ccccc2)c2nc(C(=O)[C@H](C#N)c3nc4c(cccc4C)[nH]3)ccc12 ZINC000542117102 939719874 /nfs/dbraw/zinc/71/98/74/939719874.db2.gz DCDQFCGXTIAXOZ-SFHVURJKSA-N 0 0 406.449 4.404 20 30 HIEDRN O=C(CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)NC1CC1 ZINC000542122888 939721305 /nfs/dbraw/zinc/72/13/05/939721305.db2.gz IGWCIFLLDLTBPL-GFCCVEGCSA-N 0 0 408.264 4.196 20 30 HIEDRN N#Cc1cccc(-n2ccc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)n2)c1 ZINC000542136105 939726178 /nfs/dbraw/zinc/72/61/78/939726178.db2.gz SCLVFLCDMMZZHW-UHFFFAOYSA-N 0 0 420.432 4.435 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N(CCc3ccccc3)Cc3ccncc3)n2)c1 ZINC000542155930 939734748 /nfs/dbraw/zinc/73/47/48/939734748.db2.gz UUKZRICPZPLGAD-UHFFFAOYSA-N 0 0 407.477 4.024 20 30 HIEDRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563727155 945268238 /nfs/dbraw/zinc/26/82/38/945268238.db2.gz ZZCBIARWRZPLLH-GXTWGEPZSA-N 0 0 423.307 4.027 20 30 HIEDRN CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)cc1 ZINC000542194595 939751816 /nfs/dbraw/zinc/75/18/16/939751816.db2.gz PYRLAIWDSWELMO-UHFFFAOYSA-N 0 0 423.519 4.021 20 30 HIEDRN COCC[C@@H](Cc1ccco1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000542204955 939756087 /nfs/dbraw/zinc/75/60/87/939756087.db2.gz JKLAZINPCSQGKK-KRWDZBQOSA-N 0 0 408.429 4.460 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cccc(Br)c1Cl ZINC000542286909 939785128 /nfs/dbraw/zinc/78/51/28/939785128.db2.gz ICXYBUMMKGTXMJ-UHFFFAOYSA-N 0 0 409.667 4.252 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000542288239 939785728 /nfs/dbraw/zinc/78/57/28/939785728.db2.gz CPQAHSXZLXJAEG-UHFFFAOYSA-N 0 0 415.371 4.403 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000542298664 939790172 /nfs/dbraw/zinc/79/01/72/939790172.db2.gz OXIUJHIAWFBEDJ-UHFFFAOYSA-N 0 0 404.422 4.298 20 30 HIEDRN N#Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C2CC2)cc1 ZINC000542299988 939790520 /nfs/dbraw/zinc/79/05/20/939790520.db2.gz CMWPAYBEJVPBFU-UHFFFAOYSA-N 0 0 400.232 4.034 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000542392955 939813061 /nfs/dbraw/zinc/81/30/61/939813061.db2.gz YTRRZAMMLBMTTQ-SFHVURJKSA-N 0 0 414.378 4.044 20 30 HIEDRN N#CCCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000542420461 939818616 /nfs/dbraw/zinc/81/86/16/939818616.db2.gz FGMMZOZPGWWJKR-GOSISDBHSA-N 0 0 402.951 4.104 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000542427284 939820592 /nfs/dbraw/zinc/82/05/92/939820592.db2.gz JRTJRRMRHSMJPG-JLTOFOAXSA-N 0 0 417.893 4.135 20 30 HIEDRN CCCc1c(NC(=O)NCCOc2ccc(C#N)cc2)cnn1-c1cccc(F)c1 ZINC000542437181 939822628 /nfs/dbraw/zinc/82/26/28/939822628.db2.gz PGCFHTPQIHQUQX-UHFFFAOYSA-N 0 0 407.449 4.036 20 30 HIEDRN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nccs1 ZINC000542522224 939836990 /nfs/dbraw/zinc/83/69/90/939836990.db2.gz RMNVMVZUXREWMH-IBGZPJMESA-N 0 0 407.543 4.161 20 30 HIEDRN CCc1nc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cs1 ZINC000542574826 939845530 /nfs/dbraw/zinc/84/55/30/939845530.db2.gz WQUBRGMWLFCVLR-OAHLLOKOSA-N 0 0 407.543 4.274 20 30 HIEDRN Cc1csc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)n1 ZINC000542579930 939845956 /nfs/dbraw/zinc/84/59/56/939845956.db2.gz CJONREOGQFJFOU-AWEZNQCLSA-N 0 0 411.506 4.159 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3sc(C)c(C)c3C#N)n2)cc1 ZINC000542623442 939849749 /nfs/dbraw/zinc/84/97/49/939849749.db2.gz TWEORNRFBCNGLK-CYBMUJFWSA-N 0 0 409.515 4.138 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000542636495 939850803 /nfs/dbraw/zinc/85/08/03/939850803.db2.gz PLDHWPFEKBKPTP-LEWJYISDSA-N 0 0 411.477 4.126 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000542661304 939852322 /nfs/dbraw/zinc/85/23/22/939852322.db2.gz YKGZYSWSLPQUAS-MDZRGWNJSA-N 0 0 408.527 4.024 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)n1 ZINC000542729239 939857530 /nfs/dbraw/zinc/85/75/30/939857530.db2.gz PZEMOZGIIFVHBI-IBGZPJMESA-N 0 0 413.909 4.210 20 30 HIEDRN Cn1nccc1C1=CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000563741981 945277352 /nfs/dbraw/zinc/27/73/52/945277352.db2.gz YBDNWRJFPKQCDB-UHFFFAOYSA-N 0 0 400.507 4.372 20 30 HIEDRN Cc1onc(CC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000542786014 939860770 /nfs/dbraw/zinc/86/07/70/939860770.db2.gz RWFXLYPGMWGFLB-UHFFFAOYSA-N 0 0 405.420 4.287 20 30 HIEDRN Cc1cc(C(=O)N2CCC(OCC3CCCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000542798714 939860902 /nfs/dbraw/zinc/86/09/02/939860902.db2.gz YMXQDCHRFFMPIZ-UHFFFAOYSA-N 0 0 406.530 4.254 20 30 HIEDRN C=CCSCCNC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000542832582 939861885 /nfs/dbraw/zinc/86/18/85/939861885.db2.gz LCCICZDIYODFQO-UHFFFAOYSA-N 0 0 421.925 4.450 20 30 HIEDRN N#CCC1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000542844235 939862414 /nfs/dbraw/zinc/86/24/14/939862414.db2.gz GAPUYFVNOOGPBQ-UHFFFAOYSA-N 0 0 400.344 4.039 20 30 HIEDRN Cc1ccc(OCc2nc(C[S@](=O)CCCC3(C#N)CCOCC3)cs2)cc1 ZINC000542859858 939863692 /nfs/dbraw/zinc/86/36/92/939863692.db2.gz TXNMCRDEKFNLHI-MUUNZHRXSA-N 0 0 418.584 4.380 20 30 HIEDRN N#CCC1CCN(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CC1 ZINC000542901903 939875318 /nfs/dbraw/zinc/87/53/18/939875318.db2.gz LIRLONHLJIQAJF-UHFFFAOYSA-N 0 0 403.548 4.092 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000542905144 939875692 /nfs/dbraw/zinc/87/56/92/939875692.db2.gz CFJDVZHUHNNXPY-JLTOFOAXSA-N 0 0 421.335 4.137 20 30 HIEDRN Cn1cc(-c2ccc(F)c(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c2)cn1 ZINC000542926606 939879329 /nfs/dbraw/zinc/87/93/29/939879329.db2.gz ZAPKFZZLJFHYIU-UHFFFAOYSA-N 0 0 401.363 4.027 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)c(F)c1 ZINC000542929084 939879969 /nfs/dbraw/zinc/87/99/69/939879969.db2.gz QLRLPXLIFKFRHD-UHFFFAOYSA-N 0 0 419.391 4.248 20 30 HIEDRN C=CCN(Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000542930716 939880484 /nfs/dbraw/zinc/88/04/84/939880484.db2.gz UJKOEMVFRXRPOC-UHFFFAOYSA-N 0 0 407.426 4.225 20 30 HIEDRN CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1F ZINC000542931985 939880680 /nfs/dbraw/zinc/88/06/80/939880680.db2.gz WGKSZNKNFKDYSH-UHFFFAOYSA-N 0 0 423.423 4.259 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3coc(-c4ccccc4Cl)n3)n2)c(F)c1 ZINC000542930934 939880754 /nfs/dbraw/zinc/88/07/54/939880754.db2.gz WYGKZVBLZLIYDL-UHFFFAOYSA-N 0 0 407.792 4.444 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000542944814 939883469 /nfs/dbraw/zinc/88/34/69/939883469.db2.gz BXGHOXSWJNGYGN-UHFFFAOYSA-N 0 0 406.858 4.168 20 30 HIEDRN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946972 939884004 /nfs/dbraw/zinc/88/40/04/939884004.db2.gz IIMMINDGUFGHKS-CQSZACIVSA-N 0 0 402.429 4.346 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CCOCC4(CC4)C3)cc2Cl)c1 ZINC000542952990 939884677 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424.298 4.375 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCC(=O)COc1ccc(Cl)cc1 ZINC000554801765 942246677 /nfs/dbraw/zinc/24/66/77/942246677.db2.gz ZZXNGMQOQKFJSX-UHFFFAOYSA-N 0 0 406.916 4.038 20 30 HIEDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000554855110 942291389 /nfs/dbraw/zinc/29/13/89/942291389.db2.gz HOVOXTPSLBACQO-INIZCTEOSA-N 0 0 423.366 4.456 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CC[C@H](COC(F)F)C2)cc1OC ZINC000554877821 942304571 /nfs/dbraw/zinc/30/45/71/942304571.db2.gz SGNJMCRTKPUFPE-LBPRGKRZSA-N 0 0 406.267 4.084 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000554903668 942312602 /nfs/dbraw/zinc/31/26/02/942312602.db2.gz JRZDUZIQTMTTLX-NRFANRHFSA-N 0 0 418.428 4.146 20 30 HIEDRN C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCc2ccc(Cl)cc2C1 ZINC000554921047 942320417 /nfs/dbraw/zinc/32/04/17/942320417.db2.gz HJANPQPNQRZCQH-UHFFFAOYSA-N 0 0 410.905 4.364 20 30 HIEDRN C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000554923846 942321196 /nfs/dbraw/zinc/32/11/96/942321196.db2.gz CBDQPRQTRUEBQO-HXUWFJFHSA-N 0 0 418.497 4.156 20 30 HIEDRN C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](CC)CC1 ZINC000554932406 942324194 /nfs/dbraw/zinc/32/41/94/942324194.db2.gz UCRBRJZBYZGRMP-INIZCTEOSA-N 0 0 400.523 4.173 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCCc2ccccc2Cl)CC1 ZINC000554953539 942331461 /nfs/dbraw/zinc/33/14/61/942331461.db2.gz CHOPENNTBSLIBQ-UHFFFAOYSA-N 0 0 424.888 4.131 20 30 HIEDRN COC(=O)c1c(F)cc(NC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC000554964430 942336409 /nfs/dbraw/zinc/33/64/09/942336409.db2.gz CWXLYOSLNPRXCN-AWEZNQCLSA-N 0 0 424.272 4.455 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCOCC12CC2 ZINC000554975661 942339902 /nfs/dbraw/zinc/33/99/02/942339902.db2.gz QEDMTQBIXNDCNG-UHFFFAOYSA-N 0 0 411.527 4.030 20 30 HIEDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000554976992 942340725 /nfs/dbraw/zinc/34/07/25/942340725.db2.gz XZEWXQNLMIMKOD-CYBMUJFWSA-N 0 0 411.449 4.266 20 30 HIEDRN CS(=O)(=O)c1cccc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987575 942344391 /nfs/dbraw/zinc/34/43/91/942344391.db2.gz FNCZNQBFJGRHCO-RPWUZVMVSA-N 0 0 402.519 4.328 20 30 HIEDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000554995192 942347951 /nfs/dbraw/zinc/34/79/51/942347951.db2.gz XGZXACZCMZBQKR-DIFFPNOSSA-N 0 0 406.255 4.358 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N(c1cccc(F)c1)C1CCOCC1 ZINC000554997986 942349362 /nfs/dbraw/zinc/34/93/62/942349362.db2.gz UFIISJZNOKUWRS-UHFFFAOYSA-N 0 0 412.461 4.077 20 30 HIEDRN CN(CCOc1ccccc1F)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000555007880 942353070 /nfs/dbraw/zinc/35/30/70/942353070.db2.gz KRPKRQRGGJZMFD-UHFFFAOYSA-N 0 0 406.417 4.427 20 30 HIEDRN CN(CCC1CCCCC1)C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000555019244 942359046 /nfs/dbraw/zinc/35/90/46/942359046.db2.gz HPYOBQZZVAGKCB-UHFFFAOYSA-N 0 0 406.486 4.113 20 30 HIEDRN COC(=O)c1c(C)c(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1F ZINC000555072820 942376476 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942445131 /nfs/dbraw/zinc/44/51/31/942445131.db2.gz BKILSANMKYPTNP-DYESRHJHSA-N 0 0 414.550 4.178 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000555250623 942445936 /nfs/dbraw/zinc/44/59/36/942445936.db2.gz PATSEDLTNQVRGM-MRXNPFEDSA-N 0 0 421.250 4.332 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000555254516 942448751 /nfs/dbraw/zinc/44/87/51/942448751.db2.gz PZTASWHFRCRADA-HOYKHHGWSA-N 0 0 424.593 4.336 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ncccc2F)CC1 ZINC000555256173 942450056 /nfs/dbraw/zinc/45/00/56/942450056.db2.gz SAWLWGXTPGITEY-UHFFFAOYSA-N 0 0 412.900 4.035 20 30 HIEDRN C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC000555257954 942450937 /nfs/dbraw/zinc/45/09/37/942450937.db2.gz CLVYPFWNIXZLPI-NRFANRHFSA-N 0 0 417.557 4.093 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000555261550 942451238 /nfs/dbraw/zinc/45/12/38/942451238.db2.gz VNXKHLFIMOTSPI-FIKGOQFSSA-N 0 0 402.564 4.054 20 30 HIEDRN C=C(C)Cn1c(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC000555263477 942452322 /nfs/dbraw/zinc/45/23/22/942452322.db2.gz CFFLHMJSFFKPLE-UHFFFAOYSA-N 0 0 414.529 4.081 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC000555263905 942453264 /nfs/dbraw/zinc/45/32/64/942453264.db2.gz LFBHQKXUSCVMRE-LJQANCHMSA-N 0 0 403.530 4.169 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1scnc1C ZINC000555263883 942453567 /nfs/dbraw/zinc/45/35/67/942453567.db2.gz PTJULENAULHHSP-UHFFFAOYSA-N 0 0 403.939 4.488 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC000555264996 942454119 /nfs/dbraw/zinc/45/41/19/942454119.db2.gz ZUNIHHFDVBLKTR-QFIPXVFZSA-N 0 0 413.525 4.436 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](COC)C1 ZINC000555265723 942454386 /nfs/dbraw/zinc/45/43/86/942454386.db2.gz NGMMTDOVPBOHRA-HNNXBMFYSA-N 0 0 405.340 4.147 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000555270752 942457077 /nfs/dbraw/zinc/45/70/77/942457077.db2.gz KRASPXONOXPFLG-LJQANCHMSA-N 0 0 420.355 4.009 20 30 HIEDRN CCc1oncc1NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000555287037 942462590 /nfs/dbraw/zinc/46/25/90/942462590.db2.gz QRTLFORCNZBXAS-INIZCTEOSA-N 0 0 408.845 4.123 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000555290234 942464061 /nfs/dbraw/zinc/46/40/61/942464061.db2.gz ZDQJQVDWDPBVTF-GOSISDBHSA-N 0 0 402.857 4.485 20 30 HIEDRN C=C(C)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000555290670 942464236 /nfs/dbraw/zinc/46/42/36/942464236.db2.gz AOEDYIWNBXTERF-FQEVSTJZSA-N 0 0 424.593 4.399 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC000555290324 942464285 /nfs/dbraw/zinc/46/42/85/942464285.db2.gz AIQYNBVYJZTJJS-SIKLNZKXSA-N 0 0 402.498 4.361 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000555293242 942464913 /nfs/dbraw/zinc/46/49/13/942464913.db2.gz CLRXDVHHCSUKRM-UHFFFAOYSA-N 0 0 416.529 4.312 20 30 HIEDRN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)C ZINC000555363614 942496286 /nfs/dbraw/zinc/49/62/86/942496286.db2.gz JSTFDPUCESZVPO-WMZOPIPTSA-N 0 0 417.941 4.073 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC(c4ccsc4)CC3)n2C[C@H]2CCCO2)c1 ZINC000555373258 942500683 /nfs/dbraw/zinc/50/06/83/942500683.db2.gz MKQRIVOCINRVEQ-OAQYLSRUSA-N 0 0 419.554 4.441 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCOC4(CCCCC4)C3)n2Cc2cccs2)cc1 ZINC000555377090 942502607 /nfs/dbraw/zinc/50/26/07/942502607.db2.gz NBIUECSHOWELOE-UHFFFAOYSA-N 0 0 419.554 4.466 20 30 HIEDRN CCc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CCCO2)cc1 ZINC000555380089 942504216 /nfs/dbraw/zinc/50/42/16/942504216.db2.gz CGTHGBFGNXPRPK-QFIPXVFZSA-N 0 0 401.514 4.195 20 30 HIEDRN C[C@H](C#N)CN(C)c1nnc(C(F)(F)Oc2ccccc2)n1Cc1cccs1 ZINC000555434621 942532054 /nfs/dbraw/zinc/53/20/54/942532054.db2.gz WEQGRKLVGMGEOZ-CQSZACIVSA-N 0 0 403.458 4.112 20 30 HIEDRN Cc1cccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2Cc2cccs2)c1 ZINC000555440786 942543413 /nfs/dbraw/zinc/54/34/13/942543413.db2.gz VDKATTMLMXIDBV-UHFFFAOYSA-N 0 0 407.543 4.405 20 30 HIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCCC3)n1C[C@@H]1CCOC1 ZINC000555447289 942550687 /nfs/dbraw/zinc/55/06/87/942550687.db2.gz UVVRAFXFCBZKGP-IRXDYDNUSA-N 0 0 413.591 4.298 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCSC4(CCCCC4)C3)n2C[C@H]2CCOC2)cc1 ZINC000555447353 942551334 /nfs/dbraw/zinc/55/13/34/942551334.db2.gz WEBMBMDJHIAMKX-LJQANCHMSA-N 0 0 423.586 4.109 20 30 HIEDRN N#CC1CCN(c2nnc(CC34CC5CC(CC(C5)C3)C4)n2C[C@@H]2CCCCO2)CC1 ZINC000555459758 942560740 /nfs/dbraw/zinc/56/07/40/942560740.db2.gz YPCVXKNCNVJFTQ-UQQXROCHSA-N 0 0 423.605 4.346 20 30 HIEDRN C=C(C)CN(CC)C(=O)CS(=O)(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000555471776 942573531 /nfs/dbraw/zinc/57/35/31/942573531.db2.gz RYVCLMKSHFTYOH-NRFANRHFSA-N 0 0 405.947 4.269 20 30 HIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCCO1 ZINC000555482915 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HIEDRN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC000558984901 943787026 /nfs/dbraw/zinc/78/70/26/943787026.db2.gz JFRKFGLOJVNLHI-KRWDZBQOSA-N 0 0 417.517 4.002 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000558987417 943788605 /nfs/dbraw/zinc/78/86/05/943788605.db2.gz ZEWRXARAOXHREF-HXUWFJFHSA-N 0 0 410.543 4.381 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000558992028 943792098 /nfs/dbraw/zinc/79/20/98/943792098.db2.gz QUOOCKCHPDEZHA-JOCHJYFZSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000558992614 943792459 /nfs/dbraw/zinc/79/24/59/943792459.db2.gz DLQCFOXKMXWRLG-UHFFFAOYSA-N 0 0 421.589 4.249 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC000558998080 943795442 /nfs/dbraw/zinc/79/54/42/943795442.db2.gz OTRCKEQNCDQOHX-IBGZPJMESA-N 0 0 403.530 4.027 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 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/nfs/dbraw/zinc/85/66/89/947856689.db2.gz UEEFCESJPLKLBN-UHFFFAOYSA-N 0 0 415.428 4.044 20 30 HIEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCc2cccc(Br)c2C1 ZINC000572206935 947863595 /nfs/dbraw/zinc/86/35/95/947863595.db2.gz KZNCXJPZRPZHAJ-UHFFFAOYSA-N 0 0 410.319 4.160 20 30 HIEDRN N#CCc1ccc(OC[C@@H](O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 ZINC000572259343 947870283 /nfs/dbraw/zinc/87/02/83/947870283.db2.gz ISKMJYPLJKBDQU-LJQANCHMSA-N 0 0 421.493 4.239 20 30 HIEDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)CCOCc3ccc(C#N)cc3)ccc21 ZINC000572400564 947894895 /nfs/dbraw/zinc/89/48/95/947894895.db2.gz PDQXTHIYGSUOLK-UHFFFAOYSA-N 0 0 419.525 4.065 20 30 HIEDRN Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(F)cc1Br ZINC000572442053 947907009 /nfs/dbraw/zinc/90/70/09/947907009.db2.gz HQTALDWLZACCFQ-CYBMUJFWSA-N 0 0 420.257 4.372 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCCc2ccccc2Cl)CC1 ZINC000572447981 947910385 /nfs/dbraw/zinc/91/03/85/947910385.db2.gz HQESBCNQJRQWSS-UHFFFAOYSA-N 0 0 418.928 4.431 20 30 HIEDRN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC000572529158 947933943 /nfs/dbraw/zinc/93/39/43/947933943.db2.gz OMWOZDXEXMGRRL-IBGZPJMESA-N 0 0 402.502 4.070 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000572583659 947952617 /nfs/dbraw/zinc/95/26/17/947952617.db2.gz AXPTXXHABDFPQX-IPMKNSEASA-N 0 0 414.525 4.386 20 30 HIEDRN N#CCC1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@H]2CCCCO2)CC1 ZINC000572621378 947957779 /nfs/dbraw/zinc/95/77/79/947957779.db2.gz RTQKDKPZAXMFFO-FQEVSTJZSA-N 0 0 416.529 4.192 20 30 HIEDRN N#Cc1cccc(-n2ccc(-c3nc(Cc4cc(Br)cs4)no3)n2)c1 ZINC000572645638 947966347 /nfs/dbraw/zinc/96/63/47/947966347.db2.gz VPWWQMDMKQBAGU-UHFFFAOYSA-N 0 0 412.272 4.209 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000572666618 947974278 /nfs/dbraw/zinc/97/42/78/947974278.db2.gz QMYMDEPIYGBAMV-UHFFFAOYSA-N 0 0 408.483 4.915 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2C(F)(F)F)cc1F ZINC000572686678 947986681 /nfs/dbraw/zinc/98/66/81/947986681.db2.gz XIKYKFDJCOVLEG-SFHVURJKSA-N 0 0 419.378 4.408 20 30 HIEDRN Cc1c(Br)cccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000572758114 948002686 /nfs/dbraw/zinc/00/26/86/948002686.db2.gz JQIKVEPRSDGPMT-UHFFFAOYSA-N 0 0 402.292 4.310 20 30 HIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC000572777261 948008888 /nfs/dbraw/zinc/00/88/88/948008888.db2.gz RDZWQMIJEQSRST-OAQYLSRUSA-N 0 0 403.461 4.395 20 30 HIEDRN C=CCn1c(Cn2ccc3ccccc32)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC000572803656 948015733 /nfs/dbraw/zinc/01/57/33/948015733.db2.gz XNRZMTCYRJLLEM-UHFFFAOYSA-N 0 0 403.486 4.252 20 30 HIEDRN C[C@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000572829169 948020412 /nfs/dbraw/zinc/02/04/12/948020412.db2.gz XYCCMMAXDBYOND-HNNXBMFYSA-N 0 0 403.429 4.079 20 30 HIEDRN C[C@H]1Sc2ccc(C(=O)Nc3ccc(C#N)c(Br)c3)cc2NC1=O ZINC000572880322 948028299 /nfs/dbraw/zinc/02/82/99/948028299.db2.gz UCRCLVFGTPUHAI-SECBINFHSA-N 0 0 402.273 4.006 20 30 HIEDRN CC(C)[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCC#N)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000572892357 948031628 /nfs/dbraw/zinc/03/16/28/948031628.db2.gz XXESSVKBXHYVAC-SFHLNBCPSA-N 0 0 417.981 4.250 20 30 HIEDRN N#Cc1c(NC(=O)COc2ccc3cc(Br)ccc3c2)n[nH]c1C1CC1 ZINC000572947917 948047959 /nfs/dbraw/zinc/04/79/59/948047959.db2.gz BWWWWZNNRQMECJ-UHFFFAOYSA-N 0 0 411.259 4.092 20 30 HIEDRN N#Cc1cccc(C2(NCc3noc(Cc4ccc(Br)cc4)n3)CC2)c1 ZINC000572991739 948054069 /nfs/dbraw/zinc/05/40/69/948054069.db2.gz RLYVFWSROZCDPB-UHFFFAOYSA-N 0 0 409.287 4.073 20 30 HIEDRN COc1ccc(CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C2CC2)cc1 ZINC000573013907 948058508 /nfs/dbraw/zinc/05/85/08/948058508.db2.gz KRVBULTUPYZWKL-UWJYYQICSA-N 0 0 421.516 4.360 20 30 HIEDRN Cn1cnc2[nH]c(=O)cc(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)c21 ZINC000573054448 948072987 /nfs/dbraw/zinc/07/29/87/948072987.db2.gz INWVNDJASMABSN-KRWDZBQOSA-N 0 0 417.856 4.235 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)C2)c(F)c1 ZINC000573118494 948081478 /nfs/dbraw/zinc/08/14/78/948081478.db2.gz UCHADZDJYCOPOD-YJBOKZPZSA-N 0 0 423.385 4.473 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000573144508 948088626 /nfs/dbraw/zinc/08/86/26/948088626.db2.gz KEGFFYFPYMMHMW-UHFFFAOYSA-N 0 0 411.889 4.135 20 30 HIEDRN Cc1ccc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000573161098 948095904 /nfs/dbraw/zinc/09/59/04/948095904.db2.gz INSFBMJJNFBHSX-UHFFFAOYSA-N 0 0 407.514 4.014 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000573262279 948130602 /nfs/dbraw/zinc/13/06/02/948130602.db2.gz YGTUVLDZEHIGFF-AWEZNQCLSA-N 0 0 413.266 4.102 20 30 HIEDRN C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(c2ccccc2)CC1 ZINC000573290045 948148150 /nfs/dbraw/zinc/14/81/50/948148150.db2.gz SYDZDOYPEUPRFH-UHFFFAOYSA-N 0 0 412.541 4.253 20 30 HIEDRN CCN(CC(=O)N1CCCCCC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000573394882 948181271 /nfs/dbraw/zinc/18/12/71/948181271.db2.gz KEAPJRQOIBRKGP-UHFFFAOYSA-N 0 0 419.525 4.002 20 30 HIEDRN C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000573408524 948194469 /nfs/dbraw/zinc/19/44/69/948194469.db2.gz BMXWPCRLQIAAMI-NRFANRHFSA-N 0 0 415.497 4.361 20 30 HIEDRN COc1cc(Cl)c(Br)cc1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000573512621 948224355 /nfs/dbraw/zinc/22/43/55/948224355.db2.gz UEPHIMUCKQSTPZ-UHFFFAOYSA-N 0 0 405.679 4.402 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](COC(F)F)C3)cc2F)c1 ZINC000573591375 948244711 /nfs/dbraw/zinc/24/47/11/948244711.db2.gz IWBCVGDJLQVEPQ-MRXNPFEDSA-N 0 0 419.403 4.369 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000573641461 948263153 /nfs/dbraw/zinc/26/31/53/948263153.db2.gz BXDDYILAUIXJRM-UHFFFAOYSA-N 0 0 421.810 4.461 20 30 HIEDRN C[C@H](C#N)CN(C)c1nnc(Cc2ccc3ccccc3c2)n1C[C@@H]1CCCCO1 ZINC000573693225 948273609 /nfs/dbraw/zinc/27/36/09/948273609.db2.gz OTHJGKOABOOXDZ-GCJKJVERSA-N 0 0 403.530 4.187 20 30 HIEDRN Cn1c2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2nc1C1CC1 ZINC000573707298 948277365 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N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1)CC2 ZINC000573888191 948321401 /nfs/dbraw/zinc/32/14/01/948321401.db2.gz MOOJDVHMKYMGDV-IBGZPJMESA-N 0 0 414.292 4.022 20 30 HIEDRN Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1-c1ccc(F)cc1F ZINC000573957607 948334051 /nfs/dbraw/zinc/33/40/51/948334051.db2.gz WOQSZQSVSHZICS-UYAOXDASSA-N 0 0 421.451 4.763 20 30 HIEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000573963646 948336544 /nfs/dbraw/zinc/33/65/44/948336544.db2.gz BBMFVPDFNMBJHH-FQEVSTJZSA-N 0 0 407.562 4.339 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000573975843 948339586 /nfs/dbraw/zinc/33/95/86/948339586.db2.gz YIIDLKVOMVWVKN-SFHVURJKSA-N 0 0 414.497 4.421 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000574069469 948357499 /nfs/dbraw/zinc/35/74/99/948357499.db2.gz OEDPOQJMUQNRAM-FGZHOGPDSA-N 0 0 408.546 4.051 20 30 HIEDRN CCOc1ccc(O[C@@H](C)c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C)cc1 ZINC000574083719 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O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000041216277 848206097 /nfs/dbraw/zinc/20/60/97/848206097.db2.gz DHMDPUNUQNQZDZ-QFIPXVFZSA-N 0 0 400.503 4.354 20 30 HIEDRN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(S(C)(=O)=O)ccc3C)n2)cc1 ZINC000041513615 848224460 /nfs/dbraw/zinc/22/44/60/848224460.db2.gz WOVGTTBQDVFUCB-GOSISDBHSA-N 0 0 410.520 4.321 20 30 HIEDRN CCOC(=O)c1cc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)ccc2[nH]1 ZINC000041552749 848230789 /nfs/dbraw/zinc/23/07/89/848230789.db2.gz GWTNDTYFWYRFAZ-AWEZNQCLSA-N 0 0 401.344 4.248 20 30 HIEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 ZINC000041558497 848232436 /nfs/dbraw/zinc/23/24/36/848232436.db2.gz PPJQHNDNLGQHOW-UHFFFAOYSA-N 0 0 405.841 4.259 20 30 HIEDRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000042019510 848273884 /nfs/dbraw/zinc/27/38/84/848273884.db2.gz CUARSYRCOKXYMG-ZDUSSCGKSA-N 0 0 419.403 4.182 20 30 HIEDRN C[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1ccc(C#N)cc1 ZINC000042099879 848286585 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Cc1ccc(-n2nc(C(=O)NCCSCc3ccccc3C#N)c3c2CCC3)cc1 ZINC000043773942 848463630 /nfs/dbraw/zinc/46/36/30/848463630.db2.gz NHFWIKIXSYWETE-UHFFFAOYSA-N 0 0 416.550 4.204 20 30 HIEDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000044212570 848532493 /nfs/dbraw/zinc/53/24/93/848532493.db2.gz XXJFPZVSYXCIHG-QZTJIDSGSA-N 0 0 404.514 4.340 20 30 HIEDRN C=CCn1c(SCc2noc(-c3ccccc3O)n2)nnc1-c1ccc(C)cc1 ZINC000436731646 861917217 /nfs/dbraw/zinc/91/72/17/861917217.db2.gz QHEJFZNUHUNCNV-UHFFFAOYSA-N 0 0 405.483 4.487 20 30 HIEDRN N#Cc1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1OCC(F)(F)F ZINC000044551833 848569345 /nfs/dbraw/zinc/56/93/45/848569345.db2.gz BZHWXRMKCFLRHH-UHFFFAOYSA-N 0 0 404.392 4.137 20 30 HIEDRN COc1ccc(OC(F)F)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000044588478 848576150 /nfs/dbraw/zinc/57/61/50/848576150.db2.gz GSDUFDMDUVNQHU-UHFFFAOYSA-N 0 0 407.442 4.219 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000044634499 848584847 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CCC[C@@]1(C)CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000437378190 862687542 /nfs/dbraw/zinc/68/75/42/862687542.db2.gz REURCRKTYIYSRJ-QHCPKHFHSA-N 0 0 410.518 4.451 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(C#N)cc1 ZINC000409506136 855514389 /nfs/dbraw/zinc/51/43/89/855514389.db2.gz YARJWPMDKHIRIP-UHFFFAOYSA-N 0 0 402.267 4.358 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000409523384 855522589 /nfs/dbraw/zinc/52/25/89/855522589.db2.gz SWVUFESZBVCPAG-QGZVFWFLSA-N 0 0 421.314 4.097 20 30 HIEDRN CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409557155 855540134 /nfs/dbraw/zinc/54/01/34/855540134.db2.gz KSOTYHOCMWQCDQ-ZDUSSCGKSA-N 0 0 412.433 4.357 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000437381980 862691688 /nfs/dbraw/zinc/69/16/88/862691688.db2.gz SNDZNQSKPIOQBE-OAHLLOKOSA-N 0 0 424.526 4.254 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409569658 855545039 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4.263 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1SCC(=O)Nc1ccc(C)cc1 ZINC000437493917 862851332 /nfs/dbraw/zinc/85/13/32/862851332.db2.gz GORGGROJQARONI-JPYJTQIMSA-N 0 0 424.566 4.437 20 30 HIEDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)cc1 ZINC000427761761 856943226 /nfs/dbraw/zinc/94/32/26/856943226.db2.gz FZVIVLNXOUSFMV-WMLDXEAASA-N 0 0 415.415 4.229 20 30 HIEDRN CC(C)n1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437499855 862854369 /nfs/dbraw/zinc/85/43/69/862854369.db2.gz KXCKIRJORUZRTA-UHFFFAOYSA-N 0 0 411.462 4.393 20 30 HIEDRN C[C@]1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CCCNC1=O ZINC000427826270 856972368 /nfs/dbraw/zinc/97/23/68/856972368.db2.gz NLLPJVRMICSFLU-FQEVSTJZSA-N 0 0 417.387 4.224 20 30 HIEDRN COc1ccc(O[C@H](C)CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000437505323 862857278 /nfs/dbraw/zinc/85/72/78/862857278.db2.gz DXNAITWDOUCJDD-OAHLLOKOSA-N 0 0 422.510 4.203 20 30 HIEDRN C=CCC[C@H](C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1 ZINC000427930600 857012128 /nfs/dbraw/zinc/01/21/28/857012128.db2.gz BEQYWGXNUGYMCJ-RTWAWAEBSA-N 0 0 404.489 4.265 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000437517116 862863164 /nfs/dbraw/zinc/86/31/64/862863164.db2.gz JOAUGCYEMGCRRP-KOSHJBKYSA-N 0 0 417.509 4.259 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000437521353 862865253 /nfs/dbraw/zinc/86/52/53/862865253.db2.gz SWNWJPBLNMMFPB-KUHUBIRLSA-N 0 0 420.303 4.332 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000428048305 857055250 /nfs/dbraw/zinc/05/52/50/857055250.db2.gz IIHCTCPQCSIUQE-OAHLLOKOSA-N 0 0 403.276 4.475 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000428052712 857057345 /nfs/dbraw/zinc/05/73/45/857057345.db2.gz ZUXCRHIALMVVJW-CQSZACIVSA-N 0 0 417.600 4.466 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000428057552 857058433 /nfs/dbraw/zinc/05/84/33/857058433.db2.gz ONCHIHOVGWNGCZ-UHFFFAOYSA-N 0 0 405.523 4.208 20 30 HIEDRN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000428176036 857097272 /nfs/dbraw/zinc/09/72/72/857097272.db2.gz KNJBJZMSOOLJPD-NHCUHLMSSA-N 0 0 423.538 4.470 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000428176034 857097676 /nfs/dbraw/zinc/09/76/76/857097676.db2.gz KNJBJZMSOOLJPD-LEWJYISDSA-N 0 0 423.538 4.470 20 30 HIEDRN CCOc1ccc([C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1OC ZINC000428220338 857116185 /nfs/dbraw/zinc/11/61/85/857116185.db2.gz QZDOEJHBFUZXHK-KRWDZBQOSA-N 0 0 418.497 4.362 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc1 ZINC000428219635 857116262 /nfs/dbraw/zinc/11/62/62/857116262.db2.gz FPBWIKMCEMFIIJ-UHFFFAOYSA-N 0 0 413.412 4.314 20 30 HIEDRN CN(Cc1cccc(Br)c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428304770 857146742 /nfs/dbraw/zinc/14/67/42/857146742.db2.gz YYMDOSYPNBXXQS-UHFFFAOYSA-N 0 0 423.314 4.498 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCc2nc3ccccc3s2)c1-c1ccccc1 ZINC000428336185 857159161 /nfs/dbraw/zinc/15/91/61/857159161.db2.gz BQEOIEQLKARZAW-UHFFFAOYSA-N 0 0 401.495 4.046 20 30 HIEDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000428339541 857161035 /nfs/dbraw/zinc/16/10/35/857161035.db2.gz DKQFTWNZXDLRFV-UHFFFAOYSA-N 0 0 415.453 4.377 20 30 HIEDRN Cc1cc(C(=O)N2CCC(c3ncccc3Cl)CC2)nn1-c1cccc(C#N)c1 ZINC000428417747 857198383 /nfs/dbraw/zinc/19/83/83/857198383.db2.gz DOGSGQCRVHIJDJ-UHFFFAOYSA-N 0 0 405.889 4.121 20 30 HIEDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000437554512 862882702 /nfs/dbraw/zinc/88/27/02/862882702.db2.gz DHVFPPZXCQSSFY-UHFFFAOYSA-N 0 0 413.437 4.087 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cnccc2-c2ccccc2)cc1 ZINC000428458709 857209390 /nfs/dbraw/zinc/20/93/90/857209390.db2.gz IPJMQCCXFKONHZ-UHFFFAOYSA-N 0 0 405.479 4.078 20 30 HIEDRN O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000428479847 857219279 /nfs/dbraw/zinc/21/92/79/857219279.db2.gz KVSUROVGFKSLHH-SNVBAGLBSA-N 0 0 422.291 4.225 20 30 HIEDRN C=CCn1c(SCC(=O)N2CC[C@@H]3CCC[C@H]32)nnc1-c1ccc(Cl)cc1 ZINC000428531670 857245520 /nfs/dbraw/zinc/24/55/20/857245520.db2.gz GAMRIVJPDICHSJ-WMLDXEAASA-N 0 0 402.951 4.278 20 30 HIEDRN C=CCn1c(SCC(=O)N2CC[C@H]3CCC[C@@H]32)nnc1-c1ccc(Cl)cc1 ZINC000428531668 857245990 /nfs/dbraw/zinc/24/59/90/857245990.db2.gz GAMRIVJPDICHSJ-PBHICJAKSA-N 0 0 402.951 4.278 20 30 HIEDRN N#Cc1csc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 ZINC000437568708 862889871 /nfs/dbraw/zinc/88/98/71/862889871.db2.gz OYRFTRGMIRWXGO-LJQANCHMSA-N 0 0 405.454 4.359 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000428564477 857267579 /nfs/dbraw/zinc/26/75/79/857267579.db2.gz FUNRBBQZQNPJDI-RUZDIDTESA-N 0 0 414.530 4.486 20 30 HIEDRN CC(C)COc1ccc(CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428705159 857303508 /nfs/dbraw/zinc/30/35/08/857303508.db2.gz DNUPVMPFCMIKQZ-UHFFFAOYSA-N 0 0 416.525 4.471 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nc2ccccc2n1C ZINC000428759200 857322377 /nfs/dbraw/zinc/32/23/77/857322377.db2.gz OIGLIJOMHADRJN-HNNXBMFYSA-N 0 0 421.570 4.234 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc4c(c3)C(=O)CCC4)C2)c(F)c1 ZINC000428787305 857338789 /nfs/dbraw/zinc/33/87/89/857338789.db2.gz XWSZGWGAZHDNTP-SFHVURJKSA-N 0 0 406.461 4.007 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccc(Br)c1F)c1cccc(Br)c1 ZINC000428791017 857341751 /nfs/dbraw/zinc/34/17/51/857341751.db2.gz RTAMFZQLANDHKC-CYBMUJFWSA-N 0 0 412.056 4.345 20 30 HIEDRN CCC(C)(C)OCc1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000428797101 857345664 /nfs/dbraw/zinc/34/56/64/857345664.db2.gz AXQFBNGORNRFEY-UHFFFAOYSA-N 0 0 421.545 4.321 20 30 HIEDRN N#C[C@H](NC(=O)c1cnc(OCc2ccccc2)cn1)c1cccc(C(F)(F)F)c1 ZINC000428797783 857346450 /nfs/dbraw/zinc/34/64/50/857346450.db2.gz FEMBCBUDTNIRMF-KRWDZBQOSA-N 0 0 412.371 4.069 20 30 HIEDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCOCC(F)(F)C(F)F ZINC000428818670 857359151 /nfs/dbraw/zinc/35/91/51/857359151.db2.gz PQXLOTPNUGADAF-RISCZKNCSA-N 0 0 403.338 4.384 20 30 HIEDRN CCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 ZINC000428861370 857376134 /nfs/dbraw/zinc/37/61/34/857376134.db2.gz PSRXLNAZFGBQLY-UHFFFAOYSA-N 0 0 401.488 4.040 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1nc(Cc2ccccc2)no1 ZINC000428874011 857380573 /nfs/dbraw/zinc/38/05/73/857380573.db2.gz XKQCZBCEMPOIHB-GFCCVEGCSA-N 0 0 415.375 4.434 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000428882949 857387693 /nfs/dbraw/zinc/38/76/93/857387693.db2.gz OVMGSVQQKPDFRA-YVORESIASA-N 0 0 401.557 4.340 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000428890601 857394661 /nfs/dbraw/zinc/39/46/61/857394661.db2.gz VCXMEXHKYRDUIA-YVORESIASA-N 0 0 401.557 4.482 20 30 HIEDRN N#CCC[C@H](NC(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1 ZINC000428975510 857441476 /nfs/dbraw/zinc/44/14/76/857441476.db2.gz JVKKHJOTNJAAIN-ZDXQCDESSA-N 0 0 409.505 4.244 20 30 HIEDRN C=C(C)[C@H](NC(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000428992212 857447358 /nfs/dbraw/zinc/44/73/58/857447358.db2.gz JQZJSBOZZRANRK-PIPMEXSNSA-N 0 0 404.432 4.187 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1-c1ccccc1 ZINC000429036017 857469149 /nfs/dbraw/zinc/46/91/49/857469149.db2.gz OQBHWRPWHUSTGI-UHFFFAOYSA-N 0 0 412.493 4.172 20 30 HIEDRN COC1CCC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000429048078 857476486 /nfs/dbraw/zinc/47/64/86/857476486.db2.gz YEJPFIIFNHZSOJ-UHFFFAOYSA-N 0 0 406.486 4.137 20 30 HIEDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429077449 857496769 /nfs/dbraw/zinc/49/67/69/857496769.db2.gz KVMDNTOGDFNUSG-ZHRRBRCNSA-N 0 0 406.461 4.109 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1-c1ccccc1 ZINC000429082458 857500124 /nfs/dbraw/zinc/50/01/24/857500124.db2.gz RWHIVRYPCUWGMA-RBBKRZOGSA-N 0 0 418.472 4.253 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1-c1ccccc1 ZINC000429091039 857504420 /nfs/dbraw/zinc/50/44/20/857504420.db2.gz NQWGPYHDWPKMSE-IRLDBZIGSA-N 0 0 422.435 4.002 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1-c1ccccc1 ZINC000429089401 857504483 /nfs/dbraw/zinc/50/44/83/857504483.db2.gz GCQFMDUQFKGEEI-RBBKRZOGSA-N 0 0 400.482 4.114 20 30 HIEDRN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429132874 857526203 /nfs/dbraw/zinc/52/62/03/857526203.db2.gz XKBAMEOJKSGBPE-CQSZACIVSA-N 0 0 411.868 4.111 20 30 HIEDRN N#Cc1ccc(CN(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C2CC2)cc1 ZINC000429152286 857533389 /nfs/dbraw/zinc/53/33/89/857533389.db2.gz ACXUKQHIUQCGDR-NOZRDPDXSA-N 0 0 421.516 4.145 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429173967 857541809 /nfs/dbraw/zinc/54/18/09/857541809.db2.gz OTCTYBHLYAWEEA-ILBGXUMGSA-N 0 0 421.516 4.169 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC)[C@H](C)Cc2ccsc2)cc1 ZINC000429187263 857545569 /nfs/dbraw/zinc/54/55/69/857545569.db2.gz WJXHWGNOEKGERQ-MRXNPFEDSA-N 0 0 421.588 4.040 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000429205622 857553715 /nfs/dbraw/zinc/55/37/15/857553715.db2.gz RQTZIYXBVKVSCV-UHFFFAOYSA-N 0 0 420.513 4.247 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CN1CCC(c2ncccc2Cl)CC1 ZINC000429219093 857560840 /nfs/dbraw/zinc/56/08/40/857560840.db2.gz XDNNIRUHNZFVAM-UHFFFAOYSA-N 0 0 400.935 4.169 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1C#N ZINC000429234110 857566547 /nfs/dbraw/zinc/56/65/47/857566547.db2.gz XVWPBKVRZZRRGS-UHFFFAOYSA-N 0 0 423.517 4.463 20 30 HIEDRN CC[C@@]1(CO)CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000429355706 857618423 /nfs/dbraw/zinc/61/84/23/857618423.db2.gz IHBOQQKTXCAHIC-HSZRJFAPSA-N 0 0 409.486 4.376 20 30 HIEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000429358374 857619471 /nfs/dbraw/zinc/61/94/71/857619471.db2.gz TUNPTBYNCASUFU-SFHVURJKSA-N 0 0 407.392 4.436 20 30 HIEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000429358373 857619522 /nfs/dbraw/zinc/61/95/22/857619522.db2.gz TUNPTBYNCASUFU-GOSISDBHSA-N 0 0 407.392 4.436 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000429369272 857626472 /nfs/dbraw/zinc/62/64/72/857626472.db2.gz XUESQOXXKDGVCH-SFHVURJKSA-N 0 0 417.513 4.461 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000429376660 857631591 /nfs/dbraw/zinc/63/15/91/857631591.db2.gz GZPVSOOZDIUDNP-MRXNPFEDSA-N 0 0 421.457 4.027 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000437618050 862934371 /nfs/dbraw/zinc/93/43/71/862934371.db2.gz YDGLPGXHOLAXKA-OAQYLSRUSA-N 0 0 411.502 4.095 20 30 HIEDRN CC[C@@]1(CO)CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000429434538 857666063 /nfs/dbraw/zinc/66/60/63/857666063.db2.gz XNQARSJORYAQSM-HSZRJFAPSA-N 0 0 411.477 4.293 20 30 HIEDRN N#Cc1cccc(CNC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1 ZINC000429499577 857699404 /nfs/dbraw/zinc/69/94/04/857699404.db2.gz AUUJTXXOVMPSMJ-UHFFFAOYSA-N 0 0 400.269 4.432 20 30 HIEDRN COCCN(C(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(C#N)cc1 ZINC000429542877 857734796 /nfs/dbraw/zinc/73/47/96/857734796.db2.gz RLXLWLZGTBRCEM-UHFFFAOYSA-N 0 0 412.287 4.024 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4noc(CC(C)(C)C)n4)cc3)nc21 ZINC000429573106 857757732 /nfs/dbraw/zinc/75/77/32/857757732.db2.gz KMWAVIJDUMKTIO-MRXNPFEDSA-N 0 0 414.469 4.395 20 30 HIEDRN C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000429578886 857764359 /nfs/dbraw/zinc/76/43/59/857764359.db2.gz OXLKGESMTRTFET-AWEZNQCLSA-N 0 0 424.302 4.448 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(Cl)c1 ZINC000429626497 857805656 /nfs/dbraw/zinc/80/56/56/857805656.db2.gz XWFYNVUYTXAQJJ-TZIWHRDSSA-N 0 0 401.869 4.246 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCc2c[nH]c3cc(F)ccc23)c1-c1ccccc1 ZINC000429667254 857826829 /nfs/dbraw/zinc/82/68/29/857826829.db2.gz JOEHNTFWHYDUJC-UHFFFAOYSA-N 0 0 401.445 4.057 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000437631995 862956379 /nfs/dbraw/zinc/95/63/79/862956379.db2.gz TYKMUIDQHSLFLR-YJBOKZPZSA-N 0 0 400.441 4.273 20 30 HIEDRN Cc1noc(C[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)c2ccccc2)n1 ZINC000429734266 857857078 /nfs/dbraw/zinc/85/70/78/857857078.db2.gz ALQUBTYYAMTJNG-HSZRJFAPSA-N 0 0 423.476 4.278 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429757353 857874137 /nfs/dbraw/zinc/87/41/37/857874137.db2.gz GJLVCQRLVMLGBI-LDJQZATESA-N 0 0 413.518 4.365 20 30 HIEDRN CC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(SCC#N)c1 ZINC000429785853 857884817 /nfs/dbraw/zinc/88/48/17/857884817.db2.gz DJPUHDXRQFWFBZ-UHFFFAOYSA-N 0 0 404.289 4.275 20 30 HIEDRN Cc1c(NC(=O)c2cccc(SCC#N)c2)cccc1C(=O)N1CCSCC1 ZINC000429802162 857889624 /nfs/dbraw/zinc/88/96/24/857889624.db2.gz JLFRZVRYRMFEHY-UHFFFAOYSA-N 0 0 411.552 4.052 20 30 HIEDRN N#CCSc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000429820697 857897530 /nfs/dbraw/zinc/89/75/30/857897530.db2.gz MBEPIUCCMMBLIL-UHFFFAOYSA-N 0 0 400.931 4.434 20 30 HIEDRN N#CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)c1ccccc1 ZINC000429856286 857912297 /nfs/dbraw/zinc/91/22/97/857912297.db2.gz HDPKHGNTSXUQGF-HNNXBMFYSA-N 0 0 413.724 4.426 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(CC(F)(F)F)C2CCC2)nnc1-c1ccco1 ZINC000429857796 857914113 /nfs/dbraw/zinc/91/41/13/857914113.db2.gz CLWRSRJLVTXVGR-UHFFFAOYSA-N 0 0 414.453 4.150 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1 ZINC000429873917 857921542 /nfs/dbraw/zinc/92/15/42/857921542.db2.gz SEXMESJTPDCVIV-UHFFFAOYSA-N 0 0 401.491 4.485 20 30 HIEDRN Cn1nc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F ZINC000429981427 857982975 /nfs/dbraw/zinc/98/29/75/857982975.db2.gz XYSMNDBHLNYGTG-UHFFFAOYSA-N 0 0 418.244 4.703 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cnccc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000429993643 857988492 /nfs/dbraw/zinc/98/84/92/857988492.db2.gz RIUJCPQYFUVTNW-NRFANRHFSA-N 0 0 407.420 4.399 20 30 HIEDRN Cn1cc(CNc2ccc(Cl)c(CN3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000430091083 858027448 /nfs/dbraw/zinc/02/74/48/858027448.db2.gz VJBFTBUPXHQAQJ-UHFFFAOYSA-N 0 0 421.932 4.056 20 30 HIEDRN Cc1cc(Br)cnc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000430107316 858034088 /nfs/dbraw/zinc/03/40/88/858034088.db2.gz WSBABOVVAPJQNN-UHFFFAOYSA-N 0 0 405.321 4.075 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000430115134 858038053 /nfs/dbraw/zinc/03/80/53/858038053.db2.gz FOUMYYLLBLLTDH-ILBGXUMGSA-N 0 0 400.453 4.260 20 30 HIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000437647193 862979440 /nfs/dbraw/zinc/97/94/40/862979440.db2.gz RBGXYSVFJMXCSU-FQEVSTJZSA-N 0 0 422.934 4.308 20 30 HIEDRN O=C(NCC#Cc1ccccc1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430175239 858066680 /nfs/dbraw/zinc/06/66/80/858066680.db2.gz BWCQAEMOMJOLKY-QAQDUYKDSA-N 0 0 401.279 4.185 20 30 HIEDRN O=C(NCC#Cc1ccccc1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430185065 858071498 /nfs/dbraw/zinc/07/14/98/858071498.db2.gz IFQSPLKEDSOKTL-IBGZPJMESA-N 0 0 401.279 4.486 20 30 HIEDRN N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCc4ccc(-c5ccccc5)cc43)CC2)c1 ZINC000430194870 858076425 /nfs/dbraw/zinc/07/64/25/858076425.db2.gz YBHNNDMUYGCYSB-XMMPIXPASA-N 0 0 423.520 4.139 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H]2CC23CCCC3)nnc1-c1ccc(Cl)cc1 ZINC000430227682 858089586 /nfs/dbraw/zinc/08/95/86/858089586.db2.gz PBRKTTFKTRZLNP-INIZCTEOSA-N 0 0 402.951 4.326 20 30 HIEDRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1Cl ZINC000430359042 858132944 /nfs/dbraw/zinc/13/29/44/858132944.db2.gz MJANZCPVXYMVOS-FQEVSTJZSA-N 0 0 408.889 4.015 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000430466472 858180401 /nfs/dbraw/zinc/18/04/01/858180401.db2.gz JEMLMKSCWVUTRH-ZCYQVOJMSA-N 0 0 424.516 4.137 20 30 HIEDRN N#CCSc1cccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000430608856 858236118 /nfs/dbraw/zinc/23/61/18/858236118.db2.gz GJGWUYUUUMSNJP-UHFFFAOYSA-N 0 0 415.824 4.178 20 30 HIEDRN N#Cc1cccc(NC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1 ZINC000437663767 863005011 /nfs/dbraw/zinc/00/50/11/863005011.db2.gz BTVCREOFDURSMS-UHFFFAOYSA-N 0 0 410.275 4.404 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000430696371 858272084 /nfs/dbraw/zinc/27/20/84/858272084.db2.gz BOMHEXODMOAJBN-HNNXBMFYSA-N 0 0 421.444 4.210 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000430720366 858278095 /nfs/dbraw/zinc/27/80/95/858278095.db2.gz JEVDOMLLAJMCKK-FCHUYYIVSA-N 0 0 416.550 4.345 20 30 HIEDRN COc1cc(CNC(=O)c2cccc(SCC#N)c2)ccc1OCc1cccnc1 ZINC000430726240 858279867 /nfs/dbraw/zinc/27/98/67/858279867.db2.gz USKCRMHEOZJGFH-UHFFFAOYSA-N 0 0 419.506 4.215 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000430742870 858284423 /nfs/dbraw/zinc/28/44/23/858284423.db2.gz PPPZDBSZEIWMGQ-UHFFFAOYSA-N 0 0 403.463 4.446 20 30 HIEDRN N#CCSc1cccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC000430758386 858291473 /nfs/dbraw/zinc/29/14/73/858291473.db2.gz AHDMFFACOHPTFB-GOSISDBHSA-N 0 0 417.328 4.278 20 30 HIEDRN C=CCN1C(=O)N(CC#Cc2cccc(C(F)(F)F)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430785164 858305345 /nfs/dbraw/zinc/30/53/45/858305345.db2.gz KKYICWKCCFMTLZ-FQEVSTJZSA-N 0 0 412.411 4.118 20 30 HIEDRN C[C@H]1CN(C(=O)c2ccc(C#N)s2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430811573 858313244 /nfs/dbraw/zinc/31/32/44/858313244.db2.gz QGLBTGBOIRKASF-INIZCTEOSA-N 0 0 401.491 4.449 20 30 HIEDRN CCN(C(=O)c1cc(C#N)cs1)c1cccc(NC(=O)c2cc(C#N)cs2)c1 ZINC000437672414 863015042 /nfs/dbraw/zinc/01/50/42/863015042.db2.gz JUGQJCHLNSBDNZ-UHFFFAOYSA-N 0 0 406.492 4.472 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 ZINC000430947126 858378811 /nfs/dbraw/zinc/37/88/11/858378811.db2.gz ZDXYCWASJIAESE-UHFFFAOYSA-N 0 0 414.490 4.152 20 30 HIEDRN C=CCN1C(=O)N(CCc2csc(-c3ccccc3)n2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430961090 858383095 /nfs/dbraw/zinc/38/30/95/858383095.db2.gz MGYJVUZKJGDJOK-NRFANRHFSA-N 0 0 417.534 4.414 20 30 HIEDRN N#CCC1(CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)CC1 ZINC000431147461 858470532 /nfs/dbraw/zinc/47/05/32/858470532.db2.gz BUYSRVAKCCQIJH-UHFFFAOYSA-N 0 0 418.206 4.017 20 30 HIEDRN N#CCC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc3ccccc3c2)CC1 ZINC000431148582 858471133 /nfs/dbraw/zinc/47/11/33/858471133.db2.gz YMTLMAHJJMXOBH-MZYLBHOOSA-N 0 0 415.537 4.423 20 30 HIEDRN N#CCC1(CNC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000431154310 858473817 /nfs/dbraw/zinc/47/38/17/858473817.db2.gz YJDBSKKGNRQPEC-UHFFFAOYSA-N 0 0 424.551 4.107 20 30 HIEDRN N#Cc1csc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000437690433 863028460 /nfs/dbraw/zinc/02/84/60/863028460.db2.gz GDSLJYJQEHHBOF-UHFFFAOYSA-N 0 0 408.310 4.417 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1noc(Cc2ccccc2)n1 ZINC000431174407 858486880 /nfs/dbraw/zinc/48/68/80/858486880.db2.gz CAENZEYXEHRSKK-GFCCVEGCSA-N 0 0 415.375 4.434 20 30 HIEDRN Cc1c(NC(=O)CSc2ccc(C#N)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431185023 858494290 /nfs/dbraw/zinc/49/42/90/858494290.db2.gz XMXDKLWGQUWFNW-UHFFFAOYSA-N 0 0 406.261 4.268 20 30 HIEDRN COCCn1nc(C)c(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1C ZINC000431215036 858509222 /nfs/dbraw/zinc/50/92/22/858509222.db2.gz ZNFFJSORXUIILF-UHFFFAOYSA-N 0 0 405.458 4.454 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000431284821 858546148 /nfs/dbraw/zinc/54/61/48/858546148.db2.gz RJESPRXTGXYUIY-QGZVFWFLSA-N 0 0 406.408 4.214 20 30 HIEDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000431319051 858562076 /nfs/dbraw/zinc/56/20/76/858562076.db2.gz NQLNLXKIBGTCDQ-UWJYYQICSA-N 0 0 413.543 4.276 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000431324908 858565381 /nfs/dbraw/zinc/56/53/81/858565381.db2.gz YMVCGNRESJBQHH-INIZCTEOSA-N 0 0 423.460 4.422 20 30 HIEDRN Cc1cc(C)cc([C@@H]2NC(=O)N(C3CCC(Oc4ccccc4C#N)CC3)C2=O)c1 ZINC000431330166 858568552 /nfs/dbraw/zinc/56/85/52/858568552.db2.gz ALQWVCHZSUSKRK-AOMIVXANSA-N 0 0 403.482 4.158 20 30 HIEDRN COc1cccc2c1[C@@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 ZINC000431350462 858574948 /nfs/dbraw/zinc/57/49/48/858574948.db2.gz NZIACBCWFDBGOF-NRFANRHFSA-N 0 0 411.461 4.488 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCCOc1ncccc1C(F)(F)F)c1ccccc1 ZINC000431427967 858610171 /nfs/dbraw/zinc/61/01/71/858610171.db2.gz BCFPAFZSLXYFDM-QGZVFWFLSA-N 0 0 406.408 4.214 20 30 HIEDRN C=C(C)[C@H](NC(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccc(F)c(F)c1 ZINC000431463981 858629337 /nfs/dbraw/zinc/62/93/37/858629337.db2.gz HXJBKOFQJFUIKB-BONVTDFDSA-N 0 0 411.250 4.195 20 30 HIEDRN COC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)o1 ZINC000431468559 858631598 /nfs/dbraw/zinc/63/15/98/858631598.db2.gz FSROOAFYVHEHTQ-UHFFFAOYSA-N 0 0 410.813 4.423 20 30 HIEDRN CC1(C)C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21 ZINC000431495338 858643515 /nfs/dbraw/zinc/64/35/15/858643515.db2.gz PLYTYSNQLRUYHP-KRWDZBQOSA-N 0 0 401.388 4.054 20 30 HIEDRN N#CCc1ccc(NC(=O)[C@@](N)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC000431510484 858649876 /nfs/dbraw/zinc/64/98/76/858649876.db2.gz SSMAGPZUWHMWNE-INIZCTEOSA-N 0 0 401.310 4.126 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(-n3ccnc3C)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431520394 858654897 /nfs/dbraw/zinc/65/48/97/858654897.db2.gz OSULUIGAPXVJQZ-MBSDFSHPSA-N 0 0 414.509 4.303 20 30 HIEDRN Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000431566709 858672310 /nfs/dbraw/zinc/67/23/10/858672310.db2.gz VJUDNDXLEBFSRB-UHFFFAOYSA-N 0 0 404.282 4.397 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2ncc(C#N)cc2Cl)nc1-c1ccccc1 ZINC000431579450 858676359 /nfs/dbraw/zinc/67/63/59/858676359.db2.gz OWOSEEFVDHWXOF-UHFFFAOYSA-N 0 0 412.858 4.159 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccccc1 ZINC000431616905 858691866 /nfs/dbraw/zinc/69/18/66/858691866.db2.gz KEHGXBVMXWDIIY-QGZVFWFLSA-N 0 0 407.417 4.291 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000431628933 858699394 /nfs/dbraw/zinc/69/93/94/858699394.db2.gz UPEOAQCJKZXHFQ-MRXNPFEDSA-N 0 0 411.296 4.302 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000431631336 858700044 /nfs/dbraw/zinc/70/00/44/858700044.db2.gz QLJFUSCOQCKTPB-GOSISDBHSA-N 0 0 418.316 4.034 20 30 HIEDRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431634572 858702276 /nfs/dbraw/zinc/70/22/76/858702276.db2.gz HHXSOLQPXCAKHD-MRXNPFEDSA-N 0 0 423.332 4.171 20 30 HIEDRN CCOc1ccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1OCC ZINC000431634541 858702832 /nfs/dbraw/zinc/70/28/32/858702832.db2.gz HEINNFNGOGKARL-LJQANCHMSA-N 0 0 402.516 4.197 20 30 HIEDRN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000431638372 858704403 /nfs/dbraw/zinc/70/44/03/858704403.db2.gz UXEDWOKMSIIZSO-KRWDZBQOSA-N 0 0 407.879 4.270 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)cc1 ZINC000431657841 858718201 /nfs/dbraw/zinc/71/82/01/858718201.db2.gz LJDALZZPVCSFBO-UHFFFAOYSA-N 0 0 407.392 4.116 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000431752545 858788163 /nfs/dbraw/zinc/78/81/63/858788163.db2.gz SVDXQZIVZICNGY-UHFFFAOYSA-N 0 0 415.415 4.062 20 30 HIEDRN Cc1ccc(CN(CCO)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)o1 ZINC000431880095 858852935 /nfs/dbraw/zinc/85/29/35/858852935.db2.gz GHAYHBCJHMESDQ-UHFFFAOYSA-N 0 0 419.481 4.260 20 30 HIEDRN COc1cccc(N2CC[C@@H](CNC(=O)N[C@H](CCCC#N)c3ccccc3)C2)c1 ZINC000431903768 858863420 /nfs/dbraw/zinc/86/34/20/858863420.db2.gz VOGVBLXDEQVLCF-WMZHIEFXSA-N 0 0 406.530 4.256 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@](C)(OC)CC3)c2)c1 ZINC000431903489 858863653 /nfs/dbraw/zinc/86/36/53/858863653.db2.gz OVSAKHBKGQJSAC-VWLOTQADSA-N 0 0 420.509 4.296 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431908556 858865189 /nfs/dbraw/zinc/86/51/89/858865189.db2.gz DBAOPMJEKFZUCZ-JOCHJYFZSA-N 0 0 409.486 4.201 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431916830 858869423 /nfs/dbraw/zinc/86/94/23/858869423.db2.gz QEHHQRHOTICWHX-NRFANRHFSA-N 0 0 413.449 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ZINC000431983413 858903590 /nfs/dbraw/zinc/90/35/90/858903590.db2.gz ACBVJOZAJBWLAO-UHFFFAOYSA-N 0 0 401.304 4.219 20 30 HIEDRN CCN(C(=O)C(=O)Nc1cccc(C#N)c1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000431991923 858909175 /nfs/dbraw/zinc/90/91/75/858909175.db2.gz MJTYPRILBAYNIW-CQSZACIVSA-N 0 0 403.404 4.434 20 30 HIEDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000432005279 858920208 /nfs/dbraw/zinc/92/02/08/858920208.db2.gz CZVFGYICRVNFBV-UHFFFAOYSA-N 0 0 416.481 4.247 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c(OC)c1 ZINC000432013027 858926533 /nfs/dbraw/zinc/92/65/33/858926533.db2.gz PAYLJSRNTISKHR-QGZVFWFLSA-N 0 0 405.498 4.174 20 30 HIEDRN N#Cc1cscc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000432040714 858946117 /nfs/dbraw/zinc/94/61/17/858946117.db2.gz HQTWVIYNDFFQEM-UHFFFAOYSA-N 0 0 423.488 4.445 20 30 HIEDRN CCOc1ccccc1CN(CCCn1ccnc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000432059175 858957249 /nfs/dbraw/zinc/95/72/49/858957249.db2.gz ARDCXEBKUVXANS-UHFFFAOYSA-N 0 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N#Cc1cccnc1-n1cc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)cn1 ZINC000432157289 859021391 /nfs/dbraw/zinc/02/13/91/859021391.db2.gz KWZNVHBADZUXNG-UHFFFAOYSA-N 0 0 418.460 4.394 20 30 HIEDRN CCO[C@@H]1C[C@@H](N(C)C(=O)CCCC(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000432184220 859036476 /nfs/dbraw/zinc/03/64/76/859036476.db2.gz FACONWOGZLGIPD-NHCUHLMSSA-N 0 0 411.546 4.253 20 30 HIEDRN C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C1=O ZINC000432209355 859047653 /nfs/dbraw/zinc/04/76/53/859047653.db2.gz BEICPHXCQZCMDQ-IRXDYDNUSA-N 0 0 408.351 4.477 20 30 HIEDRN CN(C(=O)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1)c1ccccc1 ZINC000432210789 859048729 /nfs/dbraw/zinc/04/87/29/859048729.db2.gz QVUIDIMGEBSTKS-HNNXBMFYSA-N 0 0 416.403 4.094 20 30 HIEDRN CC(C)CO[C@H](C)c1noc(CSCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000467555682 881377597 /nfs/dbraw/zinc/37/75/97/881377597.db2.gz UTOMYMNFUJIMMQ-GFCCVEGCSA-N 0 0 408.911 4.200 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCCC(=O)Nc1ccc(Cl)cc1 ZINC000432259764 859071918 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C=CCN(C(=O)NC[C@H](c1ccccc1)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000432617197 859257171 /nfs/dbraw/zinc/25/71/71/859257171.db2.gz MMIALYKEODDUFK-WZONZLPQSA-N 0 0 416.529 4.115 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000432654185 859276205 /nfs/dbraw/zinc/27/62/05/859276205.db2.gz OZDVKHLCSHNTCP-IBGZPJMESA-N 0 0 410.518 4.322 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)c2)c1 ZINC000432665656 859280508 /nfs/dbraw/zinc/28/05/08/859280508.db2.gz HZIURIJMKXAKNE-OFNKIYASSA-N 0 0 424.447 4.382 20 30 HIEDRN COc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)ccc1N1CCCC1=O ZINC000432689621 859296143 /nfs/dbraw/zinc/29/61/43/859296143.db2.gz KEAZHOKQGORGDR-LJQANCHMSA-N 0 0 406.486 4.379 20 30 HIEDRN COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)cc1OCCCC#N ZINC000432702738 859305488 /nfs/dbraw/zinc/30/54/88/859305488.db2.gz JDOQMORVNYLXCL-SILNSSARSA-N 0 0 401.466 4.244 20 30 HIEDRN N#Cc1cn(CC(=O)C2CCC(F)(F)CC2)c2ccc(Br)cc2c1=O ZINC000432729615 859323916 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Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000432845034 859385622 /nfs/dbraw/zinc/38/56/22/859385622.db2.gz BLPOKBHANBXTHI-QFIPXVFZSA-N 0 0 405.498 4.357 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000432847210 859386400 /nfs/dbraw/zinc/38/64/00/859386400.db2.gz NQMQRFJMKFXXET-KRWDZBQOSA-N 0 0 422.529 4.120 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(c3cc(C#N)ccc3C(C)=O)CC2)n1 ZINC000432875029 859402700 /nfs/dbraw/zinc/40/27/00/859402700.db2.gz XXXIONNAAXOTNJ-UHFFFAOYSA-N 0 0 402.454 4.203 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CC[S@](=O)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000432899042 859416544 /nfs/dbraw/zinc/41/65/44/859416544.db2.gz KMNISNNLTWVALM-PNAUOSDKSA-N 0 0 402.482 4.265 20 30 HIEDRN Cc1cnc(C2CCN(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000432905292 859421145 /nfs/dbraw/zinc/42/11/45/859421145.db2.gz NTVRAJNJABYWST-UHFFFAOYSA-N 0 0 407.461 4.411 20 30 HIEDRN N#Cc1nnc2ccccc2c1N1CCC(Nc2cccc(Br)c2)CC1 ZINC000432938372 859438813 /nfs/dbraw/zinc/43/88/13/859438813.db2.gz NIRUASZSPBRGHR-UHFFFAOYSA-N 0 0 408.303 4.345 20 30 HIEDRN CCN(Cc1cc(Br)ccc1CN(CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000432940515 859438879 /nfs/dbraw/zinc/43/88/79/859438879.db2.gz SCWZVMOOBJOGIZ-SJORKVTESA-N 0 0 405.384 4.412 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCSc3ccccc32)cc1Br ZINC000432947120 859441670 /nfs/dbraw/zinc/44/16/70/859441670.db2.gz BXGUDFAQBJOQQA-UHFFFAOYSA-N 0 0 409.330 4.012 20 30 HIEDRN CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000432947216 859441727 /nfs/dbraw/zinc/44/17/27/859441727.db2.gz FEJIIXCTSZZBJE-FQEVSTJZSA-N 0 0 414.531 4.395 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)C2)nc1 ZINC000432950798 859443782 /nfs/dbraw/zinc/44/37/82/859443782.db2.gz QPYQSTAUIJDQNW-OAQYLSRUSA-N 0 0 406.486 4.098 20 30 HIEDRN Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432952274 859445316 /nfs/dbraw/zinc/44/53/16/859445316.db2.gz ZFHNZVLMKHEHII-UHFFFAOYSA-N 0 0 423.357 4.320 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000432965482 859453287 /nfs/dbraw/zinc/45/32/87/859453287.db2.gz NDYDIMWVDVJGHO-NRFANRHFSA-N 0 0 415.541 4.256 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(CO)(c3ccccc3)CC2)cc1C(F)(F)F ZINC000432979054 859460525 /nfs/dbraw/zinc/46/05/25/859460525.db2.gz LQDDDFPIALHINL-UHFFFAOYSA-N 0 0 403.404 4.135 20 30 HIEDRN CC(C)n1cnnc1CN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000432990174 859465962 /nfs/dbraw/zinc/46/59/62/859465962.db2.gz YCBLVPYYPVZOQP-UHFFFAOYSA-N 0 0 408.437 4.326 20 30 HIEDRN O=C(NCc1nccn1C(F)F)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000432991384 859467196 /nfs/dbraw/zinc/46/71/96/859467196.db2.gz FKOJBZIEYLFJPQ-UHFFFAOYSA-N 0 0 400.254 4.220 20 30 HIEDRN COCC1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCOCC1 ZINC000432996117 859469705 /nfs/dbraw/zinc/46/97/05/859469705.db2.gz SORQVFJVDSROPF-UHFFFAOYSA-N 0 0 413.449 4.054 20 30 HIEDRN Cc1c(COC(C)(C)C)cccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000433004653 859474083 /nfs/dbraw/zinc/47/40/83/859474083.db2.gz GPMXTHAMEQLVIP-LJQANCHMSA-N 0 0 408.502 4.262 20 30 HIEDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000433006415 859474099 /nfs/dbraw/zinc/47/40/99/859474099.db2.gz PRGMHZRGRNXGJG-HNNXBMFYSA-N 0 0 411.346 4.217 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)C2)nc1 ZINC000433017090 859479569 /nfs/dbraw/zinc/47/95/69/859479569.db2.gz XGKPRLFUMGJDTQ-KRWDZBQOSA-N 0 0 404.392 4.133 20 30 HIEDRN C[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(N)=O ZINC000433128791 859532306 /nfs/dbraw/zinc/53/23/06/859532306.db2.gz XTUSPLZSYKYBRA-KSFYIVLOSA-N 0 0 414.465 4.130 20 30 HIEDRN CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)o1 ZINC000433165271 859549008 /nfs/dbraw/zinc/54/90/08/859549008.db2.gz BOJSZMGMFHYZHD-IBGZPJMESA-N 0 0 417.469 4.417 20 30 HIEDRN CC[C@H](NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000433213066 859569769 /nfs/dbraw/zinc/56/97/69/859569769.db2.gz BQBJSDHBBDZUMX-WPRPVWTQSA-N 0 0 410.261 4.130 20 30 HIEDRN C=CCCCCCN(C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000433213977 859570637 /nfs/dbraw/zinc/57/06/37/859570637.db2.gz HSBGPESRGHIAKI-HNNXBMFYSA-N 0 0 416.381 4.064 20 30 HIEDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433218633 859573929 /nfs/dbraw/zinc/57/39/29/859573929.db2.gz FSBZDUHJTQZNCC-MRXNPFEDSA-N 0 0 417.431 4.054 20 30 HIEDRN CC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC000433236978 859583255 /nfs/dbraw/zinc/58/32/55/859583255.db2.gz TUWKHZKONXJVPA-UHFFFAOYSA-N 0 0 401.426 4.026 20 30 HIEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2cncc(F)c2)c1 ZINC000467642768 881438787 /nfs/dbraw/zinc/43/87/87/881438787.db2.gz ACALGQSIYUXQAZ-UHFFFAOYSA-N 0 0 406.442 4.075 20 30 HIEDRN CC(=O)Nc1ccc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cn1 ZINC000433241061 859585242 /nfs/dbraw/zinc/58/52/42/859585242.db2.gz ARIJOHKRFXNTMV-UHFFFAOYSA-N 0 0 401.426 4.026 20 30 HIEDRN Cc1cnc(C2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000433284361 859616179 /nfs/dbraw/zinc/61/61/79/859616179.db2.gz FSICYBWXSWJKIN-UHFFFAOYSA-N 0 0 407.461 4.411 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000433369091 859661159 /nfs/dbraw/zinc/66/11/59/859661159.db2.gz ZQLQJCXVEYSAIP-GOSISDBHSA-N 0 0 423.314 4.405 20 30 HIEDRN O=C1[C@H](c2cccs2)N(Cc2ccccc2)C(=O)N1CC#Cc1ccc(F)cc1 ZINC000433371677 859661841 /nfs/dbraw/zinc/66/18/41/859661841.db2.gz MLMILXLFYYSZFY-NRFANRHFSA-N 0 0 404.466 4.444 20 30 HIEDRN C=CCn1c(SCc2nc3oc(C)c(C)c3c(N)n2)nnc1-c1ccc(F)cc1 ZINC000433377718 859664447 /nfs/dbraw/zinc/66/44/47/859664447.db2.gz WWLOXVRBOPTAMK-UHFFFAOYSA-N 0 0 410.478 4.298 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC(=O)c4cccn43)cc2F)c1 ZINC000433382648 859667496 /nfs/dbraw/zinc/66/74/96/859667496.db2.gz OZDWHYYJLPHSFN-HXUWFJFHSA-N 0 0 403.413 4.234 20 30 HIEDRN C=CCOc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2C)cc1OC ZINC000433397283 859675508 /nfs/dbraw/zinc/67/55/08/859675508.db2.gz ZVJPVHMFUXMSGV-SFHVURJKSA-N 0 0 403.276 4.219 20 30 HIEDRN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc(C#N)cn2C)c1 ZINC000433407945 859683137 /nfs/dbraw/zinc/68/31/37/859683137.db2.gz ZOVDQIXZECWKFI-QGZVFWFLSA-N 0 0 400.482 4.259 20 30 HIEDRN Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000433408719 859684768 /nfs/dbraw/zinc/68/47/68/859684768.db2.gz HAELIQQKHJPBMN-IBGZPJMESA-N 0 0 423.398 4.311 20 30 HIEDRN O=C(COc1cccc(NCC#Cc2ccc(OC(F)(F)F)cc2)c1)N1CCCC1 ZINC000433482038 859724053 /nfs/dbraw/zinc/72/40/53/859724053.db2.gz FBRNUOKRSXPHSJ-UHFFFAOYSA-N 0 0 418.415 4.050 20 30 HIEDRN CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000433508560 859742812 /nfs/dbraw/zinc/74/28/12/859742812.db2.gz XFEKIPUHJZFQFM-UHFFFAOYSA-N 0 0 401.869 4.163 20 30 HIEDRN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000433554440 859774057 /nfs/dbraw/zinc/77/40/57/859774057.db2.gz KFCXAXUJAQKGEC-MWTRTKDXSA-N 0 0 402.450 4.194 20 30 HIEDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433615593 859811048 /nfs/dbraw/zinc/81/10/48/859811048.db2.gz DNLOUPJQLZORGX-YYFNMXAFSA-N 0 0 416.337 4.054 20 30 HIEDRN CN(Cc1ccccc1NC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000433663030 859829153 /nfs/dbraw/zinc/82/91/53/859829153.db2.gz GMHIDJLNSUFAAA-UHFFFAOYSA-N 0 0 400.482 4.395 20 30 HIEDRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)c2)C1 ZINC000433680654 859835989 /nfs/dbraw/zinc/83/59/89/859835989.db2.gz QURQCMYEBNQYPL-JTSKRJEESA-N 0 0 417.509 4.181 20 30 HIEDRN Cc1ccc(C(=O)Nc2ccccc2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433704727 859845310 /nfs/dbraw/zinc/84/53/10/859845310.db2.gz WUIVNPYLBPNJIH-LJQANCHMSA-N 0 0 416.506 4.398 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2ccccc2NC(=O)c2cccs2)C1=O ZINC000433706434 859846164 /nfs/dbraw/zinc/84/61/64/859846164.db2.gz GIBWMWUMZAGQLS-INIZCTEOSA-N 0 0 408.508 4.151 20 30 HIEDRN CN(C(=O)c1cccc(N[C@H]2CCN(c3sccc3C#N)C2=O)c1)c1ccccc1 ZINC000433713785 859849495 /nfs/dbraw/zinc/84/94/95/859849495.db2.gz NKMDRUDNSOQIRW-FQEVSTJZSA-N 0 0 416.506 4.114 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(C)c1F ZINC000433747350 859872694 /nfs/dbraw/zinc/87/26/94/859872694.db2.gz LRHFIBDBGJTCLM-UHFFFAOYSA-N 0 0 420.282 4.449 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)Cc2cc(F)ccc2Br)cc1 ZINC000433771138 859885563 /nfs/dbraw/zinc/88/55/63/859885563.db2.gz MZTOKRBYWBJZBX-UHFFFAOYSA-N 0 0 405.267 4.476 20 30 HIEDRN C=CC[C@H](CC)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000467682207 881474929 /nfs/dbraw/zinc/47/49/29/881474929.db2.gz WIVNVUOFJUMNQK-SIKLNZKXSA-N 0 0 407.489 4.119 20 30 HIEDRN Cc1cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)sc1Br ZINC000433829032 859918906 /nfs/dbraw/zinc/91/89/06/859918906.db2.gz PPJPBPMXDOAQGE-UHFFFAOYSA-N 0 0 413.362 4.290 20 30 HIEDRN COc1cc(Br)c(S(=O)(=O)N(CCC#N)CCC(C)C)cc1Cl ZINC000433840801 859927088 /nfs/dbraw/zinc/92/70/88/859927088.db2.gz GLHHNGGNBXQLMM-UHFFFAOYSA-N 0 0 423.760 4.062 20 30 HIEDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1 ZINC000433855245 859937372 /nfs/dbraw/zinc/93/73/72/859937372.db2.gz SCGILIDFBOKTHV-FQEVSTJZSA-N 0 0 404.518 4.491 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](c2ccco2)C1 ZINC000433872364 859945258 /nfs/dbraw/zinc/94/52/58/859945258.db2.gz JANDREJMQCQMAF-LRDDRELGSA-N 0 0 409.305 4.076 20 30 HIEDRN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000433876050 859946717 /nfs/dbraw/zinc/94/67/17/859946717.db2.gz BKMCBBGHGNIKPN-KPZWWZAWSA-N 0 0 419.378 4.264 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)cc1Br ZINC000433877033 859948194 /nfs/dbraw/zinc/94/81/94/859948194.db2.gz KAADDFGVNKSWHB-INIZCTEOSA-N 0 0 409.305 4.220 20 30 HIEDRN Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c(O[C@@H](C)CC(C)C)c1 ZINC000433892549 859952898 /nfs/dbraw/zinc/95/28/98/859952898.db2.gz BFHUYBJTTWABPY-INIZCTEOSA-N 0 0 411.477 4.074 20 30 HIEDRN C[C@@H](NC(=O)NCCOCC(F)(F)C(F)F)[C@H](C)c1ccccc1C(F)(F)F ZINC000433904954 859962196 /nfs/dbraw/zinc/96/21/96/859962196.db2.gz ARESMSVZWLFKGV-WDEREUQCSA-N 0 0 418.353 4.414 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000433972310 860009433 /nfs/dbraw/zinc/00/94/33/860009433.db2.gz PONIUJJXHLZKQH-UHFFFAOYSA-N 0 0 423.469 4.165 20 30 HIEDRN CCN(C(=O)Cc1ccccc1I)[C@H](C)c1ccc(C#N)cc1 ZINC000433999813 860029434 /nfs/dbraw/zinc/02/94/34/860029434.db2.gz SNLIPVDCDAFYEB-CQSZACIVSA-N 0 0 418.278 4.315 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000467698092 881491967 /nfs/dbraw/zinc/49/19/67/881491967.db2.gz VSZZPMQTWMEHEE-PBHICJAKSA-N 0 0 411.315 4.054 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(C)Cc2cc(C)cc(C)c2)nnc1-c1ccco1 ZINC000434011777 860038693 /nfs/dbraw/zinc/03/86/93/860038693.db2.gz NCMJXLXOSBQVMB-UHFFFAOYSA-N 0 0 410.543 4.482 20 30 HIEDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000434019012 860042765 /nfs/dbraw/zinc/04/27/65/860042765.db2.gz UUWNABZVVURQEV-OPYAIIAOSA-N 0 0 411.546 4.009 20 30 HIEDRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCCC(C)(C)[C@H]4C#N)cc3C2=O)c1 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CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000434817903 860506593 /nfs/dbraw/zinc/50/65/93/860506593.db2.gz INGAPDAJYKJCOK-HXUWFJFHSA-N 0 0 410.493 4.240 20 30 HIEDRN COc1cc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)ccc1Cl ZINC000434825149 860508699 /nfs/dbraw/zinc/50/86/99/860508699.db2.gz AYZTXLWZUBGJIB-UHFFFAOYSA-N 0 0 419.868 4.142 20 30 HIEDRN CCC[C@H]1CCc2nc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)sc2C1 ZINC000434826096 860509688 /nfs/dbraw/zinc/50/96/88/860509688.db2.gz LIIMDJDUNWWTSN-DOTOQJQBSA-N 0 0 410.543 4.148 20 30 HIEDRN CN(Cc1c(Cl)cccc1Cl)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434841123 860517220 /nfs/dbraw/zinc/51/72/20/860517220.db2.gz FLIOSJAFLSBHCY-UHFFFAOYSA-N 0 0 407.301 4.019 20 30 HIEDRN COC(=O)[C@H](NCC(C)(C)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000434870800 860529081 /nfs/dbraw/zinc/52/90/81/860529081.db2.gz SJZDKFVUJFNCON-GOSISDBHSA-N 0 0 401.304 4.102 20 30 HIEDRN COC(=O)[C@@H](Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1cccc(C#N)c1 ZINC000434877487 860530722 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Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434983021 860585205 /nfs/dbraw/zinc/58/52/05/860585205.db2.gz OTYTUTOEXUGXMS-DEOSSOPVSA-N 0 0 403.505 4.011 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000435005077 860593449 /nfs/dbraw/zinc/59/34/49/860593449.db2.gz WPVFLQJZBZPZIK-UHFFFAOYSA-N 0 0 402.454 4.484 20 30 HIEDRN CCC[C@H]1CCc2nc(NC(=O)C(=O)N(CCC#N)CC(CC)CC)sc2C1 ZINC000435007172 860594260 /nfs/dbraw/zinc/59/42/60/860594260.db2.gz DIRPPSZCVAXNEH-INIZCTEOSA-N 0 0 404.580 4.165 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(C(=O)NCc4ccccc4F)cc3)CC2)c1 ZINC000435054579 860617991 /nfs/dbraw/zinc/61/79/91/860617991.db2.gz CWGRPHTXWJYXIO-UHFFFAOYSA-N 0 0 413.452 4.298 20 30 HIEDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435057226 860619837 /nfs/dbraw/zinc/61/98/37/860619837.db2.gz PCQMZMMWNIVJEW-FQEVSTJZSA-N 0 0 408.546 4.232 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1)c1ccc(F)c(F)c1 ZINC000435097382 860640428 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C[C@H](CSCc1ccccc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000438617542 864042076 /nfs/dbraw/zinc/04/20/76/864042076.db2.gz BLFNSZLUYFYFPM-MDMXATFFSA-N 0 0 409.555 4.329 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000438618633 864044190 /nfs/dbraw/zinc/04/41/90/864044190.db2.gz AXZKBMPIPODIQW-UHFFFAOYSA-N 0 0 403.404 4.021 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000438621346 864046814 /nfs/dbraw/zinc/04/68/14/864046814.db2.gz RYPDTEAMRWXGOV-SJJHQCBESA-N 0 0 413.880 4.356 20 30 HIEDRN Cc1c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cccc1-c1ccccn1 ZINC000438621347 864047487 /nfs/dbraw/zinc/04/74/87/864047487.db2.gz RYTCMSBGDAUPAH-UHFFFAOYSA-N 0 0 412.493 4.444 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)cc1Cl ZINC000467867793 881722411 /nfs/dbraw/zinc/72/24/11/881722411.db2.gz MVOPKWJBESPFOP-UHFFFAOYSA-N 0 0 406.244 4.005 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438627110 864055774 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HIEDRN CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438779915 864275248 /nfs/dbraw/zinc/27/52/48/864275248.db2.gz VKBIKUMGTIZRKT-UHFFFAOYSA-N 0 0 405.376 4.332 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)CCC2CCN(C(C)=O)CC2)C(C)(C)C)cc1 ZINC000467884386 881746874 /nfs/dbraw/zinc/74/68/74/881746874.db2.gz AVWNZEAYINEQMN-UHFFFAOYSA-N 0 0 400.563 4.417 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000438811354 864302114 /nfs/dbraw/zinc/30/21/14/864302114.db2.gz YYJFPTWBJFLPRY-STQMWFEESA-N 0 0 403.454 4.175 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccc(F)cc1F ZINC000438811904 864303596 /nfs/dbraw/zinc/30/35/96/864303596.db2.gz MOFZMEREFXLTAD-AWEZNQCLSA-N 0 0 421.403 4.445 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000438813538 864306209 /nfs/dbraw/zinc/30/62/09/864306209.db2.gz UGYDCOVRMGHJBG-UHFFFAOYSA-N 0 0 424.869 4.103 20 30 HIEDRN C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000438818208 864310554 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/nfs/dbraw/zinc/82/64/59/864826459.db2.gz IGDHNVXZDXUOHG-OAQYLSRUSA-N 0 0 414.465 4.282 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439440349 864832264 /nfs/dbraw/zinc/83/22/64/864832264.db2.gz OAKLPAXEBRRGMW-GOSISDBHSA-N 0 0 403.404 4.338 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1)c1ccccc1 ZINC000439441535 864832942 /nfs/dbraw/zinc/83/29/42/864832942.db2.gz QBCXIWVNEKNNNV-LJQANCHMSA-N 0 0 424.932 4.430 20 30 HIEDRN CN(c1ccccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1)C1CCCC1 ZINC000439444949 864834161 /nfs/dbraw/zinc/83/41/61/864834161.db2.gz CGAMTEPSIOLPJX-HXUWFJFHSA-N 0 0 404.514 4.165 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439450025 864835875 /nfs/dbraw/zinc/83/58/75/864835875.db2.gz KHLMXYSLBYSPOL-SFHVURJKSA-N 0 0 403.404 4.338 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439458873 864839275 /nfs/dbraw/zinc/83/92/75/864839275.db2.gz FIJAUEZLZPYUKC-SFHVURJKSA-N 0 0 419.403 4.038 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000467936183 881808116 /nfs/dbraw/zinc/80/81/16/881808116.db2.gz BJHKNWHWFMBTQQ-UHFFFAOYSA-N 0 0 417.282 4.204 20 30 HIEDRN N#CCC[C@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000439484534 864848521 /nfs/dbraw/zinc/84/85/21/864848521.db2.gz FMANPEBAXODSPV-SFHVURJKSA-N 0 0 421.892 4.360 20 30 HIEDRN N#CCC[C@H](NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccccc1 ZINC000439484139 864848608 /nfs/dbraw/zinc/84/86/08/864848608.db2.gz NTXODCIWAVDZNJ-FQEVSTJZSA-N 0 0 404.445 4.202 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000439490595 864850145 /nfs/dbraw/zinc/85/01/45/864850145.db2.gz GQIFNXXWNOEPFJ-LDLZHSJESA-N 0 0 403.526 4.275 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000439514830 864859346 /nfs/dbraw/zinc/85/93/46/864859346.db2.gz CQSRJJNDIVNSTR-CYBMUJFWSA-N 0 0 410.474 4.110 20 30 HIEDRN Cc1cc(F)cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1 ZINC000439523058 864863346 /nfs/dbraw/zinc/86/33/46/864863346.db2.gz NDQDGOZPPMQBSE-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN CSc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 ZINC000439528402 864864864 /nfs/dbraw/zinc/86/48/64/864864864.db2.gz LSFLCKVLZSRQOA-UHFFFAOYSA-N 0 0 417.490 4.436 20 30 HIEDRN CSc1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000439529108 864865627 /nfs/dbraw/zinc/86/56/27/864865627.db2.gz RUUXTDMGAHDIKD-UHFFFAOYSA-N 0 0 417.490 4.436 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1c(F)cccc1F ZINC000439532333 864866344 /nfs/dbraw/zinc/86/63/44/864866344.db2.gz KGJXQYMPMDEBRC-UHFFFAOYSA-N 0 0 421.403 4.301 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000439543938 864872381 /nfs/dbraw/zinc/87/23/81/864872381.db2.gz AVWPHGZZPNVNNR-GOSISDBHSA-N 0 0 422.529 4.427 20 30 HIEDRN N#Cc1ccc(CSCCCS(=O)(=O)c2ccc(F)cc2)c(OC(F)F)c1 ZINC000439545579 864873236 /nfs/dbraw/zinc/87/32/36/864873236.db2.gz HOACBZXSUFNIFA-UHFFFAOYSA-N 0 0 415.458 4.396 20 30 HIEDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@H](CC)CC#N)cc1 ZINC000439544812 864873413 /nfs/dbraw/zinc/87/34/13/864873413.db2.gz DBLUFCHAGREWOE-OAHLLOKOSA-N 0 0 415.877 4.278 20 30 HIEDRN Cc1ccc(CN(C(=O)CSCc2ccc(C#N)cc2OC(F)F)C2CC2)o1 ZINC000439548841 864876168 /nfs/dbraw/zinc/87/61/68/864876168.db2.gz MRKXHLLHQQGZKB-UHFFFAOYSA-N 0 0 406.454 4.486 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc21 ZINC000439552574 864878419 /nfs/dbraw/zinc/87/84/19/864878419.db2.gz RHFRRHSVJWAVIH-OAHLLOKOSA-N 0 0 422.872 4.427 20 30 HIEDRN Cc1cc(N2CC[C@H](Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C2=O)n(C)n1 ZINC000439562708 864887936 /nfs/dbraw/zinc/88/79/36/864887936.db2.gz SREXJZRATSPROT-IBGZPJMESA-N 0 0 421.888 4.263 20 30 HIEDRN CC(=O)Nc1ccc(Br)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000439562576 864887991 /nfs/dbraw/zinc/88/79/91/864887991.db2.gz SMXGSIRRZULVMJ-UHFFFAOYSA-N 0 0 410.218 4.493 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C(F)(F)F ZINC000439562468 864888017 /nfs/dbraw/zinc/88/80/17/864888017.db2.gz SKMXFNDCQKMYIU-NWDGAFQWSA-N 0 0 401.454 4.343 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Sc2ccc(OC)cc2)c(Cl)c1 ZINC000439563805 864888419 /nfs/dbraw/zinc/88/84/19/864888419.db2.gz XBQVVKPCWNJQDP-CYBMUJFWSA-N 0 0 417.918 4.247 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000439584388 864906986 /nfs/dbraw/zinc/90/69/86/864906986.db2.gz BWPQIUWCFVNZGM-UHFFFAOYSA-N 0 0 404.470 4.077 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000439597592 864920381 /nfs/dbraw/zinc/92/03/81/864920381.db2.gz RDRSDUDEBFDKMJ-UHFFFAOYSA-N 0 0 402.495 4.066 20 30 HIEDRN COc1c(F)cc(F)cc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000439602226 864926120 /nfs/dbraw/zinc/92/61/20/864926120.db2.gz DXICDEDXKDAJPA-UHFFFAOYSA-N 0 0 423.375 4.215 20 30 HIEDRN N#CCC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000439660332 864988940 /nfs/dbraw/zinc/98/89/40/864988940.db2.gz YGERFYKJRYUYMV-SFHVURJKSA-N 0 0 410.520 4.356 20 30 HIEDRN CCCc1c(NC(=O)NCCC2CCC(OC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439663934 864993486 /nfs/dbraw/zinc/99/34/86/864993486.db2.gz NARMNVHVFKAGSP-UHFFFAOYSA-N 0 0 409.534 4.413 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](C)CCc2cccn2C)cnn1-c1cccc(C#N)c1 ZINC000439666498 864997521 /nfs/dbraw/zinc/99/75/21/864997521.db2.gz HWXRMRMQTZGFDP-KRWDZBQOSA-N 0 0 404.518 4.178 20 30 HIEDRN CCCc1c(NC(=O)N2CCCC[C@H](CCOC)C2)cnn1-c1cccc(C#N)c1 ZINC000439667531 864998382 /nfs/dbraw/zinc/99/83/82/864998382.db2.gz YQQZWWOQXREYGO-GOSISDBHSA-N 0 0 409.534 4.367 20 30 HIEDRN COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)cc(OC)c1Br ZINC000439669630 865000781 /nfs/dbraw/zinc/00/07/81/865000781.db2.gz DDXCAYGONOATSB-OAHLLOKOSA-N 0 0 403.276 4.241 20 30 HIEDRN Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000439671625 865005208 /nfs/dbraw/zinc/00/52/08/865005208.db2.gz HXQPWLRVBCASSP-KRWDZBQOSA-N 0 0 420.538 4.268 20 30 HIEDRN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](CCC#N)c3ccccc3)C2)c1 ZINC000439673333 865006216 /nfs/dbraw/zinc/00/62/16/865006216.db2.gz MNHOCJSPXAYJJX-IRLDBZIGSA-N 0 0 404.514 4.400 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H]2C[C@H](OCC)C23CCC3)cnn1-c1cccc(C#N)c1 ZINC000439678843 865013628 /nfs/dbraw/zinc/01/36/28/865013628.db2.gz RFZTYNSWOBAKON-RTWAWAEBSA-N 0 0 407.518 4.166 20 30 HIEDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)CC2 ZINC000439678312 865013663 /nfs/dbraw/zinc/01/36/63/865013663.db2.gz NQUUQMWTRJJPGS-RDJZCZTQSA-N 0 0 402.420 4.070 20 30 HIEDRN CCCc1c(NC(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)cnn1-c1cccc(C#N)c1 ZINC000439678915 865013733 /nfs/dbraw/zinc/01/37/33/865013733.db2.gz RYYHGHRAHIGVTE-MRXNPFEDSA-N 0 0 417.517 4.816 20 30 HIEDRN N#CCC[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccccc1 ZINC000439679920 865014905 /nfs/dbraw/zinc/01/49/05/865014905.db2.gz YSJHYIRHDBYXAU-PKOBYXMFSA-N 0 0 416.447 4.478 20 30 HIEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1ccccc1C#N)CCCC2 ZINC000439683164 865018994 /nfs/dbraw/zinc/01/89/94/865018994.db2.gz GWTCEHBXZVZXMF-QGZVFWFLSA-N 0 0 420.538 4.020 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](COC)c2ccc(C)o2)cnn1-c1cccc(C#N)c1 ZINC000439688065 865024193 /nfs/dbraw/zinc/02/41/93/865024193.db2.gz PABRXVLHRGDKIR-LJQANCHMSA-N 0 0 407.474 4.107 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H](CCCc4ccccc4)C3)cc2)c1N ZINC000439698803 865035208 /nfs/dbraw/zinc/03/52/08/865035208.db2.gz WQNNAQGBLOYVMI-FQEVSTJZSA-N 0 0 413.525 4.201 20 30 HIEDRN C[C@H]1Oc2ccc(C(=O)C3CCN(CC#Cc4cccc(Cl)c4)CC3)cc2NC1=O ZINC000439793780 865114930 /nfs/dbraw/zinc/11/49/30/865114930.db2.gz MTCKAKOWDDQGKL-MRXNPFEDSA-N 0 0 422.912 4.006 20 30 HIEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000439796994 865117535 /nfs/dbraw/zinc/11/75/35/865117535.db2.gz ZDYVSYAXGITBOR-UHFFFAOYSA-N 0 0 418.476 4.097 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1 ZINC000439847259 865158143 /nfs/dbraw/zinc/15/81/43/865158143.db2.gz BLJMKPZZOLLXAR-UHFFFAOYSA-N 0 0 419.506 4.334 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1 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866809072 /nfs/dbraw/zinc/80/90/72/866809072.db2.gz UOMNRTLLXZBRJO-HNNXBMFYSA-N 0 0 407.417 4.113 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000441703654 866812599 /nfs/dbraw/zinc/81/25/99/866812599.db2.gz SPHHHPXAKHFXBL-UHFFFAOYSA-N 0 0 417.465 4.036 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000441721239 866819679 /nfs/dbraw/zinc/81/96/79/866819679.db2.gz YOCGWUWPNRMHPW-UHFFFAOYSA-N 0 0 423.822 4.263 20 30 HIEDRN CCCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C)c2C#N)cc1OC ZINC000441738567 866828863 /nfs/dbraw/zinc/82/88/63/866828863.db2.gz HEJIQUPNHWPSIF-QGZVFWFLSA-N 0 0 423.513 4.260 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1C(F)(F)F ZINC000441742653 866830600 /nfs/dbraw/zinc/83/06/00/866830600.db2.gz YORHVTUVWVRWHN-HKUYNNGSSA-N 0 0 415.415 4.358 20 30 HIEDRN CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000441759137 866838464 /nfs/dbraw/zinc/83/84/64/866838464.db2.gz GHCHAPWMVGVZKN-CYBMUJFWSA-N 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873257695 /nfs/dbraw/zinc/25/76/95/873257695.db2.gz FCXMKSOSGQTYPJ-FOIQADDNSA-N 0 0 424.442 4.452 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCCC[C@@H]1c1ccccc1 ZINC000460551985 873263413 /nfs/dbraw/zinc/26/34/13/873263413.db2.gz NSPCHIASUBXAFN-LJQANCHMSA-N 0 0 405.502 4.109 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCC[C@@H]1[C@@H](C)CCC ZINC000460555264 873272398 /nfs/dbraw/zinc/27/23/98/873272398.db2.gz STIZBRNHRRVIFC-FXAWDEMLSA-N 0 0 416.591 4.330 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000460556882 873274548 /nfs/dbraw/zinc/27/45/48/873274548.db2.gz WALUVKRGABKFJB-FQEVSTJZSA-N 0 0 407.493 4.241 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCc2cccc(Br)c2C1 ZINC000460556974 873275723 /nfs/dbraw/zinc/27/57/23/873275723.db2.gz UAOGGFNQCXLVDS-UHFFFAOYSA-N 0 0 410.319 4.241 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2ccc(F)cc2C1 ZINC000460556870 873276326 /nfs/dbraw/zinc/27/63/26/873276326.db2.gz VVGMKCKKZWGJSN-UHFFFAOYSA-N 0 0 403.461 4.007 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C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000460949814 873848639 /nfs/dbraw/zinc/84/86/39/873848639.db2.gz CUNLZMMMJAIBJD-UNMCSNQZSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC000460949726 873848812 /nfs/dbraw/zinc/84/88/12/873848812.db2.gz NMJAWFGXIQGRTK-VDGAXYAQSA-N 0 0 400.498 4.281 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000460949811 873848845 /nfs/dbraw/zinc/84/88/45/873848845.db2.gz CUNLZMMMJAIBJD-IFMALSPDSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000460950774 873849817 /nfs/dbraw/zinc/84/98/17/873849817.db2.gz SLBKPQHEOYWFKO-RUZDIDTESA-N 0 0 420.532 4.115 20 30 HIEDRN N#Cc1cc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)ccc1F ZINC000468633116 882765826 /nfs/dbraw/zinc/76/58/26/882765826.db2.gz VXSCLTYBQWISLJ-UHFFFAOYSA-N 0 0 402.454 4.143 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(CCOC)C1CC1 ZINC000460952288 873850613 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C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000460958290 873855024 /nfs/dbraw/zinc/85/50/24/873855024.db2.gz KFYRGHOWEMAUAF-NRFANRHFSA-N 0 0 406.534 4.125 20 30 HIEDRN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000460958291 873855400 /nfs/dbraw/zinc/85/54/00/873855400.db2.gz KFYRGHOWEMAUAF-OAQYLSRUSA-N 0 0 406.534 4.125 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1cc(Br)ccc1Cl ZINC000460958704 873856535 /nfs/dbraw/zinc/85/65/35/873856535.db2.gz HZYDWWJDSSHMDW-UHFFFAOYSA-N 0 0 416.500 4.255 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2ccc(F)cc2C1 ZINC000460960480 873857266 /nfs/dbraw/zinc/85/72/66/873857266.db2.gz PVUIXZWELOOVNG-UHFFFAOYSA-N 0 0 408.477 4.240 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000460961384 873858474 /nfs/dbraw/zinc/85/84/74/873858474.db2.gz VJQHAQQNKZHQMW-CVEARBPZSA-N 0 0 404.605 4.485 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CCCO)CC1 ZINC000460961465 873858506 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/nfs/dbraw/zinc/00/51/26/874005126.db2.gz NQODWDNIUWANQT-OAQYLSRUSA-N 0 0 419.485 4.050 20 30 HIEDRN C=CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000461094200 874009691 /nfs/dbraw/zinc/00/96/91/874009691.db2.gz KCWXDFHJUDIXTA-GOSISDBHSA-N 0 0 423.326 4.008 20 30 HIEDRN C=CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000461094201 874010593 /nfs/dbraw/zinc/01/05/93/874010593.db2.gz KCWXDFHJUDIXTA-SFHVURJKSA-N 0 0 423.326 4.008 20 30 HIEDRN CCSc1cc(Cl)ccc1C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000461100806 874019559 /nfs/dbraw/zinc/01/95/59/874019559.db2.gz BGJDHNIBWWVKEX-HNNXBMFYSA-N 0 0 420.918 4.472 20 30 HIEDRN CCS[C@@H]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 ZINC000461120383 874046568 /nfs/dbraw/zinc/04/65/68/874046568.db2.gz BLOGGDVTHOVBIX-VAMGGRTRSA-N 0 0 411.575 4.106 20 30 HIEDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461125782 874055873 /nfs/dbraw/zinc/05/58/73/874055873.db2.gz LOFWSGBRDWYDSE-PWRODBHTSA-N 0 0 423.561 4.026 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000461133275 874069887 /nfs/dbraw/zinc/06/98/87/874069887.db2.gz ZOGQWLJOQKFSPF-LJQANCHMSA-N 0 0 412.534 4.441 20 30 HIEDRN CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468658214 882793982 /nfs/dbraw/zinc/79/39/82/882793982.db2.gz JTNHSMPMGNWGQA-ICSRJNTNSA-N 0 0 421.335 4.304 20 30 HIEDRN Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2C[C@@H]2CCCO2)o1 ZINC000461159271 874117335 /nfs/dbraw/zinc/11/73/35/874117335.db2.gz JYNMULMZJBLDMH-NRFANRHFSA-N 0 0 415.497 4.191 20 30 HIEDRN CC(C)C[C@@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461164017 874127080 /nfs/dbraw/zinc/12/70/80/874127080.db2.gz VODRPYUHYRLEAH-RBBKRZOGSA-N 0 0 423.561 4.313 20 30 HIEDRN CCCOc1ccc(CC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1OCCC ZINC000468660573 882795840 /nfs/dbraw/zinc/79/58/40/882795840.db2.gz NAHAHCHBDQQPDQ-LADGPHEKSA-N 0 0 414.546 4.261 20 30 HIEDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 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HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCOc1cccc2ccccc21 ZINC000461304182 874309880 /nfs/dbraw/zinc/30/98/80/874309880.db2.gz YHNMCAGMPYGIGO-UHFFFAOYSA-N 0 0 411.465 4.398 20 30 HIEDRN CCC(CC)(CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000461311288 874318352 /nfs/dbraw/zinc/31/83/52/874318352.db2.gz YUMJJRKZGXMYIV-UHFFFAOYSA-N 0 0 406.526 4.481 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccoc2)n1Cc1cccs1 ZINC000461311960 874319309 /nfs/dbraw/zinc/31/93/09/874319309.db2.gz BBHFHLRYCQIMBW-UHFFFAOYSA-N 0 0 419.510 4.173 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2Cc2cccs2)cc1 ZINC000461314206 874322191 /nfs/dbraw/zinc/32/21/91/874322191.db2.gz AAKVFRKYOGHLOA-PMACEKPBSA-N 0 0 405.527 4.074 20 30 HIEDRN COc1ccc(CCCCCC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 ZINC000461315179 874323892 /nfs/dbraw/zinc/32/38/92/874323892.db2.gz CEIQUYPOGCIZDO-UHFFFAOYSA-N 0 0 403.486 4.198 20 30 HIEDRN CC[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461320433 874329070 /nfs/dbraw/zinc/32/90/70/874329070.db2.gz DLQRYVUUJGSPLX-UZLBHIALSA-N 0 0 407.543 4.463 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000461323840 874334398 /nfs/dbraw/zinc/33/43/98/874334398.db2.gz PDUKMQJRMDRNCW-UHFFFAOYSA-N 0 0 409.449 4.132 20 30 HIEDRN Cc1nnc(-c2ccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)cc2)o1 ZINC000468699221 882820177 /nfs/dbraw/zinc/82/01/77/882820177.db2.gz GLDIHSIQSWUPAU-UHFFFAOYSA-N 0 0 402.454 4.037 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2sccc2C)n1C[C@H]1CCOC1 ZINC000461379768 874386650 /nfs/dbraw/zinc/38/66/50/874386650.db2.gz SGCAHOHFNUYEKS-HXUWFJFHSA-N 0 0 419.554 4.416 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461381950 874387513 /nfs/dbraw/zinc/38/75/13/874387513.db2.gz CGVSGOAIPOQJMA-UHFFFAOYSA-N 0 0 423.517 4.010 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1C#N ZINC000461390130 874396855 /nfs/dbraw/zinc/39/68/55/874396855.db2.gz VODBPIZRDZRBIP-KRWDZBQOSA-N 0 0 407.539 4.231 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)cc1 ZINC000468715357 882826686 /nfs/dbraw/zinc/82/66/86/882826686.db2.gz PYNRMBOYKRMXTI-UHFFFAOYSA-N 0 0 401.397 4.479 20 30 HIEDRN CC1(C)CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)(C)C1 ZINC000468718372 882827053 /nfs/dbraw/zinc/82/70/53/882827053.db2.gz SAVKCVIHPZGLEG-UHFFFAOYSA-N 0 0 410.518 4.307 20 30 HIEDRN C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCOC1 ZINC000461420151 874443299 /nfs/dbraw/zinc/44/32/99/874443299.db2.gz HGWFITQVWAQISS-KRWDZBQOSA-N 0 0 402.564 4.018 20 30 HIEDRN CCCOc1ccc(CNc2nn(-c3ccc(C#N)cn3)cc2C)c(OCCC)c1 ZINC000461421627 874446847 /nfs/dbraw/zinc/44/68/47/874446847.db2.gz OOMKDILEGJZKHQ-UHFFFAOYSA-N 0 0 405.502 4.637 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccc2)n1C[C@@H]1CCOC1 ZINC000461428439 874464073 /nfs/dbraw/zinc/46/40/73/874464073.db2.gz QSFAUQLDSKIOPD-FQEVSTJZSA-N 0 0 404.514 4.183 20 30 HIEDRN N#CCCn1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461428905 874468310 /nfs/dbraw/zinc/46/83/10/874468310.db2.gz SZFHVBXOBVGGJF-RYQLBKOJSA-N 0 0 407.474 4.071 20 30 HIEDRN CCc1ccc(C(=O)N2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)cc1 ZINC000461461872 874521652 /nfs/dbraw/zinc/52/16/52/874521652.db2.gz FWSOEGSUEBOYHS-UHFFFAOYSA-N 0 0 402.473 4.079 20 30 HIEDRN C=CC[C@@H]1N(c2nnc([C@@H]3COCCO3)n2Cc2cccs2)CCCC1(C)C ZINC000461482248 874542459 /nfs/dbraw/zinc/54/24/59/874542459.db2.gz AXMGZJGAFMYXKG-ROUUACIJSA-N 0 0 402.564 4.047 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2COCCO2)n1Cc1cccs1 ZINC000461483637 874545225 /nfs/dbraw/zinc/54/52/25/874545225.db2.gz CTGROGBDPBZSTE-HXUWFJFHSA-N 0 0 410.543 4.059 20 30 HIEDRN C[C@H](C1CCC1)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461490603 874555545 /nfs/dbraw/zinc/55/55/45/874555545.db2.gz LNVYEUYLHKGDMF-MRXNPFEDSA-N 0 0 407.543 4.463 20 30 HIEDRN C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cccs1 ZINC000461505147 874580866 /nfs/dbraw/zinc/58/08/66/874580866.db2.gz CANSYASKMCIENZ-UHFFFAOYSA-N 0 0 418.950 4.356 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461509257 874586105 /nfs/dbraw/zinc/58/61/05/874586105.db2.gz ABOQLTDDHPTKMC-HXUWFJFHSA-N 0 0 419.504 4.407 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCOC1 ZINC000461540190 874627079 /nfs/dbraw/zinc/62/70/79/874627079.db2.gz ZUQQEJVPSIYSRM-GOSISDBHSA-N 0 0 413.522 4.004 20 30 HIEDRN COC(=O)COc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(C)c1 ZINC000468761752 882847322 /nfs/dbraw/zinc/84/73/22/882847322.db2.gz AMPHSUHJEQKEDA-UHFFFAOYSA-N 0 0 405.454 4.058 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2OCC[C@@H]2C)n1C[C@H]1CCOC1 ZINC000461552233 874638844 /nfs/dbraw/zinc/63/88/44/874638844.db2.gz BCROFCYUIPMGJE-HDMKZQKVSA-N 0 0 422.982 4.320 20 30 HIEDRN Cc1ccc(C[C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 ZINC000461592954 874714625 /nfs/dbraw/zinc/71/46/25/874714625.db2.gz BUCUFPZXQKFBIY-SIKLNZKXSA-N 0 0 415.541 4.229 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c(OC)c1 ZINC000461595326 874718195 /nfs/dbraw/zinc/71/81/95/874718195.db2.gz SVWPJUWVRYEJQQ-IBGZPJMESA-N 0 0 419.525 4.482 20 30 HIEDRN CC1=C(c2ccco2)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 ZINC000461601078 874730725 /nfs/dbraw/zinc/73/07/25/874730725.db2.gz QRBOGGPZSTUMHQ-IBGZPJMESA-N 0 0 415.497 4.130 20 30 HIEDRN C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCOC1 ZINC000461603140 874736171 /nfs/dbraw/zinc/73/61/71/874736171.db2.gz NJETYOQMLLSKDI-OAHLLOKOSA-N 0 0 423.344 4.379 20 30 HIEDRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461605290 874740412 /nfs/dbraw/zinc/74/04/12/874740412.db2.gz ROJSVCZEOWXCCW-FUHWJXTLSA-N 0 0 405.477 4.190 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461606120 874742822 /nfs/dbraw/zinc/74/28/22/874742822.db2.gz GPDWOUQAPJWKHN-KKLQWCBXSA-N 0 0 413.525 4.236 20 30 HIEDRN CC(C)Oc1ccc(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 ZINC000461606445 874744530 /nfs/dbraw/zinc/74/45/30/874744530.db2.gz UARZZYKCXPYSPU-LJQANCHMSA-N 0 0 417.513 4.408 20 30 HIEDRN Cc1nn2c(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)c(C(C)C)nc2s1 ZINC000468784455 882858775 /nfs/dbraw/zinc/85/87/75/882858775.db2.gz BMNNKFWTIBTMHZ-UHFFFAOYSA-N 0 0 422.558 4.418 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461608540 874748266 /nfs/dbraw/zinc/74/82/66/874748266.db2.gz YKCWDBQBTKMZDL-IBGZPJMESA-N 0 0 417.488 4.185 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)s2)n1C[C@@H]1CCOC1 ZINC000461614024 874759179 /nfs/dbraw/zinc/75/91/79/874759179.db2.gz RDPBKNPIUHUCQP-FQEVSTJZSA-N 0 0 419.554 4.416 20 30 HIEDRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461620033 874769862 /nfs/dbraw/zinc/76/98/62/874769862.db2.gz RPPRAWGLFIWUSG-FUHWJXTLSA-N 0 0 423.542 4.024 20 30 HIEDRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461620035 874771429 /nfs/dbraw/zinc/77/14/29/874771429.db2.gz RPPRAWGLFIWUSG-WMZOPIPTSA-N 0 0 423.542 4.024 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461622834 874776413 /nfs/dbraw/zinc/77/64/13/874776413.db2.gz YSWVBJWXTFFGGD-FXAWDEMLSA-N 0 0 419.554 4.429 20 30 HIEDRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461634831 874792302 /nfs/dbraw/zinc/79/23/02/874792302.db2.gz WHGXTLMCRHAFMH-AEFFLSMTSA-N 0 0 405.477 4.190 20 30 HIEDRN CCC[C@H](C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461636316 874793700 /nfs/dbraw/zinc/79/37/00/874793700.db2.gz XNXODQWGZKRAOU-DWLFOUALSA-N 0 0 423.561 4.170 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(C(C)(C)C)n1C[C@H]1CCCCO1 ZINC000461645797 874802811 /nfs/dbraw/zinc/80/28/11/874802811.db2.gz CRAGFXQFRBLELB-LJQANCHMSA-N 0 0 413.522 4.246 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000461647894 874804701 /nfs/dbraw/zinc/80/47/01/874804701.db2.gz DGTJCLGATGANEE-UHFFFAOYSA-N 0 0 407.449 4.449 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCO1 ZINC000461652775 874807105 /nfs/dbraw/zinc/80/71/05/874807105.db2.gz APBWYSAQXWHMOE-JOCHJYFZSA-N 0 0 403.530 4.144 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCCO1 ZINC000461672784 874823002 /nfs/dbraw/zinc/82/30/02/874823002.db2.gz MYAFJFWZWVXOAV-OAQYLSRUSA-N 0 0 406.534 4.102 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(CC3CCCCC3)n2C[C@H]2CCOC2)C2CC2)cc1 ZINC000461687699 874837888 /nfs/dbraw/zinc/83/78/88/874837888.db2.gz BFMYEFYNSHHDGF-JOCHJYFZSA-N 0 0 419.573 4.478 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCOC1 ZINC000461691446 874841328 /nfs/dbraw/zinc/84/13/28/874841328.db2.gz BCMDZILONJSVDU-GOSISDBHSA-N 0 0 417.513 4.291 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000461692340 874842226 /nfs/dbraw/zinc/84/22/26/874842226.db2.gz ORYPPIJGKHEJCI-FQEVSTJZSA-N 0 0 404.514 4.180 20 30 HIEDRN C[C@H](C1CCCCC1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461700010 874850031 /nfs/dbraw/zinc/85/00/31/874850031.db2.gz LQTIYWGAMPIPDU-UYAOXDASSA-N 0 0 423.561 4.170 20 30 HIEDRN CC(C)N(Cc1ccccc1F)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461701751 874851416 /nfs/dbraw/zinc/85/14/16/874851416.db2.gz XMYUIZBGKZLZMT-IBGZPJMESA-N 0 0 419.504 4.407 20 30 HIEDRN CCCCOc1c(Cl)cc(C(=O)Nc2nn(C(C)C)cc2C#N)cc1OCC ZINC000468807782 882869706 /nfs/dbraw/zinc/86/97/06/882869706.db2.gz CQJJFCQUNHJUTH-UHFFFAOYSA-N 0 0 404.898 4.819 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 ZINC000461728321 874874794 /nfs/dbraw/zinc/87/47/94/874874794.db2.gz NYWLSXAGSJQMSY-UHFFFAOYSA-N 0 0 403.507 4.131 20 30 HIEDRN CCN(Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461731592 874877228 /nfs/dbraw/zinc/87/72/28/874877228.db2.gz PGSJPGOCSUIAKK-QFIPXVFZSA-N 0 0 401.514 4.412 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)cc1 ZINC000461740453 874885442 /nfs/dbraw/zinc/88/54/42/874885442.db2.gz LQRRRNXQFMVGBC-UHFFFAOYSA-N 0 0 413.408 4.265 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461781695 874904903 /nfs/dbraw/zinc/90/49/03/874904903.db2.gz UVBXSEQDOSXGED-WMLDXEAASA-N 0 0 422.485 4.158 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@H]3COc4c3ccc(Cl)c4Cl)on2)c1 ZINC000468820290 882875987 /nfs/dbraw/zinc/87/59/87/882875987.db2.gz CTDBNGLZBFUBAK-HNNXBMFYSA-N 0 0 400.221 4.384 20 30 HIEDRN Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCO2)c2ccccc21 ZINC000461806164 874918911 /nfs/dbraw/zinc/91/89/11/874918911.db2.gz BXMCDUXOSDSDFM-LJQANCHMSA-N 0 0 418.545 4.136 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCO1 ZINC000461817247 874938875 /nfs/dbraw/zinc/93/88/75/874938875.db2.gz DLRLFKOHKGCOBI-UYAOXDASSA-N 0 0 400.498 4.030 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000461820529 874944622 /nfs/dbraw/zinc/94/46/22/874944622.db2.gz URDYYOSEGYQRSA-FDFHNCONSA-N 0 0 408.546 4.271 20 30 HIEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@H]2CCCC[C@@H]12 ZINC000461824154 874949575 /nfs/dbraw/zinc/94/95/75/874949575.db2.gz BYWDLXSSRAWMMO-MNAPGUCWSA-N 0 0 405.546 4.401 20 30 HIEDRN C[C@@H]1Cc2ccccc2CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461839497 874975709 /nfs/dbraw/zinc/97/57/09/874975709.db2.gz KDTODTVVZYEBJT-JPYJTQIMSA-N 0 0 413.525 4.337 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCCCO1 ZINC000461856630 875001802 /nfs/dbraw/zinc/00/18/02/875001802.db2.gz SOGYWRSIEDNAGC-PBHICJAKSA-N 0 0 418.339 4.015 20 30 HIEDRN CS[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 ZINC000461858551 875005775 /nfs/dbraw/zinc/00/57/75/875005775.db2.gz CYRPIJXHEGYBKR-UXHICEINSA-N 0 0 411.575 4.108 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCO1 ZINC000461870408 875021248 /nfs/dbraw/zinc/02/12/48/875021248.db2.gz OEJGQPQQBRGFIM-JTDSTZFVSA-N 0 0 417.941 4.379 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)COC(C)(C)C(F)(F)F ZINC000468847870 882888663 /nfs/dbraw/zinc/88/86/63/882888663.db2.gz DBUCWLPEVSKLQE-UHFFFAOYSA-N 0 0 412.221 4.460 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2NCc2c3c(nn2C)CCCC3)c1Br ZINC000461890740 875040277 /nfs/dbraw/zinc/04/02/77/875040277.db2.gz SIGCZDKNXVZIQS-UHFFFAOYSA-N 0 0 410.319 4.402 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000461911153 875053874 /nfs/dbraw/zinc/05/38/74/875053874.db2.gz QZIVJUCNBINIAO-WFASDCNBSA-N 0 0 401.264 4.450 20 30 HIEDRN C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)ccn2)C1 ZINC000461922261 875062871 /nfs/dbraw/zinc/06/28/71/875062871.db2.gz YYFKHYXQTBQPFC-AWEZNQCLSA-N 0 0 418.419 4.383 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000461930568 875067503 /nfs/dbraw/zinc/06/75/03/875067503.db2.gz DVDRYAMKMZLNAN-IUODEOHRSA-N 0 0 405.321 4.310 20 30 HIEDRN CCCn1c(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc2ccccc21 ZINC000468856407 882892433 /nfs/dbraw/zinc/89/24/33/882892433.db2.gz HBLLMQJJZGGCSM-QGZVFWFLSA-N 0 0 407.470 4.072 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000461955188 875084157 /nfs/dbraw/zinc/08/41/57/875084157.db2.gz FQBYSFFFLFKUQY-RRMPHLOHSA-N 0 0 411.889 4.192 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000461957328 875085215 /nfs/dbraw/zinc/08/52/15/875085215.db2.gz JYOHXOBZRMQDQO-HOCLYGCPSA-N 0 0 404.392 4.384 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@](C)(O)Cc2ccccc2)cc1 ZINC000461992716 875112925 /nfs/dbraw/zinc/11/29/25/875112925.db2.gz SNNWSUGLKFSINZ-XMMPIXPASA-N 0 0 402.450 4.291 20 30 HIEDRN C[C@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000462030248 875146022 /nfs/dbraw/zinc/14/60/22/875146022.db2.gz YGFFMHZCODLORB-INIZCTEOSA-N 0 0 410.905 4.082 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(CN2CCCC2)on1 ZINC000462033087 875147565 /nfs/dbraw/zinc/14/75/65/875147565.db2.gz RIAPEYCVOLRIPR-UHFFFAOYSA-N 0 0 416.481 4.282 20 30 HIEDRN C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1)c1ccc(C#N)cc1 ZINC000462034520 875148780 /nfs/dbraw/zinc/14/87/80/875148780.db2.gz RPKRHHHCMKCVND-JLTOFOAXSA-N 0 0 418.324 4.116 20 30 HIEDRN Cc1ccccc1-c1cc(NC(=O)NCCSCc2ccccc2C#N)n(C)n1 ZINC000462084853 875193596 /nfs/dbraw/zinc/19/35/96/875193596.db2.gz OWZFHGNOZPSBDW-UHFFFAOYSA-N 0 0 405.527 4.322 20 30 HIEDRN C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000462085091 875193754 /nfs/dbraw/zinc/19/37/54/875193754.db2.gz PMZHZRNVSUEWJD-GOSISDBHSA-N 0 0 422.492 4.481 20 30 HIEDRN CCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000462085877 875195108 /nfs/dbraw/zinc/19/51/08/875195108.db2.gz UCZZEJXGDKBNPA-VQTJNVASSA-N 0 0 422.533 4.121 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cn1 ZINC000462087903 875196929 /nfs/dbraw/zinc/19/69/29/875196929.db2.gz ZIAFWOZAHTVXOG-HXUWFJFHSA-N 0 0 404.449 4.331 20 30 HIEDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462087554 875196946 /nfs/dbraw/zinc/19/69/46/875196946.db2.gz YHFZQANIPOUJQA-CYBMUJFWSA-N 0 0 414.391 4.383 20 30 HIEDRN CCCC[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(OC)cc1 ZINC000462092009 875201229 /nfs/dbraw/zinc/20/12/29/875201229.db2.gz OPOSXDXMJWPDPP-HXUWFJFHSA-N 0 0 404.474 4.201 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000462093004 875202895 /nfs/dbraw/zinc/20/28/95/875202895.db2.gz MEHZILYPIHBGDT-INIZCTEOSA-N 0 0 410.890 4.151 20 30 HIEDRN CCOc1cccc2cc([C@H](C)NC(=O)Nc3cnn(-c4ncccc4C#N)c3)oc21 ZINC000462094095 875203404 /nfs/dbraw/zinc/20/34/04/875203404.db2.gz QDVAWFMXHUMKPQ-AWEZNQCLSA-N 0 0 416.441 4.167 20 30 HIEDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094322 875204531 /nfs/dbraw/zinc/20/45/31/875204531.db2.gz QOYOJWNCJTXQNJ-SFTDATJTSA-N 0 0 400.486 4.329 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2Oc2ccccc2)cn1 ZINC000462094860 875204537 /nfs/dbraw/zinc/20/45/37/875204537.db2.gz CODKRJGZMLMTSA-UHFFFAOYSA-N 0 0 410.437 4.253 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000462100388 875208232 /nfs/dbraw/zinc/20/82/32/875208232.db2.gz GCIBPBHABLMODL-CFSSXQINSA-N 0 0 420.904 4.620 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCC2(Cc3ccccc3)CCCC2)cn1 ZINC000462100109 875208943 /nfs/dbraw/zinc/20/89/43/875208943.db2.gz GCINILJOPWYTSO-UHFFFAOYSA-N 0 0 400.486 4.064 20 30 HIEDRN COc1ccc2oc([C@H](C)NC(=O)Nc3cnn(-c4ncccc4C#N)c3)c(C)c2c1 ZINC000462106051 875212647 /nfs/dbraw/zinc/21/26/47/875212647.db2.gz WFDDIXYTIVBEGA-AWEZNQCLSA-N 0 0 416.441 4.085 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000462110850 875215834 /nfs/dbraw/zinc/21/58/34/875215834.db2.gz JUXCKQOTCUDNAB-IBGZPJMESA-N 0 0 408.926 4.129 20 30 HIEDRN CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000462142648 875240824 /nfs/dbraw/zinc/24/08/24/875240824.db2.gz WJYTVLQSKYBBKX-ZDUSSCGKSA-N 0 0 415.287 4.331 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(CC)OCCc2ccccc21 ZINC000462163214 875259132 /nfs/dbraw/zinc/25/91/32/875259132.db2.gz IYITZJXPAQLEGO-HSZRJFAPSA-N 0 0 409.486 4.171 20 30 HIEDRN CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000462175763 875274783 /nfs/dbraw/zinc/27/47/83/875274783.db2.gz ADDYEMATDFIWFZ-UHFFFAOYSA-N 0 0 418.419 4.110 20 30 HIEDRN CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000462177801 875276810 /nfs/dbraw/zinc/27/68/10/875276810.db2.gz AYJFTMYFTZCFCA-UHFFFAOYSA-N 0 0 418.419 4.110 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(CN3CCCC3)on2)cc1F ZINC000462185166 875287232 /nfs/dbraw/zinc/28/72/32/875287232.db2.gz YMTFNTJYPUKDGI-UHFFFAOYSA-N 0 0 406.417 4.326 20 30 HIEDRN Cc1cc(NC(=O)CNc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)no1 ZINC000462186874 875289711 /nfs/dbraw/zinc/28/97/11/875289711.db2.gz GQPAYNKYPRQCMC-UHFFFAOYSA-N 0 0 416.359 4.716 20 30 HIEDRN CSc1cccc([C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189818 875295814 /nfs/dbraw/zinc/29/58/14/875295814.db2.gz PHQFXEDBYZKOSX-FGZHOGPDSA-N 0 0 415.509 4.174 20 30 HIEDRN CSc1cccc([C@H](NCC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)c(F)c2)c1 ZINC000462189817 875296457 /nfs/dbraw/zinc/29/64/57/875296457.db2.gz PHQFXEDBYZKOSX-FCHUYYIVSA-N 0 0 415.509 4.174 20 30 HIEDRN C[C@@H](c1ccsc1)N1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462203314 875311485 /nfs/dbraw/zinc/31/14/85/875311485.db2.gz YRZNOMQPKONAGF-INIZCTEOSA-N 0 0 421.488 4.207 20 30 HIEDRN COc1ccc([C@H]2CCCN2C(=O)CNc2cc(C#N)ccc2OC(C)C)c(OC)c1 ZINC000462224097 875333104 /nfs/dbraw/zinc/33/31/04/875333104.db2.gz LQOCWGGDPOGAMZ-OAQYLSRUSA-N 0 0 423.513 4.138 20 30 HIEDRN CS(=O)(=O)c1cccc(Oc2ccc(NCCOc3cccc(C#N)c3)cc2)c1 ZINC000462233667 875345558 /nfs/dbraw/zinc/34/55/58/875345558.db2.gz OTXMNNZRFSLXTD-UHFFFAOYSA-N 0 0 408.479 4.245 20 30 HIEDRN C[C@H](C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)c1cccc(C#N)c1 ZINC000462273981 875401197 /nfs/dbraw/zinc/40/11/97/875401197.db2.gz CGQXQYCINGBSOH-MDOVXXIYSA-N 0 0 413.315 4.413 20 30 HIEDRN COc1cccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)c2ccccc2Cl)c1 ZINC000462328496 875446211 /nfs/dbraw/zinc/44/62/11/875446211.db2.gz SFUNSDABKNTCBW-OAQYLSRUSA-N 0 0 412.898 4.288 20 30 HIEDRN COc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2Cl)c1 ZINC000462329147 875446459 /nfs/dbraw/zinc/44/64/59/875446459.db2.gz VOTLSZUIXKYLCD-OAQYLSRUSA-N 0 0 412.898 4.288 20 30 HIEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000462369266 875482677 /nfs/dbraw/zinc/48/26/77/875482677.db2.gz JEVUJZSTCMMRFB-UHFFFAOYSA-N 0 0 422.891 4.099 20 30 HIEDRN COc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1C ZINC000462375914 875487340 /nfs/dbraw/zinc/48/73/40/875487340.db2.gz NOTROGLZCLRKQJ-INIZCTEOSA-N 0 0 415.280 4.491 20 30 HIEDRN N#Cc1cc(N[C@H]2CCc3cc(Br)ccc32)nc2ccc([N+](=O)[O-])cc12 ZINC000462378277 875489557 /nfs/dbraw/zinc/48/95/57/875489557.db2.gz SJUDMWURFBOMRK-KRWDZBQOSA-N 0 0 409.243 4.877 20 30 HIEDRN CC#CCCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1 ZINC000462381645 875494659 /nfs/dbraw/zinc/49/46/59/875494659.db2.gz RKNWQBUALCDCMD-UHFFFAOYSA-N 0 0 402.479 4.000 20 30 HIEDRN CCCOc1ccc(Br)cc1CS(=O)(=O)CCCC(C)(C)C#N ZINC000462398910 875507359 /nfs/dbraw/zinc/50/73/59/875507359.db2.gz VNSVEVIYCQEHHZ-UHFFFAOYSA-N 0 0 402.354 4.483 20 30 HIEDRN O=C([C@@H]1CCCN1CC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000462400524 875508405 /nfs/dbraw/zinc/50/84/05/875508405.db2.gz FHSJFXQGXNTCJG-HOCLYGCPSA-N 0 0 412.349 4.129 20 30 HIEDRN Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000462401758 875510012 /nfs/dbraw/zinc/51/00/12/875510012.db2.gz ROCMKXWEUILVPJ-UHFFFAOYSA-N 0 0 401.875 4.212 20 30 HIEDRN CC(C)C[C@@H](CCC(=O)NC1(C#N)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000468892032 882936979 /nfs/dbraw/zinc/93/69/79/882936979.db2.gz JIGLLQPXFYVGJW-LJQANCHMSA-N 0 0 400.567 4.114 20 30 HIEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[C@H]1c1ccccc1 ZINC000462412650 875519429 /nfs/dbraw/zinc/51/94/29/875519429.db2.gz VCDUQSKKZJTYTF-KBXCAEBGSA-N 0 0 408.445 4.391 20 30 HIEDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000462418041 875524626 /nfs/dbraw/zinc/52/46/26/875524626.db2.gz GLLRIQRSLAVDKF-KBXCAEBGSA-N 0 0 424.444 4.036 20 30 HIEDRN CC(C)OCCOCc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000468893509 882940243 /nfs/dbraw/zinc/94/02/43/882940243.db2.gz HEZFDGKXPFVNJB-UHFFFAOYSA-N 0 0 405.454 4.407 20 30 HIEDRN C[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000462472124 875579471 /nfs/dbraw/zinc/57/94/71/875579471.db2.gz KPWMBLFALXQATB-HNNXBMFYSA-N 0 0 401.304 4.099 20 30 HIEDRN COc1cc(CNC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)ccc1C#N ZINC000462473980 875581360 /nfs/dbraw/zinc/58/13/60/875581360.db2.gz LYCMITSOVHEAKP-UHFFFAOYSA-N 0 0 405.498 4.156 20 30 HIEDRN N#Cc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CCO2)c1 ZINC000462487235 875598162 /nfs/dbraw/zinc/59/81/62/875598162.db2.gz SVEFENLYHAINOM-OAQYLSRUSA-N 0 0 416.437 4.018 20 30 HIEDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000462497338 875610450 /nfs/dbraw/zinc/61/04/50/875610450.db2.gz ZJSQTCCTIVTHED-UHFFFAOYSA-N 0 0 411.914 4.484 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cn1 ZINC000462502796 875617172 /nfs/dbraw/zinc/61/71/72/875617172.db2.gz PGWDRSDGFATCAM-UHFFFAOYSA-N 0 0 424.342 4.065 20 30 HIEDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000462504189 875619876 /nfs/dbraw/zinc/61/98/76/875619876.db2.gz UDBGAUHXONMAIK-UHFFFAOYSA-N 0 0 411.914 4.484 20 30 HIEDRN Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)c1 ZINC000462505841 875621557 /nfs/dbraw/zinc/62/15/57/875621557.db2.gz CRNPBZLCFSOOEP-UHFFFAOYSA-N 0 0 404.919 4.061 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000462537100 875656941 /nfs/dbraw/zinc/65/69/41/875656941.db2.gz UOGREXCYARXDHA-QHCPKHFHSA-N 0 0 406.526 4.487 20 30 HIEDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462541297 875661625 /nfs/dbraw/zinc/66/16/25/875661625.db2.gz ASXQMWGXSPEMEG-LPMFXHHGSA-N 0 0 401.304 4.317 20 30 HIEDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462541296 875662636 /nfs/dbraw/zinc/66/26/36/875662636.db2.gz ASXQMWGXSPEMEG-KSMMKXTCSA-N 0 0 401.304 4.317 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462640324 875751117 /nfs/dbraw/zinc/75/11/17/875751117.db2.gz JBVATJYOUOTAAK-UVFQYZLESA-N 0 0 421.335 4.073 20 30 HIEDRN COc1cc(C#N)ccc1OCCOc1ccc(OCc2nc(C(C)(C)C)no2)cc1 ZINC000462652379 875759743 /nfs/dbraw/zinc/75/97/43/875759743.db2.gz FZVWYJZDPWOYPX-UHFFFAOYSA-N 0 0 423.469 4.284 20 30 HIEDRN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000468907931 882964196 /nfs/dbraw/zinc/96/41/96/882964196.db2.gz KKAXNNUQUYNGSN-OAQYLSRUSA-N 0 0 416.518 4.372 20 30 HIEDRN Cc1ncn(-c2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2)c1C ZINC000462764673 875826030 /nfs/dbraw/zinc/82/60/30/875826030.db2.gz GUOJAJOKSCEEAW-UHFFFAOYSA-N 0 0 415.497 4.155 20 30 HIEDRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3c(Cl)cccc3C#N)cc2)C1 ZINC000462784276 875838708 /nfs/dbraw/zinc/83/87/08/875838708.db2.gz BODCUJNMBFMSFY-OAHLLOKOSA-N 0 0 403.935 4.244 20 30 HIEDRN Cc1cc(C)c2ncc(C#N)c(NCc3cn4cc(Br)ccc4n3)c2c1 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HIEDRN COc1cccc(OC)c1CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000464922089 878245428 /nfs/dbraw/zinc/24/54/28/878245428.db2.gz QDOTXWCXTUPUMI-UHFFFAOYSA-N 0 0 402.450 4.336 20 30 HIEDRN Cc1noc([C@H]2CCCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)n1 ZINC000464923440 878247123 /nfs/dbraw/zinc/24/71/23/878247123.db2.gz XMTHKDVKTZTHHQ-IBGZPJMESA-N 0 0 402.454 4.370 20 30 HIEDRN CCOC(=O)Cc1csc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000464931430 878258129 /nfs/dbraw/zinc/25/81/29/878258129.db2.gz WXQIFAPMGKALBT-UHFFFAOYSA-N 0 0 421.478 4.473 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464939606 878273824 /nfs/dbraw/zinc/27/38/24/878273824.db2.gz JGOYXBGEGGKRHV-GOTSBHOMSA-N 0 0 417.553 4.402 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(I)cc1 ZINC000464950258 878287760 /nfs/dbraw/zinc/28/77/60/878287760.db2.gz PJPDMBRTDFPTRK-ZWKOTPCHSA-N 0 0 416.262 4.203 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1OC(F)F ZINC000464949323 878287811 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C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Oc1cccc(F)c1 ZINC000466142889 879852367 /nfs/dbraw/zinc/85/23/67/879852367.db2.gz PJLVJZWVBMIESZ-LBPRGKRZSA-N 0 0 411.355 4.227 20 30 HIEDRN C=CCn1c(SCc2ccc(C(=O)OC)s2)nnc1-c1ccccc1OC ZINC000466152177 879858208 /nfs/dbraw/zinc/85/82/08/879858208.db2.gz DODIUNQXJYEHFM-UHFFFAOYSA-N 0 0 401.513 4.280 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)Oc2ccccc2F)cc1 ZINC000466164020 879866554 /nfs/dbraw/zinc/86/65/54/879866554.db2.gz IAQFQADDNSCZBI-KRWDZBQOSA-N 0 0 411.477 4.229 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000466172471 879872779 /nfs/dbraw/zinc/87/27/79/879872779.db2.gz YIQJILKTUWYCDL-UHFFFAOYSA-N 0 0 405.477 4.047 20 30 HIEDRN C=CC[C@@H](C)NC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000466270564 880005401 /nfs/dbraw/zinc/00/54/01/880005401.db2.gz MDCZCNDZVQJKKG-IERDGZPVSA-N 0 0 400.544 4.006 20 30 HIEDRN C=C(C)CN(CC)C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000466284548 880025916 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417.541 4.462 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)cc1 ZINC000470824078 885313654 /nfs/dbraw/zinc/31/36/54/885313654.db2.gz DTHRBPJGZDCATO-IBGZPJMESA-N 0 0 423.451 4.485 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccnn3-c3ccccc3)c2)c1 ZINC000470834135 885325602 /nfs/dbraw/zinc/32/56/02/885325602.db2.gz BGZBLDSYOQPZMC-UHFFFAOYSA-N 0 0 407.433 4.249 20 30 HIEDRN CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000470837093 885330260 /nfs/dbraw/zinc/33/02/60/885330260.db2.gz SHGZCMASISLSJR-KRWDZBQOSA-N 0 0 410.315 4.097 20 30 HIEDRN COc1ccc(F)cc1-c1csc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000470838368 885331628 /nfs/dbraw/zinc/33/16/28/885331628.db2.gz CCACQWROTSQKNR-OAHLLOKOSA-N 0 0 406.442 4.150 20 30 HIEDRN CCCCOc1ccc([C@H](C)NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1OC ZINC000470845890 885342033 /nfs/dbraw/zinc/34/20/33/885342033.db2.gz VOVHVXFPFFDDHP-LAUBAEHRSA-N 0 0 405.498 4.305 20 30 HIEDRN CCCc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[nH]c(C)c1C(C)=O ZINC000470846324 885342675 /nfs/dbraw/zinc/34/26/75/885342675.db2.gz AODVSFLPBZRESE-UHFFFAOYSA-N 0 0 420.513 4.314 20 30 HIEDRN CCN(CC)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000470851888 885350819 /nfs/dbraw/zinc/35/08/19/885350819.db2.gz LNDZUBQJOMIQAT-UHFFFAOYSA-N 0 0 404.514 4.368 20 30 HIEDRN CC1(c2ccc(Cl)cc2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000470865680 885355222 /nfs/dbraw/zinc/35/52/22/885355222.db2.gz IQXVHNUSVYGHDJ-UHFFFAOYSA-N 0 0 402.947 4.039 20 30 HIEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1C(N)=O ZINC000470887849 885383279 /nfs/dbraw/zinc/38/32/79/885383279.db2.gz ICLZOSWUWHIRER-UHFFFAOYSA-N 0 0 421.444 4.381 20 30 HIEDRN Cc1nnc(Sc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c(C)c2)s1 ZINC000470892817 885390210 /nfs/dbraw/zinc/39/02/10/885390210.db2.gz OTXLDAQQNWIWNM-QGZVFWFLSA-N 0 0 419.535 4.499 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1 ZINC000470894691 885390694 /nfs/dbraw/zinc/39/06/94/885390694.db2.gz LTDNXIKBHYNOHY-NRFANRHFSA-N 0 0 405.461 4.277 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470947871 885447935 /nfs/dbraw/zinc/44/79/35/885447935.db2.gz OQEOWISUELDSDZ-IUODEOHRSA-N 0 0 413.465 4.209 20 30 HIEDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470972197 885473527 /nfs/dbraw/zinc/47/35/27/885473527.db2.gz QWUMILCKNOZJQA-SFHVURJKSA-N 0 0 422.326 4.193 20 30 HIEDRN CC(C)Oc1cc(Br)cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000470992316 885491599 /nfs/dbraw/zinc/49/15/99/885491599.db2.gz KXAUJCCCKKXDMN-INIZCTEOSA-N 0 0 412.287 4.429 20 30 HIEDRN COc1ccc(-c2cnc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)o2)cc1 ZINC000471005365 885507439 /nfs/dbraw/zinc/50/74/39/885507439.db2.gz JWJROTYQBMEKIG-NRFANRHFSA-N 0 0 422.916 4.386 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000471012449 885514781 /nfs/dbraw/zinc/51/47/81/885514781.db2.gz PTCDFRUTHITTAA-LBPRGKRZSA-N 0 0 412.902 4.316 20 30 HIEDRN Cc1cc(C)c(NC(=O)[C@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)c1 ZINC000471013307 885514986 /nfs/dbraw/zinc/51/49/86/885514986.db2.gz WAYHTPMGLBNREC-UGKGYDQZSA-N 0 0 424.976 4.475 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000471030727 885537408 /nfs/dbraw/zinc/53/74/08/885537408.db2.gz DXQUUQWPPQTXBE-UHFFFAOYSA-N 0 0 423.822 4.263 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2nccs2)CCCC1 ZINC000471037685 885547666 /nfs/dbraw/zinc/54/76/66/885547666.db2.gz LKVNVRFVIFIBKN-OAHLLOKOSA-N 0 0 400.573 4.392 20 30 HIEDRN C=CCc1cc(CNC(=O)c2cc(C)sc2Br)cc(OC)c1OC ZINC000471045264 885557399 /nfs/dbraw/zinc/55/73/99/885557399.db2.gz XZBJHXQORZFKJL-UHFFFAOYSA-N 0 0 410.333 4.495 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000471051399 885565009 /nfs/dbraw/zinc/56/50/09/885565009.db2.gz AFJMAEBXUBCCMR-CQSZACIVSA-N 0 0 422.699 4.396 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(OC)c1OC ZINC000471093032 885623041 /nfs/dbraw/zinc/62/30/41/885623041.db2.gz RDHAXLQHYPZEEI-YWZLYKJASA-N 0 0 420.465 4.014 20 30 HIEDRN CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471105647 885640672 /nfs/dbraw/zinc/64/06/72/885640672.db2.gz CVPVBNZZOOPDIT-OAHLLOKOSA-N 0 0 422.286 4.011 20 30 HIEDRN CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471115556 885650619 /nfs/dbraw/zinc/65/06/19/885650619.db2.gz IYLHKYSORIIIOJ-UHFFFAOYSA-N 0 0 409.423 4.084 20 30 HIEDRN C[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2N1C(=O)c1ccc(C#N)cc1 ZINC000471130327 885668757 /nfs/dbraw/zinc/66/87/57/885668757.db2.gz JIFZJBRGLGOGHD-KRWDZBQOSA-N 0 0 406.445 4.126 20 30 HIEDRN N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000471146345 885691417 /nfs/dbraw/zinc/69/14/17/885691417.db2.gz ZEKXVPJFQLDLOH-RUZDIDTESA-N 0 0 410.521 4.321 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)CCc3nnc(C4CCCC4)o3)s2)cc1 ZINC000471148044 885695334 /nfs/dbraw/zinc/69/53/34/885695334.db2.gz PPVLFUDJPXXULV-UHFFFAOYSA-N 0 0 407.499 4.217 20 30 HIEDRN Cc1ccc(-c2noc([C@@H](C)N3CCN([C@H](C#N)c4ccccc4)CC3)n2)cc1F ZINC000471153505 885703244 /nfs/dbraw/zinc/70/32/44/885703244.db2.gz WNCBTIAREATNKG-DYESRHJHSA-N 0 0 405.477 4.128 20 30 HIEDRN N#Cc1cc(NC(=O)c2cc(F)c(F)cc2I)ccc1Cl ZINC000471161088 885715439 /nfs/dbraw/zinc/71/54/39/885715439.db2.gz PSVVCBQJXWIFMU-UHFFFAOYSA-N 0 0 418.568 4.347 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cc1 ZINC000471162349 885716867 /nfs/dbraw/zinc/71/68/67/885716867.db2.gz VXGXURLYTABXCJ-OAHLLOKOSA-N 0 0 410.264 4.372 20 30 HIEDRN N#CCCN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)CC1CC1 ZINC000471185847 885754208 /nfs/dbraw/zinc/75/42/08/885754208.db2.gz DXOUYGROAGIQIB-UHFFFAOYSA-N 0 0 404.230 4.032 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000471188916 885757315 /nfs/dbraw/zinc/75/73/15/885757315.db2.gz ZLYHSTYGTMZNMF-CYBMUJFWSA-N 0 0 420.296 4.038 20 30 HIEDRN Cc1cccc(CN(C)CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1 ZINC000471198541 885768870 /nfs/dbraw/zinc/76/88/70/885768870.db2.gz JIJLOQLAPXUJTD-UHFFFAOYSA-N 0 0 413.525 4.002 20 30 HIEDRN C=CCn1c(SCc2noc(-c3scnc3C)n2)nnc1-c1ccoc1C ZINC000471212892 885786717 /nfs/dbraw/zinc/78/67/17/885786717.db2.gz NZUYKWDMAKLBKJ-UHFFFAOYSA-N 0 0 400.489 4.140 20 30 HIEDRN N#CCCN(CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)Cc1ccccn1 ZINC000471232948 885806304 /nfs/dbraw/zinc/80/63/04/885806304.db2.gz FYCSQNQCQNUFGZ-UHFFFAOYSA-N 0 0 411.509 4.130 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000471253723 885832517 /nfs/dbraw/zinc/83/25/17/885832517.db2.gz OHUGIGFSLISFDA-GAJHUEQPSA-N 0 0 407.470 4.071 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(Br)ccc3F)C2)n1 ZINC000471262668 885840559 /nfs/dbraw/zinc/84/05/59/885840559.db2.gz YMFHGBMDGLSHJE-CQSZACIVSA-N 0 0 417.282 4.018 20 30 HIEDRN CCC[C@@H]1CCc2ccccc2N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000471262923 885842278 /nfs/dbraw/zinc/84/22/78/885842278.db2.gz YNIORUOROOQODB-HXUWFJFHSA-N 0 0 401.514 4.299 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(c1ccccc1F)C1CCCC1 ZINC000471271819 885850243 /nfs/dbraw/zinc/85/02/43/885850243.db2.gz FYPPBEGZKLQLNG-UHFFFAOYSA-N 0 0 403.461 4.271 20 30 HIEDRN CN(Cc1ccnn1C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000471272958 885852206 /nfs/dbraw/zinc/85/22/06/885852206.db2.gz MFWNHAHNVCVOJA-UHFFFAOYSA-N 0 0 409.877 4.188 20 30 HIEDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000471292181 885877051 /nfs/dbraw/zinc/87/70/51/885877051.db2.gz LQNCXLOMMDZOCR-WPRPVWTQSA-N 0 0 403.298 4.165 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000471294512 885880454 /nfs/dbraw/zinc/88/04/54/885880454.db2.gz ZIKOTMFKRWIVQO-QRQCRPRQSA-N 0 0 407.470 4.390 20 30 HIEDRN C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1nc2ccccc2n1C(F)F ZINC000471296197 885883206 /nfs/dbraw/zinc/88/32/06/885883206.db2.gz FDGWHRFHTZZGEJ-LBPRGKRZSA-N 0 0 407.380 4.449 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(OCC(F)(F)F)cc3)C2)n1 ZINC000471299207 885886785 /nfs/dbraw/zinc/88/67/85/885886785.db2.gz ZUJHINAAVCEYNI-MRXNPFEDSA-N 0 0 418.419 4.058 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)C2)n1 ZINC000471301389 885890035 /nfs/dbraw/zinc/89/00/35/885890035.db2.gz VYOLZIHHHVDJBX-HSZRJFAPSA-N 0 0 415.541 4.035 20 30 HIEDRN CN(C(=O)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000504079501 912986099 /nfs/dbraw/zinc/98/60/99/912986099.db2.gz YOTIUFUXXSJOHJ-XMMPIXPASA-N 0 0 421.497 4.163 20 30 HIEDRN Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)C2)c(C)c1 ZINC000471320668 885912843 /nfs/dbraw/zinc/91/28/43/885912843.db2.gz DOICTDWWZPVTJN-YADHBBJMSA-N 0 0 402.542 4.111 20 30 HIEDRN CCc1cccc(Cc2cnc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s2)c1 ZINC000504080476 912987819 /nfs/dbraw/zinc/98/78/19/912987819.db2.gz ZFOCGQALCWGBPT-JOCHJYFZSA-N 0 0 413.543 4.496 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471354617 885972385 /nfs/dbraw/zinc/97/23/85/885972385.db2.gz 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HIEDRN C=CCOc1ccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1OC ZINC000473272690 888030569 /nfs/dbraw/zinc/03/05/69/888030569.db2.gz WCTLRHBVBIHZCA-UHFFFAOYSA-N 0 0 406.404 4.390 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000473275997 888032135 /nfs/dbraw/zinc/03/21/35/888032135.db2.gz ANYBEQMBTTVCEG-IFMALSPDSA-N 0 0 404.853 4.392 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCc2cccc(-c3ccccc3)c2)c1 ZINC000473372946 888091364 /nfs/dbraw/zinc/09/13/64/888091364.db2.gz ZOLMOTRHECAKAG-UHFFFAOYSA-N 0 0 403.869 4.176 20 30 HIEDRN C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000473383914 888099200 /nfs/dbraw/zinc/09/92/00/888099200.db2.gz CSLYBKONZCCPIZ-BFUOFWGJSA-N 0 0 416.308 4.233 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c1 ZINC000473424558 888143802 /nfs/dbraw/zinc/14/38/02/888143802.db2.gz IVXWOIGMEPRZNV-LJQANCHMSA-N 0 0 402.454 4.007 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)CC2)cc1 ZINC000473431452 888152625 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20 30 HIEDRN Cc1cccc2[nH]cc(CC(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c21 ZINC000473571736 888311511 /nfs/dbraw/zinc/31/15/11/888311511.db2.gz RYYSILZZBCXKAO-OAQYLSRUSA-N 0 0 406.917 4.081 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 ZINC000473571869 888311792 /nfs/dbraw/zinc/31/17/92/888311792.db2.gz PVOLVCAKLYJEEE-KRWDZBQOSA-N 0 0 412.902 4.079 20 30 HIEDRN CNC(=O)c1cc2cc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)ccc2[nH]1 ZINC000473572092 888312985 /nfs/dbraw/zinc/31/29/85/888312985.db2.gz PTWUDVDPSBUSMM-UHFFFAOYSA-N 0 0 409.449 4.395 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(Cc3ccc(F)cc3)CC2)CC1 ZINC000473574380 888315987 /nfs/dbraw/zinc/31/59/87/888315987.db2.gz KQFRECXHEMYFAW-OAQYLSRUSA-N 0 0 411.908 4.211 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1 ZINC000473576171 888317505 /nfs/dbraw/zinc/31/75/05/888317505.db2.gz JABXFPAOXDAABV-FYYLOGMGSA-N 0 0 423.944 4.257 20 30 HIEDRN CC(C)n1ncc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1C1CC1 ZINC000473575973 888317970 /nfs/dbraw/zinc/31/79/70/888317970.db2.gz OJDZCWDMTJUCOR-HXUWFJFHSA-N 0 0 411.937 4.017 20 30 HIEDRN CCn1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000473577827 888319485 /nfs/dbraw/zinc/31/94/85/888319485.db2.gz VFRCYRJHWXZCAB-JOCHJYFZSA-N 0 0 406.917 4.337 20 30 HIEDRN Cc1nc(-c2ccco2)ccc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473578998 888320290 /nfs/dbraw/zinc/32/02/90/888320290.db2.gz UCCWZGAKJXVEIH-NRFANRHFSA-N 0 0 420.900 4.326 20 30 HIEDRN COc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1C1CC1 ZINC000473580468 888322536 /nfs/dbraw/zinc/32/25/36/888322536.db2.gz CKBYCIFGTSDBBR-OAQYLSRUSA-N 0 0 409.917 4.249 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000473584003 888326214 /nfs/dbraw/zinc/32/62/14/888326214.db2.gz UAZNICYLTHEWCD-HXUWFJFHSA-N 0 0 402.325 4.335 20 30 HIEDRN CSc1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1F ZINC000473584912 888326608 /nfs/dbraw/zinc/32/66/08/888326608.db2.gz MDMNYXAUAALAAR-SFHVURJKSA-N 0 0 403.910 4.224 20 30 HIEDRN C=CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000473587195 888329336 /nfs/dbraw/zinc/32/93/36/888329336.db2.gz KMNVMHDAGZTQJC-CYBMUJFWSA-N 0 0 419.382 4.210 20 30 HIEDRN C=CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000473589484 888332578 /nfs/dbraw/zinc/33/25/78/888332578.db2.gz SPFJNQMAHOSFPI-MRXNPFEDSA-N 0 0 420.473 4.083 20 30 HIEDRN Cc1ccc(SC[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000473610101 888351767 /nfs/dbraw/zinc/35/17/67/888351767.db2.gz KVWXNXCHMVJGJT-ZDUSSCGKSA-N 0 0 421.444 4.121 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](CO)c2ccsc2)cc1 ZINC000473658241 888409007 /nfs/dbraw/zinc/40/90/07/888409007.db2.gz HCFGNFQYXUDDAP-SFHVURJKSA-N 0 0 409.467 4.276 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NCc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C ZINC000473677583 888442108 /nfs/dbraw/zinc/44/21/08/888442108.db2.gz CXOSTHBKPGIONP-UHFFFAOYSA-N 0 0 409.534 4.100 20 30 HIEDRN 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COc1c(F)cc(F)cc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000473837289 888676802 /nfs/dbraw/zinc/67/68/02/888676802.db2.gz QIWNOBUSTLVLSC-UHFFFAOYSA-N 0 0 401.413 4.357 20 30 HIEDRN Cc1cc(Br)c(F)cc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000473861538 888716030 /nfs/dbraw/zinc/71/60/30/888716030.db2.gz WGPTWPUJLFMOOB-UHFFFAOYSA-N 0 0 404.239 4.063 20 30 HIEDRN CCCCn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)n1 ZINC000473864856 888720290 /nfs/dbraw/zinc/72/02/90/888720290.db2.gz MOESXOJATHSLCS-UHFFFAOYSA-N 0 0 401.470 4.368 20 30 HIEDRN C=CCNc1ncc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)s1 ZINC000473918156 888800090 /nfs/dbraw/zinc/80/00/90/888800090.db2.gz BJWFWGCJTGLCOX-UHFFFAOYSA-N 0 0 403.511 4.069 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nc[nH]n4)cc3)cc2F)c1 ZINC000473930193 888809774 /nfs/dbraw/zinc/80/97/74/888809774.db2.gz YPDPIEHNRBXLON-UHFFFAOYSA-N 0 0 413.412 4.314 20 30 HIEDRN COc1cc(CN(C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1O ZINC000473934908 888812980 /nfs/dbraw/zinc/81/29/80/888812980.db2.gz 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CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000474192949 889030775 /nfs/dbraw/zinc/03/07/75/889030775.db2.gz UBMAPEMNRMDCAV-HNNXBMFYSA-N 0 0 404.297 4.478 20 30 HIEDRN C=CCN(C(=O)c1cccc([C@@H]2CCCOC2)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000474217866 889057244 /nfs/dbraw/zinc/05/72/44/889057244.db2.gz GKNKKVZLYKKTBF-RPWUZVMVSA-N 0 0 421.537 4.383 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000504537985 913317144 /nfs/dbraw/zinc/31/71/44/913317144.db2.gz FHXYBGWBTCYABV-RUZDIDTESA-N 0 0 419.525 4.301 20 30 HIEDRN Cn1cnc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC000504539163 913319285 /nfs/dbraw/zinc/31/92/85/913319285.db2.gz PCKWHBBZBXHYSE-HSZRJFAPSA-N 0 0 423.476 4.056 20 30 HIEDRN CS(=O)(=O)c1ccc(-c2nc(COc3cc(Cl)ccc3C#N)cs2)cc1 ZINC000474395910 889264537 /nfs/dbraw/zinc/26/45/37/889264537.db2.gz XWJXPOXKHLNOOR-UHFFFAOYSA-N 0 0 404.900 4.318 20 30 HIEDRN N#CC[C@H](CC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000474424676 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Cc1ccc2c(CCNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cn(C)c2c1 ZINC000474686070 889549696 /nfs/dbraw/zinc/54/96/96/889549696.db2.gz IBLBBVICWXPSOY-UHFFFAOYSA-N 0 0 416.525 4.154 20 30 HIEDRN CCOC(=O)C1(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCC1 ZINC000474696180 889556196 /nfs/dbraw/zinc/55/61/96/889556196.db2.gz QPFIDWDGCFWMCT-UHFFFAOYSA-N 0 0 408.454 4.421 20 30 HIEDRN C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000474762285 889621073 /nfs/dbraw/zinc/62/10/73/889621073.db2.gz ADVNTXVLTAEYRQ-GFCCVEGCSA-N 0 0 424.448 4.348 20 30 HIEDRN CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@H](CC#N)c3ccccc3)c2)c1C ZINC000474777371 889634007 /nfs/dbraw/zinc/63/40/07/889634007.db2.gz RJHYSGANLXIGSM-IBGZPJMESA-N 0 0 416.481 4.384 20 30 HIEDRN CC(C)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)n(-c2ncccn2)n1 ZINC000474822920 889676281 /nfs/dbraw/zinc/67/62/81/889676281.db2.gz QMXUDGRAGAQPOZ-UHFFFAOYSA-N 0 0 403.490 4.100 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000474858706 889714366 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N#Cc1cccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC000474959669 889815465 /nfs/dbraw/zinc/81/54/65/889815465.db2.gz IPBNNOBCTHGFOM-HXUWFJFHSA-N 0 0 406.283 4.430 20 30 HIEDRN Cc1nc(CC2CC2)oc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000475027344 889880183 /nfs/dbraw/zinc/88/01/83/889880183.db2.gz BMOUKIRPXJEVHK-ZDUSSCGKSA-N 0 0 408.483 4.015 20 30 HIEDRN COc1cc(OC)c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1Cl ZINC000504657708 913398921 /nfs/dbraw/zinc/39/89/21/913398921.db2.gz HMAKUOIVZRSYLZ-UHFFFAOYSA-N 0 0 417.868 4.223 20 30 HIEDRN Cc1cc(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nn1CCC#N ZINC000504665841 913404886 /nfs/dbraw/zinc/40/48/86/913404886.db2.gz MISSOESLFZKBKB-UHFFFAOYSA-N 0 0 400.895 4.450 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475163403 890029196 /nfs/dbraw/zinc/02/91/96/890029196.db2.gz IKHNEKSHQAOJMW-HXUWFJFHSA-N 0 0 405.502 4.241 20 30 HIEDRN COc1c(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)oc2ccccc21 ZINC000475179287 890048542 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HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000475276887 890172178 /nfs/dbraw/zinc/17/21/78/890172178.db2.gz PRQVJLZBGLGIDO-HXUWFJFHSA-N 0 0 410.514 4.278 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000475317092 890234621 /nfs/dbraw/zinc/23/46/21/890234621.db2.gz JLTLJAIDBWPBJC-UHFFFAOYSA-N 0 0 409.287 4.105 20 30 HIEDRN COc1ccc(-c2n[nH]cc2CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000475358258 890283835 /nfs/dbraw/zinc/28/38/35/890283835.db2.gz LGMXYXSUJGSSDU-JOCHJYFZSA-N 0 0 421.932 4.121 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccn2ccnc2c1 ZINC000475365936 890295102 /nfs/dbraw/zinc/29/51/02/890295102.db2.gz CNVDDDLQKKNLGS-UHFFFAOYSA-N 0 0 417.282 4.134 20 30 HIEDRN CC(C)n1cc2cc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)ccc2n1 ZINC000475384985 890313447 /nfs/dbraw/zinc/31/34/47/890313447.db2.gz CFWBFKSOPBGDKH-UHFFFAOYSA-N 0 0 402.502 4.233 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000475386486 890314732 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Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000505315304 913977764 /nfs/dbraw/zinc/97/77/64/913977764.db2.gz XKMNKWJCCRLKEV-IBGZPJMESA-N 0 0 407.857 4.422 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000480164122 895551567 /nfs/dbraw/zinc/55/15/67/895551567.db2.gz UEXUNOIKWYPTDB-GOSISDBHSA-N 0 0 412.534 4.426 20 30 HIEDRN N#C[C@H](NC(=O)CCCOc1cccnc1)c1ccc(OCc2ccccc2)cc1 ZINC000505319549 913981015 /nfs/dbraw/zinc/98/10/15/913981015.db2.gz GUIPCPMPRJCQOT-QHCPKHFHSA-N 0 0 401.466 4.201 20 30 HIEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3cc(Cl)ccc3OC3CCCC3)n2)cc1 ZINC000480207714 895611908 /nfs/dbraw/zinc/61/19/08/895611908.db2.gz FVLPOYLYYAMALP-UHFFFAOYSA-N 0 0 421.888 4.425 20 30 HIEDRN Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000480212382 895616188 /nfs/dbraw/zinc/61/61/88/895616188.db2.gz HPSYAPMVFXREQI-MRXNPFEDSA-N 0 0 405.376 4.371 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000480233977 895640158 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HIEDRN C=CCn1c(S[C@@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1cccc(OC)c1 ZINC000481401339 896808336 /nfs/dbraw/zinc/80/83/36/896808336.db2.gz LLENQOQDRQHYJW-FUHWJXTLSA-N 0 0 414.575 4.411 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000481401928 896808416 /nfs/dbraw/zinc/80/84/16/896808416.db2.gz MFIUCRNCBCLGQB-UHFFFAOYSA-N 0 0 412.906 4.382 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1CCN(c2ccccc2)C1=O ZINC000481405100 896811453 /nfs/dbraw/zinc/81/14/53/896811453.db2.gz TXKPDMOPLFOXJN-HXUWFJFHSA-N 0 0 420.538 4.249 20 30 HIEDRN N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000505437615 914102086 /nfs/dbraw/zinc/10/20/86/914102086.db2.gz DXJCCHDNZVFZGB-LBPRGKRZSA-N 0 0 413.405 4.105 20 30 HIEDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1C ZINC000481418611 896821674 /nfs/dbraw/zinc/82/16/74/896821674.db2.gz KHECPQDFZSGLCA-VWKPWSFCSA-N 0 0 423.488 4.156 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NCc2cccc3cccnc32)nnc1-c1ccco1 ZINC000481462624 896855529 /nfs/dbraw/zinc/85/55/29/896855529.db2.gz IUDRNLFQEHAHCW-UHFFFAOYSA-N 0 0 419.510 4.071 20 30 HIEDRN Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481523424 896888776 /nfs/dbraw/zinc/88/87/76/896888776.db2.gz YJUDHWQKKRGZSZ-UHFFFAOYSA-N 0 0 417.440 4.470 20 30 HIEDRN N#Cc1cccc(CNC(=O)NCc2ccc(Br)cc2C(F)(F)F)c1 ZINC000481546286 896910818 /nfs/dbraw/zinc/91/08/18/896910818.db2.gz SEMSTCJJMJPZJD-UHFFFAOYSA-N 0 0 412.209 4.339 20 30 HIEDRN C[C@]1(c2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000481578487 896957067 /nfs/dbraw/zinc/95/70/67/896957067.db2.gz CTFXMUAVVXNCGQ-SFHVURJKSA-N 0 0 412.408 4.068 20 30 HIEDRN C=CCn1c(SCCc2cnn(CC)c2)nnc1-c1ccc(Br)cc1 ZINC000505448576 914114365 /nfs/dbraw/zinc/11/43/65/914114365.db2.gz BTZZPZSFCZAGPX-UHFFFAOYSA-N 0 0 418.364 4.445 20 30 HIEDRN C=C(C)[C@@H](NCC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(F)c(F)c1 ZINC000481593097 896972143 /nfs/dbraw/zinc/97/21/43/896972143.db2.gz BTDYGVGJFUPTSV-HSZRJFAPSA-N 0 0 414.496 4.036 20 30 HIEDRN C=C(C)[C@H](NCc1nnnn1-c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000481602941 896982803 /nfs/dbraw/zinc/98/28/03/896982803.db2.gz UXAXKHBQOSATGO-SFHVURJKSA-N 0 0 420.261 4.110 20 30 HIEDRN C=C(C)CN(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000481607224 896987912 /nfs/dbraw/zinc/98/79/12/896987912.db2.gz AEZXTCBPASYEDH-HZPDHXFCSA-N 0 0 403.523 4.147 20 30 HIEDRN COc1ccc(-c2csc([C@@H](C#N)C(=O)Nc3nc4c(s3)CCCC4)n2)cc1 ZINC000505449160 914117435 /nfs/dbraw/zinc/11/74/35/914117435.db2.gz KYGRWWCPUAORQD-AWEZNQCLSA-N 0 0 410.524 4.400 20 30 HIEDRN C=C(C)[C@H](NCC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611827 896992737 /nfs/dbraw/zinc/99/27/37/896992737.db2.gz LGERJLZEAQSZLC-WNSKOXEYSA-N 0 0 418.484 4.456 20 30 HIEDRN C=C(C)[C@@H](NCC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611823 896993129 /nfs/dbraw/zinc/99/31/29/896993129.db2.gz LGERJLZEAQSZLC-IQMFZBJNSA-N 0 0 418.484 4.456 20 30 HIEDRN C=C(C)[C@H](NCC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481611821 896993234 /nfs/dbraw/zinc/99/32/34/896993234.db2.gz LGERJLZEAQSZLC-CMJOXMDJSA-N 0 0 418.484 4.456 20 30 HIEDRN COc1ccc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1C#N ZINC000481617785 897001344 /nfs/dbraw/zinc/00/13/44/897001344.db2.gz XMINPKUGMVJWCA-LJQANCHMSA-N 0 0 405.267 4.042 20 30 HIEDRN COC(=O)c1csc(-c2cccc(CNC(=O)c3ccc(C4(C#N)CC4)cc3)c2)n1 ZINC000481627869 897012414 /nfs/dbraw/zinc/01/24/14/897012414.db2.gz NWRHFABOVTXPSF-UHFFFAOYSA-N 0 0 417.490 4.082 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705954 897095893 /nfs/dbraw/zinc/09/58/93/897095893.db2.gz WWWOBTSYEHMCHI-UUOWRZLLSA-N 0 0 421.566 4.398 20 30 HIEDRN COc1cc(I)c(Cl)cc1CNCc1cc(C#N)cs1 ZINC000481728979 897123719 /nfs/dbraw/zinc/12/37/19/897123719.db2.gz MABKTAQLVMYRGK-UHFFFAOYSA-N 0 0 418.687 4.176 20 30 HIEDRN Cn1cc([C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C(C)(C)C)cn1 ZINC000481737105 897131072 /nfs/dbraw/zinc/13/10/72/897131072.db2.gz JZKCHBLLMYFDCJ-GOSISDBHSA-N 0 0 408.531 4.248 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCC[C@H](OCCC)CC2)nnc1-c1ccco1 ZINC000481760352 897147900 /nfs/dbraw/zinc/14/79/00/897147900.db2.gz IXXKJQPTNOWYIR-KRWDZBQOSA-N 0 0 418.563 4.014 20 30 HIEDRN C[C@@H]1CN([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2cccs2)CCO1 ZINC000481776515 897160696 /nfs/dbraw/zinc/16/06/96/897160696.db2.gz GGDWKDMJJXLWBV-VQIMIIECSA-N 0 0 412.559 4.133 20 30 HIEDRN N#Cc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1OCC(F)(F)F ZINC000481803877 897180781 /nfs/dbraw/zinc/18/07/81/897180781.db2.gz BICMMUFQUDXETR-SFHVURJKSA-N 0 0 420.387 4.309 20 30 HIEDRN N#Cc1ccccc1OCC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000481803894 897180889 /nfs/dbraw/zinc/18/08/89/897180889.db2.gz BNJOAOCIVIRFPJ-UHFFFAOYSA-N 0 0 413.193 4.035 20 30 HIEDRN COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)ccc1OC(F)F ZINC000481805255 897182598 /nfs/dbraw/zinc/18/25/98/897182598.db2.gz HJLVSKLUCPYTMV-UHFFFAOYSA-N 0 0 416.302 4.362 20 30 HIEDRN C=C(C)Cn1c(Sc2cc(C)nc(-c3ccncc3)n2)nnc1-c1ccncc1 ZINC000481824562 897194843 /nfs/dbraw/zinc/19/48/43/897194843.db2.gz MWRMTPXLMAQETG-UHFFFAOYSA-N 0 0 401.499 4.228 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1Sc1nccc(C(F)(F)F)n1 ZINC000481835600 897201886 /nfs/dbraw/zinc/20/18/86/897201886.db2.gz FBSDVNBQKZWESM-UHFFFAOYSA-N 0 0 407.421 4.312 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1Sc1ccc(C#N)cc1[N+](=O)[O-] ZINC000481835969 897203028 /nfs/dbraw/zinc/20/30/28/897203028.db2.gz GAWWVBMFHVULJX-UHFFFAOYSA-N 0 0 407.455 4.283 20 30 HIEDRN C=CCn1c(Sc2cc(C)nc(-c3cccnc3)n2)nnc1-c1cccc(OC)c1 ZINC000481837155 897203567 /nfs/dbraw/zinc/20/35/67/897203567.db2.gz LWYJUJFYZUVVNR-UHFFFAOYSA-N 0 0 416.510 4.451 20 30 HIEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c(F)c(F)cc(F)c1F ZINC000481852093 897218963 /nfs/dbraw/zinc/21/89/63/897218963.db2.gz HYHNLQYCPVVMEP-UHFFFAOYSA-N 0 0 422.300 4.363 20 30 HIEDRN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000481999378 897397089 /nfs/dbraw/zinc/39/70/89/897397089.db2.gz OKDRODRPDAKTGT-QUCCMNQESA-N 0 0 402.947 4.405 20 30 HIEDRN CCOC(=O)Cc1csc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000482017319 897418837 /nfs/dbraw/zinc/41/88/37/897418837.db2.gz RSWYAAHVTWSLTB-UHFFFAOYSA-N 0 0 407.451 4.165 20 30 HIEDRN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000482032699 897445129 /nfs/dbraw/zinc/44/51/29/897445129.db2.gz PRGLXDLPIKQIOE-AWEZNQCLSA-N 0 0 419.312 4.432 20 30 HIEDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1ccc(C#N)cc1 ZINC000482044641 897465710 /nfs/dbraw/zinc/46/57/10/897465710.db2.gz ZYCYEMBMMZXPFB-UHFFFAOYSA-N 0 0 408.310 4.054 20 30 HIEDRN COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000482072185 897507637 /nfs/dbraw/zinc/50/76/37/897507637.db2.gz GKZIBGFSFONSAZ-QGZVFWFLSA-N 0 0 417.465 4.199 20 30 HIEDRN Cc1ccc(C)c(N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)c1 ZINC000482083185 897522862 /nfs/dbraw/zinc/52/28/62/897522862.db2.gz OUQNCOZAOFSUME-UHFFFAOYSA-N 0 0 415.493 4.310 20 30 HIEDRN CC(C)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)S(=O)(=O)C1CCCCC1 ZINC000482105526 897555910 /nfs/dbraw/zinc/55/59/10/897555910.db2.gz OFXRCZQPKDGFKG-QHCPKHFHSA-N 0 0 424.566 4.192 20 30 HIEDRN Cc1onc(-c2ccncc2)c1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000482147756 897610861 /nfs/dbraw/zinc/61/08/61/897610861.db2.gz YNCQCCUVIVOPGX-UHFFFAOYSA-N 0 0 402.454 4.037 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)c2cccc(-c3nc(C)cs3)c2)cc(OC)c1OC ZINC000505492495 914176724 /nfs/dbraw/zinc/17/67/24/914176724.db2.gz AKQRCKULKNCLKR-QGZVFWFLSA-N 0 0 423.494 4.139 20 30 HIEDRN C=C(C)CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 ZINC000482160656 897624155 /nfs/dbraw/zinc/62/41/55/897624155.db2.gz UHAISYLMHBCRBU-UHFFFAOYSA-N 0 0 410.898 4.236 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC(C)(C)c2cccc(F)c2)nnc1-c1ccco1 ZINC000482176564 897644842 /nfs/dbraw/zinc/64/48/42/897644842.db2.gz DLOPHGJAEOEIHZ-UHFFFAOYSA-N 0 0 414.506 4.397 20 30 HIEDRN C=CC[C@H](C)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC000482191293 897662212 /nfs/dbraw/zinc/66/22/12/897662212.db2.gz GHJUKNLPEIMZFE-AWEZNQCLSA-N 0 0 416.934 4.413 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000482206320 897685147 /nfs/dbraw/zinc/68/51/47/897685147.db2.gz GINZVVKFCIRYCF-UHFFFAOYSA-N 0 0 424.954 4.131 20 30 HIEDRN COc1cc(NCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc(OC)c1 ZINC000505498569 914184040 /nfs/dbraw/zinc/18/40/40/914184040.db2.gz LUNUAXGPPKSQNK-UHFFFAOYSA-N 0 0 417.465 4.210 20 30 HIEDRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000482299101 897795021 /nfs/dbraw/zinc/79/50/21/897795021.db2.gz ZYBQKQKNPZEJRY-UHFFFAOYSA-N 0 0 410.417 4.333 20 30 HIEDRN O=C(N[C@@H](CO)c1ccc(F)cc1)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000482318596 897818055 /nfs/dbraw/zinc/81/80/55/897818055.db2.gz BIYIWMOALGTBCM-GJZGRUSLSA-N 0 0 424.316 4.481 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505505074 914193979 /nfs/dbraw/zinc/19/39/79/914193979.db2.gz HZCJKVWKOATEEW-SJLPKXTDSA-N 0 0 418.415 4.417 20 30 HIEDRN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000482341819 897849539 /nfs/dbraw/zinc/84/95/39/897849539.db2.gz HYGGLAYXLGYSPD-FPTDNZKUSA-N 0 0 422.460 4.052 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc2n[nH]cc2c1 ZINC000482343697 897852454 /nfs/dbraw/zinc/85/24/54/897852454.db2.gz OADODBDWYBUOPQ-HNNXBMFYSA-N 0 0 416.485 4.029 20 30 HIEDRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000482391218 897923630 /nfs/dbraw/zinc/92/36/30/897923630.db2.gz SPNOPARHNFAJEW-PWSUYJOCSA-N 0 0 424.263 4.018 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000482415318 897961736 /nfs/dbraw/zinc/96/17/36/897961736.db2.gz OVOZGJWUARUQAN-UHFFFAOYSA-N 0 0 405.479 4.461 20 30 HIEDRN C[C@@H](COCC(F)(F)F)NC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000482429531 897986038 /nfs/dbraw/zinc/98/60/38/897986038.db2.gz ALXKLDDCRDOVML-GZMMTYOYSA-N 0 0 424.288 4.158 20 30 HIEDRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)N[C@H](CO)c1cccc(F)c1 ZINC000482437025 897998179 /nfs/dbraw/zinc/99/81/79/897998179.db2.gz OMDXRABDQTYRHH-HUUCEWRRSA-N 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ZINC000482552789 898143208 /nfs/dbraw/zinc/14/32/08/898143208.db2.gz FIEPOOPNXYLCSE-INIZCTEOSA-N 0 0 402.458 4.498 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c(OC)c1 ZINC000505533355 914228063 /nfs/dbraw/zinc/22/80/63/914228063.db2.gz QGEXKMQRIKVDNG-MRXNPFEDSA-N 0 0 405.281 4.490 20 30 HIEDRN COC(=O)c1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1OC ZINC000482623215 898225911 /nfs/dbraw/zinc/22/59/11/898225911.db2.gz HWAVZCMEAJWJJJ-UHFFFAOYSA-N 0 0 416.433 4.076 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NC[C@H](c1ccccc1OC)N(C)C)c1ccc(F)c(F)c1 ZINC000482627744 898231689 /nfs/dbraw/zinc/23/16/89/898231689.db2.gz HVMGALWJLWXVKX-TZIWHRDSSA-N 0 0 403.473 4.193 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NC[C@@H](c1ccccc1OC)N(C)C)c1ccc(F)c(F)c1 ZINC000482627743 898231889 /nfs/dbraw/zinc/23/18/89/898231889.db2.gz HVMGALWJLWXVKX-PZJWPPBQSA-N 0 0 403.473 4.193 20 30 HIEDRN CC1(C#N)CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)C1 ZINC000482643909 898248572 /nfs/dbraw/zinc/24/85/72/898248572.db2.gz 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ZINC000483574007 899227887 /nfs/dbraw/zinc/22/78/87/899227887.db2.gz KJQVFYOOIKAZCQ-IIBYNOLFSA-N 0 0 411.527 4.304 20 30 HIEDRN CC(C)(C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)c1cc(F)cc(C#N)c1 ZINC000505629491 914329406 /nfs/dbraw/zinc/32/94/06/914329406.db2.gz BSLFGNWCGKCQCC-UHFFFAOYSA-N 0 0 402.429 4.261 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000483624985 899278845 /nfs/dbraw/zinc/27/88/45/899278845.db2.gz OGZPNSFJMVFDCC-QRWLVFNGSA-N 0 0 422.472 4.434 20 30 HIEDRN CC(C)(C)OC(=O)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000483645620 899301373 /nfs/dbraw/zinc/30/13/73/899301373.db2.gz GWCLQRIFKWGYHW-UHFFFAOYSA-N 0 0 415.877 4.254 20 30 HIEDRN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000483683974 899343757 /nfs/dbraw/zinc/34/37/57/899343757.db2.gz RXWFNTSJVYROEZ-LJQANCHMSA-N 0 0 410.445 4.436 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000483700697 899356767 /nfs/dbraw/zinc/35/67/67/899356767.db2.gz 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4.100 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CC(C)(C)C#N)ccc1Cl ZINC000486362577 901531240 /nfs/dbraw/zinc/53/12/40/901531240.db2.gz VMUDKZPABFOLQV-UHFFFAOYSA-N 0 0 419.934 4.434 20 30 HIEDRN C=CCSc1ccccc1C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000486366825 901534461 /nfs/dbraw/zinc/53/44/61/901534461.db2.gz MTEDMWDIYXSBHX-OAHLLOKOSA-N 0 0 414.493 4.228 20 30 HIEDRN CCCc1nc(C)c(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000486371378 901537493 /nfs/dbraw/zinc/53/74/93/901537493.db2.gz YLPAYAWPJBAAIS-UHFFFAOYSA-N 0 0 411.531 4.158 20 30 HIEDRN N#C[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C(F)F)c1cccc(C(F)(F)F)c1 ZINC000486427270 901585675 /nfs/dbraw/zinc/58/56/75/901585675.db2.gz BFNPQMZLBVXWCK-OAHLLOKOSA-N 0 0 421.329 4.218 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1ncc(F)cc1I ZINC000486427905 901587443 /nfs/dbraw/zinc/58/74/43/901587443.db2.gz KGTCZOFHIIKPMG-UHFFFAOYSA-N 0 0 414.243 4.356 20 30 HIEDRN Cc1c2cc(C)ccc2sc1C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000486458093 901618734 /nfs/dbraw/zinc/61/87/34/901618734.db2.gz JHAVYWGGTCMTPA-CMJOXMDJSA-N 0 0 401.491 4.004 20 30 HIEDRN CC(C)[C@@H]1C[C@@H](CC(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c2ccccc21 ZINC000486462666 901622223 /nfs/dbraw/zinc/62/22/23/901622223.db2.gz SCXWOMMJDUNHFY-LRVLZJQJSA-N 0 0 413.521 4.176 20 30 HIEDRN C[C@@H](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1c[nH]c2ccccc21 ZINC000486463361 901624160 /nfs/dbraw/zinc/62/41/60/901624160.db2.gz TUANTHQNSZXCOO-IVMQYODDSA-N 0 0 402.498 4.435 20 30 HIEDRN CC[C@H](NC(=O)Nc1cc(C)n(CCC#N)n1)c1cc(F)cc(Br)c1 ZINC000486504515 901655924 /nfs/dbraw/zinc/65/59/24/901655924.db2.gz CCHQMJTYWQZLLS-HNNXBMFYSA-N 0 0 408.275 4.280 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](COCC3CC3)C2)cc1 ZINC000486527172 901678613 /nfs/dbraw/zinc/67/86/13/901678613.db2.gz KGCUYPVAYKNQHJ-NRFANRHFSA-N 0 0 407.470 4.010 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1Br)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000505912041 914555807 /nfs/dbraw/zinc/55/58/07/914555807.db2.gz IWVOECPVWDPHBC-WMZOPIPTSA-N 0 0 405.267 4.373 20 30 HIEDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000486535399 901686159 /nfs/dbraw/zinc/68/61/59/901686159.db2.gz QMZSRJYWRDVJGM-QGZVFWFLSA-N 0 0 422.529 4.099 20 30 HIEDRN CCc1ccc([C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)cc1 ZINC000505914024 914557556 /nfs/dbraw/zinc/55/75/56/914557556.db2.gz VQPMCRQNTQYSOM-HSZRJFAPSA-N 0 0 403.530 4.226 20 30 HIEDRN CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000486565790 901710869 /nfs/dbraw/zinc/71/08/69/901710869.db2.gz MWKRHYAPURAAHO-UHFFFAOYSA-N 0 0 402.825 4.094 20 30 HIEDRN Cc1cc(C(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)nn1-c1cccc(C#N)c1 ZINC000486638267 901769284 /nfs/dbraw/zinc/76/92/84/901769284.db2.gz JWBPXHNGMDETPV-UHFFFAOYSA-N 0 0 417.900 4.335 20 30 HIEDRN COc1ccc(C2=NN(C(=O)COc3ccc(C#N)cc3F)[C@H](c3ccco3)C2)cc1 ZINC000486659126 901780250 /nfs/dbraw/zinc/78/02/50/901780250.db2.gz AQSUYLFOLKHPAY-FQEVSTJZSA-N 0 0 419.412 4.056 20 30 HIEDRN CC(C)CC(=O)N1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000486712818 901808996 /nfs/dbraw/zinc/80/89/96/901808996.db2.gz HXJZHURBEGIOJE-UHFFFAOYSA-N 0 0 405.498 4.117 20 30 HIEDRN CC(C)Cn1ncc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cnc21 ZINC000505923551 914571062 /nfs/dbraw/zinc/57/10/62/914571062.db2.gz VSVAXIIGNWZEMQ-KRWDZBQOSA-N 0 0 402.285 4.389 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000505923635 914571226 /nfs/dbraw/zinc/57/12/26/914571226.db2.gz WQURRVQUWVGVAA-ZQIUZPCESA-N 0 0 403.265 4.249 20 30 HIEDRN N#C[C@@H](NC(=O)c1cc(Br)sc1Br)c1ccccc1F ZINC000505922725 914569690 /nfs/dbraw/zinc/56/96/90/914569690.db2.gz KXPHNYGQMAXSFH-SNVBAGLBSA-N 0 0 418.085 4.407 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000505923473 914571336 /nfs/dbraw/zinc/57/13/36/914571336.db2.gz USILMPKXTHDNKS-UYAOXDASSA-N 0 0 416.308 4.428 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000486789185 901855132 /nfs/dbraw/zinc/85/51/32/901855132.db2.gz UXWGZCXQODNUPT-UHFFFAOYSA-N 0 0 416.206 4.376 20 30 HIEDRN C[C@@H](NC(=O)CCC(C)(C)C(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000486801953 901863192 /nfs/dbraw/zinc/86/31/92/901863192.db2.gz RTDBAKBCTJTSQV-QZTJIDSGSA-N 0 0 416.525 4.291 20 30 HIEDRN C[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1nc(C(F)(F)F)cs1 ZINC000486820049 901874355 /nfs/dbraw/zinc/87/43/55/901874355.db2.gz JSAFBAMBFKOUEB-ZCFIWIBFSA-N 0 0 422.347 4.359 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NCc2ccnc(Oc3ccccc3F)c2)ccc1Cl ZINC000486836646 901886985 /nfs/dbraw/zinc/88/69/85/901886985.db2.gz XADDHQUTMCEKNC-UHFFFAOYSA-N 0 0 417.849 4.017 20 30 HIEDRN Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C3)cc1 ZINC000486879071 901925973 /nfs/dbraw/zinc/92/59/73/901925973.db2.gz IEJLNWVRLRPVDO-UHFFFAOYSA-N 0 0 402.502 4.199 20 30 HIEDRN CC(=O)c1ccc(OCCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000505928289 914578646 /nfs/dbraw/zinc/57/86/46/914578646.db2.gz LWNBWWYLMJXLES-IBGZPJMESA-N 0 0 404.388 4.448 20 30 HIEDRN Cc1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1 ZINC000505928213 914578833 /nfs/dbraw/zinc/57/88/33/914578833.db2.gz KSRHETFKIIDQRS-MRXNPFEDSA-N 0 0 404.232 4.016 20 30 HIEDRN N#C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000505928120 914579001 /nfs/dbraw/zinc/57/90/01/914579001.db2.gz JQGNAIIVZLZZTB-SFHVURJKSA-N 0 0 402.281 4.110 20 30 HIEDRN CCc1nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)sc1C(=O)OC ZINC000486908026 901953769 /nfs/dbraw/zinc/95/37/69/901953769.db2.gz HKVHIWNYLKNTKB-UHFFFAOYSA-N 0 0 421.478 4.195 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000486957113 901989313 /nfs/dbraw/zinc/98/93/13/901989313.db2.gz KYCOCJHLEBKBOV-QGZVFWFLSA-N 0 0 410.539 4.062 20 30 HIEDRN N#C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1cccc(C(F)(F)F)c1 ZINC000505933412 914586144 /nfs/dbraw/zinc/58/61/44/914586144.db2.gz IVQPXRQLQFSNQJ-AWEZNQCLSA-N 0 0 406.389 4.131 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000505939186 914590846 /nfs/dbraw/zinc/59/08/46/914590846.db2.gz UCKXIQFICOBFKN-RTBURBONSA-N 0 0 419.472 4.176 20 30 HIEDRN O=C(COc1ccccc1Br)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000487027371 902026035 /nfs/dbraw/zinc/02/60/35/902026035.db2.gz MRPXVYLSNNVGBP-UHFFFAOYSA-N 0 0 412.205 4.015 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)s1 ZINC000487053466 902038890 /nfs/dbraw/zinc/03/88/90/902038890.db2.gz KSEUYOSWDSGHTQ-UHFFFAOYSA-N 0 0 421.497 4.300 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000487083706 902051071 /nfs/dbraw/zinc/05/10/71/902051071.db2.gz IAFXBNRJBGHTHO-QFIPXVFZSA-N 0 0 416.525 4.333 20 30 HIEDRN COc1cc(CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000505936914 914589277 /nfs/dbraw/zinc/58/92/77/914589277.db2.gz CEAWGDLQZRKHSQ-MRXNPFEDSA-N 0 0 422.403 4.045 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)C1CC1 ZINC000505937848 914589479 /nfs/dbraw/zinc/58/94/79/914589479.db2.gz IHIMXMHOWIECTQ-SWUCNREESA-N 0 0 401.510 4.031 20 30 HIEDRN Cc1ccnc(N2CCC(c3nc(-c4ccccc4Br)no3)CC2)c1C#N ZINC000487144263 902072752 /nfs/dbraw/zinc/07/27/52/902072752.db2.gz YKMWFEFNKAJNRM-UHFFFAOYSA-N 0 0 424.302 4.458 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)NCc3ccc(Br)cc3Cl)CC2)c1 ZINC000487242905 902114362 /nfs/dbraw/zinc/11/43/62/902114362.db2.gz RMQNHVHLNTYVTJ-UHFFFAOYSA-N 0 0 404.695 4.463 20 30 HIEDRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505942170 914594636 /nfs/dbraw/zinc/59/46/36/914594636.db2.gz GJIGGQZAFSFBGW-MOPGFXCFSA-N 0 0 418.324 4.202 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000505943646 914596564 /nfs/dbraw/zinc/59/65/64/914596564.db2.gz XLZMNYQLEXFXJC-MRXNPFEDSA-N 0 0 421.403 4.016 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000487325970 902153668 /nfs/dbraw/zinc/15/36/68/902153668.db2.gz WYTWQJCGFWDUIY-LZGLPUDESA-N 0 0 414.509 4.316 20 30 HIEDRN COc1cccc(CN(C)C(=O)CNc2ccccc2S[C@@H](C)CC#N)c1OC ZINC000487368986 902165187 /nfs/dbraw/zinc/16/51/87/902165187.db2.gz CFMBITDOGUOZNB-INIZCTEOSA-N 0 0 413.543 4.169 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000487379274 902170394 /nfs/dbraw/zinc/17/03/94/902170394.db2.gz PGZBLOKPCORFAQ-MRXNPFEDSA-N 0 0 408.527 4.258 20 30 HIEDRN COc1ccc(Cn2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cn2)cc1 ZINC000505948236 914600689 /nfs/dbraw/zinc/60/06/89/914600689.db2.gz NWXALSIZTUMWQM-IBGZPJMESA-N 0 0 415.280 4.241 20 30 HIEDRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505947457 914601335 /nfs/dbraw/zinc/60/13/35/914601335.db2.gz IDVXVWYLUDTTFH-ZBFHGGJFSA-N 0 0 410.326 4.190 20 30 HIEDRN N#CCCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000487449967 902214877 /nfs/dbraw/zinc/21/48/77/902214877.db2.gz SIFQRQUTAYUYQH-FYYLOGMGSA-N 0 0 421.516 4.158 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487479162 902221353 /nfs/dbraw/zinc/22/13/53/902221353.db2.gz JELGLTDYXUZESM-UHFFFAOYSA-N 0 0 402.498 4.013 20 30 HIEDRN COC(=O)c1cc(Br)cc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000487529454 902235949 /nfs/dbraw/zinc/23/59/49/902235949.db2.gz ASFCZBLMMKUBEZ-GOSISDBHSA-N 0 0 415.287 4.401 20 30 HIEDRN CCc1ccc([C@H](NC(=O)c2ccc(C#N)s2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000487529087 902235981 /nfs/dbraw/zinc/23/59/81/902235981.db2.gz WMTUWDHRALHRII-NRFANRHFSA-N 0 0 424.547 4.105 20 30 HIEDRN COc1ccc(Cn2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)cc1OC ZINC000487530901 902237222 /nfs/dbraw/zinc/23/72/22/902237222.db2.gz CHGFKUYXYOMJRV-NRFANRHFSA-N 0 0 418.497 4.114 20 30 HIEDRN COc1ccc(Cn2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)cn2)cc1OC ZINC000487603763 902251415 /nfs/dbraw/zinc/25/14/15/902251415.db2.gz FLQVLZNBJOZAIQ-UHFFFAOYSA-N 0 0 422.510 4.013 20 30 HIEDRN Cc1cccc(C(=O)N[C@@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C(C)C)c1 ZINC000505954527 914607327 /nfs/dbraw/zinc/60/73/27/914607327.db2.gz OQPASEHYXJCEDJ-RBUKOAKNSA-N 0 0 417.431 4.149 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000487659705 902280570 /nfs/dbraw/zinc/28/05/70/902280570.db2.gz MSERZXWLOFJSNS-UHFFFAOYSA-N 0 0 422.435 4.142 20 30 HIEDRN C[C@H](Cc1ccncc1)Nc1cc(C#N)c([N+](=O)[O-])c(N[C@@H](C)Cc2ccncc2)c1 ZINC000487685722 902292330 /nfs/dbraw/zinc/29/23/30/902292330.db2.gz HWHMRTADARMFOU-SJORKVTESA-N 0 0 416.485 4.343 20 30 HIEDRN COC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cc1C ZINC000487709762 902305938 /nfs/dbraw/zinc/30/59/38/902305938.db2.gz GHQWUAPPDBLXBH-UHFFFAOYSA-N 0 0 416.481 4.428 20 30 HIEDRN N#C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 ZINC000505959928 914616300 /nfs/dbraw/zinc/61/63/00/914616300.db2.gz KRRAJIJBHNMRPY-MRXNPFEDSA-N 0 0 401.253 4.357 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000487783840 902364057 /nfs/dbraw/zinc/36/40/57/902364057.db2.gz QSNZLTMIXDMWGV-KKSFZXQISA-N 0 0 414.933 4.415 20 30 HIEDRN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487819269 902386373 /nfs/dbraw/zinc/38/63/73/902386373.db2.gz PSKLQLPMZNNTGO-UHFFFAOYSA-N 0 0 405.321 4.320 20 30 HIEDRN CC(C)(C)C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1 ZINC000487823185 902387592 /nfs/dbraw/zinc/38/75/92/902387592.db2.gz OWNFYVNGHCWCLU-UXHICEINSA-N 0 0 410.493 4.433 20 30 HIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000487838420 902398651 /nfs/dbraw/zinc/39/86/51/902398651.db2.gz HTHGUCGSWJTYFY-UHFFFAOYSA-N 0 0 424.806 4.116 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1Br ZINC000487856730 902408611 /nfs/dbraw/zinc/40/86/11/902408611.db2.gz NKZOWFKNTZOFMH-QZTJIDSGSA-N 0 0 400.276 4.363 20 30 HIEDRN COCCCOc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OC ZINC000487859830 902411613 /nfs/dbraw/zinc/41/16/13/902411613.db2.gz SWWRUHLPSPRSHR-RTWAWAEBSA-N 0 0 423.513 4.414 20 30 HIEDRN COCCCOc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000487873502 902419706 /nfs/dbraw/zinc/41/97/06/902419706.db2.gz FHBSOOGEMKTBMI-UHFFFAOYSA-N 0 0 421.497 4.303 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1F ZINC000505964319 914623698 /nfs/dbraw/zinc/62/36/98/914623698.db2.gz AZBCTWWCMVUTEX-WZONZLPQSA-N 0 0 415.468 4.212 20 30 HIEDRN N#Cc1ccc(NC(=O)NC2(c3cccc(F)c3)CCOCC2)cc1Br ZINC000487880364 902424900 /nfs/dbraw/zinc/42/49/00/902424900.db2.gz MSRMPTRPBUWFPV-UHFFFAOYSA-N 0 0 418.266 4.287 20 30 HIEDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000487890235 902431425 /nfs/dbraw/zinc/43/14/25/902431425.db2.gz XPOBQQNXYFHIJJ-QHCPKHFHSA-N 0 0 407.514 4.066 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000487891001 902433001 /nfs/dbraw/zinc/43/30/01/902433001.db2.gz BTOKGGUDNOZJCH-UHFFFAOYSA-N 0 0 402.498 4.149 20 30 HIEDRN CCc1cccc(NC(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1CC ZINC000487897626 902437288 /nfs/dbraw/zinc/43/72/88/902437288.db2.gz NHQKSIRERWCNSJ-UHFFFAOYSA-N 0 0 419.525 4.128 20 30 HIEDRN Cc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)nnn1-c1cccc(C)c1 ZINC000505964764 914625412 /nfs/dbraw/zinc/62/54/12/914625412.db2.gz FFQRVOUGXJPNAR-KRWDZBQOSA-N 0 0 400.269 4.186 20 30 HIEDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 ZINC000487913004 902447337 /nfs/dbraw/zinc/44/73/37/902447337.db2.gz NIJOFYQLSHPFCG-LIRRHRJNSA-N 0 0 415.415 4.357 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1nccn1-c1ccccc1 ZINC000487925160 902457429 /nfs/dbraw/zinc/45/74/29/902457429.db2.gz VUTHFGRZJIITQT-ZDUSSCGKSA-N 0 0 410.275 4.389 20 30 HIEDRN CC(C)(NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000487925357 902458210 /nfs/dbraw/zinc/45/82/10/902458210.db2.gz WJELUXHIIUNOLO-UHFFFAOYSA-N 0 0 403.236 4.286 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1Br ZINC000487937658 902467244 /nfs/dbraw/zinc/46/72/44/902467244.db2.gz ZVFWIVVJQAVLFI-QGZVFWFLSA-N 0 0 404.239 4.065 20 30 HIEDRN CCOC(=O)Cc1cccc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487937036 902467722 /nfs/dbraw/zinc/46/77/22/902467722.db2.gz VDJDVQUDTRQIRD-UHFFFAOYSA-N 0 0 402.248 4.070 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)cc1 ZINC000487941558 902471664 /nfs/dbraw/zinc/47/16/64/902471664.db2.gz FINZNPOOAXAVTQ-UHFFFAOYSA-N 0 0 403.438 4.051 20 30 HIEDRN CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487971491 902498241 /nfs/dbraw/zinc/49/82/41/902498241.db2.gz VWWDQWBWOAQGCY-UHFFFAOYSA-N 0 0 413.319 4.453 20 30 HIEDRN Cc1ccc(-n2cnc3c2CCN(CC(=O)c2cn(CCC#N)c4ccccc24)C3)cc1 ZINC000487984282 902506636 /nfs/dbraw/zinc/50/66/36/902506636.db2.gz YSJQALCCUJSQPE-UHFFFAOYSA-N 0 0 423.520 4.290 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000505968802 914631548 /nfs/dbraw/zinc/63/15/48/914631548.db2.gz XJYRUYUSBIUPAW-UHFFFAOYSA-N 0 0 418.472 4.371 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCNC(=O)c2cccs2)cc1 ZINC000487996009 902517481 /nfs/dbraw/zinc/51/74/81/902517481.db2.gz XVYYWBVOMWYVAG-UHFFFAOYSA-N 0 0 421.497 4.108 20 30 HIEDRN CC(C)NC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000505971008 914631897 /nfs/dbraw/zinc/63/18/97/914631897.db2.gz MMROWVIGMORTJS-UHFFFAOYSA-N 0 0 423.492 4.082 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Br ZINC000487997315 902519905 /nfs/dbraw/zinc/51/99/05/902519905.db2.gz VOOHVCBOFPWSDR-UHFFFAOYSA-N 0 0 415.247 4.425 20 30 HIEDRN C[C@@H](CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](C)CO)c1ccccc1 ZINC000488009670 902528769 /nfs/dbraw/zinc/52/87/69/902528769.db2.gz UVFIUGRUPHUGRL-GJZGRUSLSA-N 0 0 416.319 4.339 20 30 HIEDRN C[C@H](NC(=O)c1cccs1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000488013344 902532607 /nfs/dbraw/zinc/53/26/07/902532607.db2.gz HRQDZTDLCZQGPZ-INIZCTEOSA-N 0 0 421.497 4.106 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2ccc3c(c2)CCO3)cc1 ZINC000488013492 902534819 /nfs/dbraw/zinc/53/48/19/902534819.db2.gz IHPLXHLMHCLBSN-UHFFFAOYSA-N 0 0 400.453 4.404 20 30 HIEDRN CCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000488024599 902542560 /nfs/dbraw/zinc/54/25/60/902542560.db2.gz PKBRUQNKJYQUBJ-AWEZNQCLSA-N 0 0 403.404 4.434 20 30 HIEDRN C=CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000488023874 902543113 /nfs/dbraw/zinc/54/31/13/902543113.db2.gz NORRQVAJYVYOFB-PBHICJAKSA-N 0 0 424.471 4.288 20 30 HIEDRN Cc1cc2ncc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c(C)n2n1 ZINC000488025732 902544787 /nfs/dbraw/zinc/54/47/87/902544787.db2.gz VNNNEZWCDPBMRI-UHFFFAOYSA-N 0 0 413.456 4.200 20 30 HIEDRN N#C[C@@H](NC(=O)c1ncccc1OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000505972637 914635654 /nfs/dbraw/zinc/63/56/54/914635654.db2.gz YZBOIHZJXBPZIZ-GFCCVEGCSA-N 0 0 403.282 4.036 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000505972177 914635882 /nfs/dbraw/zinc/63/58/82/914635882.db2.gz VFQVCJIUCQXXBU-QGZVFWFLSA-N 0 0 416.224 4.082 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000488085176 902590961 /nfs/dbraw/zinc/59/09/61/902590961.db2.gz SBAYYAJOOGQOKX-QRWLVFNGSA-N 0 0 406.511 4.358 20 30 HIEDRN Cc1cnc(C(C)(C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)s1 ZINC000505977538 914640242 /nfs/dbraw/zinc/64/02/42/914640242.db2.gz WPKHRPBCFKERJF-UHFFFAOYSA-N 0 0 420.494 4.106 20 30 HIEDRN COc1cc(C)cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C ZINC000488106686 902609977 /nfs/dbraw/zinc/60/99/77/902609977.db2.gz XVMNPQLTDVCKCL-UHFFFAOYSA-N 0 0 420.469 4.287 20 30 HIEDRN COc1ccc(-n2c(Sc3ccc(C#N)c(C)n3)nnc2-c2ccccn2)cc1 ZINC000488115022 902615394 /nfs/dbraw/zinc/61/53/94/902615394.db2.gz LTACXDCBVZMSOB-UHFFFAOYSA-N 0 0 400.467 4.064 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C2)nc1 ZINC000488161399 902654733 /nfs/dbraw/zinc/65/47/33/902654733.db2.gz LLLRLGOOOJKWNG-WBVHZDCISA-N 0 0 414.918 4.006 20 30 HIEDRN Cc1ccc(C2(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000505980840 914646066 /nfs/dbraw/zinc/64/60/66/914646066.db2.gz GCSKGGXHFHVBBA-LJQANCHMSA-N 0 0 402.416 4.443 20 30 HIEDRN CC(C)(C(=O)N1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1)c1ccccc1 ZINC000488242005 902716639 /nfs/dbraw/zinc/71/66/39/902716639.db2.gz NAVZJLGXZUJMRD-UHFFFAOYSA-N 0 0 420.463 4.011 20 30 HIEDRN CC(C)CCn1c2nnc(SCc3cccc(F)c3C#N)n2c2ccccc2c1=O ZINC000488245982 902719864 /nfs/dbraw/zinc/71/98/64/902719864.db2.gz CVRIFEICNKOIHE-UHFFFAOYSA-N 0 0 421.501 4.393 20 30 HIEDRN C[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1Cl ZINC000488246330 902721669 /nfs/dbraw/zinc/72/16/69/902721669.db2.gz HPGSGYDSKCMORE-MRXNPFEDSA-N 0 0 419.916 4.353 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000488249812 902722864 /nfs/dbraw/zinc/72/28/64/902722864.db2.gz OIOHCDBPBLDQRZ-QGZVFWFLSA-N 0 0 400.500 4.455 20 30 HIEDRN Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C(C)C ZINC000488251006 902724353 /nfs/dbraw/zinc/72/43/53/902724353.db2.gz LGWCLZFSHGXQND-LBPRGKRZSA-N 0 0 403.577 4.489 20 30 HIEDRN Cc1ccc2ncc(C#N)c(OCC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)c2c1 ZINC000488278417 902741822 /nfs/dbraw/zinc/74/18/22/902741822.db2.gz MYELUBLSLWEBNN-UHFFFAOYSA-N 0 0 423.476 4.496 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cn(C(C)C)nn1 ZINC000488281970 902745198 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CCC[C@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000506007912 914679245 /nfs/dbraw/zinc/67/92/45/914679245.db2.gz LWEOVCZVKSYVNQ-QHCPKHFHSA-N 0 0 418.541 4.015 20 30 HIEDRN CC(C)(C)n1ncc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1-c1ccccc1 ZINC000488788629 903000721 /nfs/dbraw/zinc/00/07/21/903000721.db2.gz XXCNKTUPODBCNU-JOCHJYFZSA-N 0 0 414.509 4.390 20 30 HIEDRN C[C@H](Sc1nc(C(F)(F)F)ccc1C#N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000488788067 903001064 /nfs/dbraw/zinc/00/10/64/903001064.db2.gz XYQNCKDILNQJOC-NSHDSACASA-N 0 0 423.416 4.253 20 30 HIEDRN COCCN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1CCO[C@H]1C ZINC000488811908 903017376 /nfs/dbraw/zinc/01/73/76/903017376.db2.gz DVZDTDNPDHFBPS-KXBFYZLASA-N 0 0 414.889 4.270 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000488836676 903033810 /nfs/dbraw/zinc/03/38/10/903033810.db2.gz JUHJOTLQCHLPQG-INIZCTEOSA-N 0 0 411.424 4.397 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 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401.488 4.169 20 30 HIEDRN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489128326 903218293 /nfs/dbraw/zinc/21/82/93/903218293.db2.gz KTPAIINREFIHGS-CQSZACIVSA-N 0 0 422.348 4.186 20 30 HIEDRN Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000489152040 903234035 /nfs/dbraw/zinc/23/40/35/903234035.db2.gz IRFNVBRFPVZABK-XXBNENTESA-N 0 0 406.505 4.425 20 30 HIEDRN C=C(CNC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)c1ccccc1 ZINC000489156950 903235881 /nfs/dbraw/zinc/23/58/81/903235881.db2.gz VGDDBSFXLRFZAK-HSZRJFAPSA-N 0 0 405.542 4.184 20 30 HIEDRN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000489282559 903305494 /nfs/dbraw/zinc/30/54/94/903305494.db2.gz PUDVNCAXPGJPTP-HSZRJFAPSA-N 0 0 418.541 4.013 20 30 HIEDRN COCCc1nnc(-c2cccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2)o1 ZINC000489347000 903341045 /nfs/dbraw/zinc/34/10/45/903341045.db2.gz XHOOJNPUXCFGNV-HNNXBMFYSA-N 0 0 422.510 4.430 20 30 HIEDRN C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000489401069 903368523 /nfs/dbraw/zinc/36/85/23/903368523.db2.gz XBBGMYKDPCYCOJ-OAHLLOKOSA-N 0 0 413.474 4.209 20 30 HIEDRN C=CCC[C@@H](C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 ZINC000489432812 903382367 /nfs/dbraw/zinc/38/23/67/903382367.db2.gz RIGLORDLDMJVBU-XMMPIXPASA-N 0 0 404.554 4.476 20 30 HIEDRN C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1-c1ccncc1 ZINC000489436388 903383990 /nfs/dbraw/zinc/38/39/90/903383990.db2.gz KACOOWQRVQUIMZ-INIZCTEOSA-N 0 0 421.526 4.238 20 30 HIEDRN N#Cc1cccc(OCCSc2nnc(-c3ccccn3)n2Cc2ccco2)c1 ZINC000489444159 903386470 /nfs/dbraw/zinc/38/64/70/903386470.db2.gz DSVDWCHMRGTEJF-UHFFFAOYSA-N 0 0 403.467 4.024 20 30 HIEDRN C=C[C@H]1CCCCN1CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000489447663 903387930 /nfs/dbraw/zinc/38/79/30/903387930.db2.gz QQMFJXQEVYRDSB-LBPRGKRZSA-N 0 0 416.157 4.499 20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)cc1 ZINC000489559957 903463706 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C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NCC1CCCCC1 ZINC000489668749 903530017 /nfs/dbraw/zinc/53/00/17/903530017.db2.gz QZHOFPQGNZDKGR-KRWDZBQOSA-N 0 0 414.575 4.220 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)C2)n1 ZINC000489666849 903530485 /nfs/dbraw/zinc/53/04/85/903530485.db2.gz PNPXVVIXUTVWGP-PMVMPFDFSA-N 0 0 402.542 4.321 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 ZINC000489698669 903546031 /nfs/dbraw/zinc/54/60/31/903546031.db2.gz PMIVLTPAQBGIRE-CQSZACIVSA-N 0 0 415.287 4.469 20 30 HIEDRN N#Cc1cccc(COc2cccc(N[C@@H]3CCN(c4ccccc4F)C3=O)c2)c1 ZINC000489708900 903551041 /nfs/dbraw/zinc/55/10/41/903551041.db2.gz XGEUNBDKDRMKBO-JOCHJYFZSA-N 0 0 401.441 4.494 20 30 HIEDRN C=CCC[C@H](NC(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1)c1ccccc1 ZINC000489712861 903554079 /nfs/dbraw/zinc/55/40/79/903554079.db2.gz LCLSWVBHRYBDDQ-NRFANRHFSA-N 0 0 405.498 4.386 20 30 HIEDRN CC(C)n1ncc2cc(S(=O)(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)ccc21 ZINC000489751719 903579637 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Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cccc1N1CCNC1=O ZINC000489918875 903674246 /nfs/dbraw/zinc/67/42/46/903674246.db2.gz PMSBVIHWAQUFOD-UHFFFAOYSA-N 0 0 405.502 4.086 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3SCCc4ccccc43)CC2)c1 ZINC000489923616 903679135 /nfs/dbraw/zinc/67/91/35/903679135.db2.gz CZNWVAFADNURTK-JOCHJYFZSA-N 0 0 407.539 4.142 20 30 HIEDRN COc1cc(Br)ccc1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000490017599 903726286 /nfs/dbraw/zinc/72/62/86/903726286.db2.gz CINUDSJEFAGLPL-UHFFFAOYSA-N 0 0 417.303 4.195 20 30 HIEDRN C[C@@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490042808 903737980 /nfs/dbraw/zinc/73/79/80/903737980.db2.gz JTTJTBWGXLMUIY-BDAKNGLRSA-N 0 0 402.829 4.365 20 30 HIEDRN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490051623 903744169 /nfs/dbraw/zinc/74/41/69/903744169.db2.gz CJCLOXMEHRFTJR-KRWDZBQOSA-N 0 0 403.486 4.156 20 30 HIEDRN Cc1cc(Br)c2c(c1)CN(C(=O)CSc1ccc(C#N)cc1)CC2 ZINC000490059695 903749637 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C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1F ZINC000499478059 908811970 /nfs/dbraw/zinc/81/19/70/908811970.db2.gz GPCIXMFXGJFWST-ZFWWWQNUSA-N 0 0 402.420 4.005 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)Nc1ccccc1 ZINC000499479967 908812686 /nfs/dbraw/zinc/81/26/86/908812686.db2.gz FYXPZLYRTOYANY-UHFFFAOYSA-N 0 0 401.491 4.468 20 30 HIEDRN CCC[C@@]1(C(F)(F)F)CCCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000499511280 908823359 /nfs/dbraw/zinc/82/33/59/908823359.db2.gz ZSUHZEGGDVWGNZ-XLIONFOSSA-N 0 0 408.468 4.202 20 30 HIEDRN CN(C)C(=O)c1ccc(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000499517219 908825646 /nfs/dbraw/zinc/82/56/46/908825646.db2.gz KWAADVIPRSWTRI-UHFFFAOYSA-N 0 0 407.417 4.010 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cnn(CC(C)C)c1C1CC1)c1ccc(F)c(F)c1 ZINC000499562526 908841159 /nfs/dbraw/zinc/84/11/59/908841159.db2.gz DAACDEVKJSUOQF-LJQANCHMSA-N 0 0 416.472 4.067 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)cc2)cc1 ZINC000499561603 908841183 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OCFJHCOSAWECQV-LJQANCHMSA-N 0 0 419.529 4.330 20 30 HIEDRN CCCOc1c(Br)cc(C(=O)NCC#Cc2cccc(F)c2)cc1OC ZINC000513209454 921626536 /nfs/dbraw/zinc/62/65/36/921626536.db2.gz CDNDGNNRMHHKTP-UHFFFAOYSA-N 0 0 420.278 4.167 20 30 HIEDRN O=C(CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F)NCC(F)(F)F ZINC000502152968 911074716 /nfs/dbraw/zinc/07/47/16/911074716.db2.gz DIXYOXLJCKXCNA-UHFFFAOYSA-N 0 0 424.313 4.070 20 30 HIEDRN C=CCN(Cc1cc(=O)n2cc(C)ccc2n1)Cc1cc(Br)ccc1F ZINC000502184095 911113369 /nfs/dbraw/zinc/11/33/69/911113369.db2.gz DDDVHSYHLBLSRJ-UHFFFAOYSA-N 0 0 416.294 4.093 20 30 HIEDRN COC(=O)[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)c2ccccc21 ZINC000513219296 921634811 /nfs/dbraw/zinc/63/48/11/921634811.db2.gz SZWKEIOMWNGLCX-OAQYLSRUSA-N 0 0 412.445 4.054 20 30 HIEDRN C=CCN(CCc1nc2ccccc2c(=O)[nH]1)Cc1cc(Br)ccc1F ZINC000502197562 911141078 /nfs/dbraw/zinc/14/10/78/911141078.db2.gz UAAUUTZXVKZNDI-UHFFFAOYSA-N 0 0 416.294 4.468 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 ZINC000502270488 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CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000502833537 911845450 /nfs/dbraw/zinc/84/54/50/911845450.db2.gz MPTDHUASCOLMEM-GOSISDBHSA-N 0 0 414.292 4.447 20 30 HIEDRN C=CCSc1ccccc1NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000502869515 911873551 /nfs/dbraw/zinc/87/35/51/911873551.db2.gz XAEZCUSHNXVNBX-UHFFFAOYSA-N 0 0 409.898 4.443 20 30 HIEDRN CCCCCn1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(C)n1 ZINC000502889010 911885334 /nfs/dbraw/zinc/88/53/34/911885334.db2.gz UFXVMGKLVQGUGH-UHFFFAOYSA-N 0 0 406.486 4.355 20 30 HIEDRN COc1ccc(CCNC(=O)c2cccc(COc3ccccc3C#N)c2)c(OC)c1 ZINC000513302094 921698520 /nfs/dbraw/zinc/69/85/20/921698520.db2.gz RCIXTGCODUGQST-UHFFFAOYSA-N 0 0 416.477 4.127 20 30 HIEDRN C=CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000502943888 911928998 /nfs/dbraw/zinc/92/89/98/911928998.db2.gz DOUGMKIYDNVMBP-UHFFFAOYSA-N 0 0 400.504 4.341 20 30 HIEDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000502988744 911966456 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CC(=O)c1sc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)nc1-c1ccccc1 ZINC000540613106 939320487 /nfs/dbraw/zinc/32/04/87/939320487.db2.gz ZSNAPIZEPNGQOJ-UHFFFAOYSA-N 0 0 413.462 4.322 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000540637295 939326240 /nfs/dbraw/zinc/32/62/40/939326240.db2.gz RWWIJTNMQYDHSA-NRFANRHFSA-N 0 0 415.497 4.339 20 30 HIEDRN N#CC1(c2ccc(C(=O)Nc3cc(Br)ccc3-n3cccn3)cc2)CC1 ZINC000540722896 939349450 /nfs/dbraw/zinc/34/94/50/939349450.db2.gz ABGHPPHZVGWWOO-UHFFFAOYSA-N 0 0 407.271 4.442 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cn(-c3cccc(Cl)c3F)nn2)cc1 ZINC000540725939 939349688 /nfs/dbraw/zinc/34/96/88/939349688.db2.gz JZZNEABQOLANEY-UHFFFAOYSA-N 0 0 413.840 4.019 20 30 HIEDRN COCCOc1cc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)ccn1 ZINC000540736675 939353684 /nfs/dbraw/zinc/35/36/84/939353684.db2.gz LOPMCDPIMURRFH-UHFFFAOYSA-N 0 0 419.456 4.273 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540741147 939354693 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400.482 4.237 20 30 HIEDRN C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542930546 939880564 /nfs/dbraw/zinc/88/05/64/939880564.db2.gz OTVRKLOXTQTRCL-MRXNPFEDSA-N 0 0 408.461 4.294 20 30 HIEDRN N#Cc1cccc(-c2c[nH]c(CNC(=O)Nc3ncc(-c4ccccc4)s3)n2)c1 ZINC000542933762 939881362 /nfs/dbraw/zinc/88/13/62/939881362.db2.gz UVLYXTBGTCRRDU-UHFFFAOYSA-N 0 0 400.467 4.394 20 30 HIEDRN N#Cc1ccc(-n2ccc(NCC(=O)Nc3ccccc3C(F)(F)F)n2)c(Cl)c1 ZINC000542935363 939881628 /nfs/dbraw/zinc/88/16/28/939881628.db2.gz GKMMVHBPUMLPBF-UHFFFAOYSA-N 0 0 419.794 4.467 20 30 HIEDRN COc1ccc(CCNC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1OC ZINC000542936374 939881831 /nfs/dbraw/zinc/88/18/31/939881831.db2.gz NCFKUBSZKGWWTE-UHFFFAOYSA-N 0 0 424.444 4.045 20 30 HIEDRN CC(C)CO[C@@H](C)c1noc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)n1 ZINC000542942967 939882796 /nfs/dbraw/zinc/88/27/96/939882796.db2.gz YACFXYJDDHSUFO-ZDUSSCGKSA-N 0 0 400.870 4.126 20 30 HIEDRN Cc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cnn1-c1cccc(C)c1 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C=CCOc1ccc(-c2nc(CN(C(=O)c3ccccc3)C3CC3)no2)cc1OC ZINC000547149778 941011778 /nfs/dbraw/zinc/01/17/78/941011778.db2.gz BGFCKSOVDACWBE-UHFFFAOYSA-N 0 0 405.454 4.115 20 30 HIEDRN N#CCCn1cc(/C=C/c2nc(-c3cccc(-n4cncn4)c3)no2)c2ccccc21 ZINC000547168106 941018937 /nfs/dbraw/zinc/01/89/37/941018937.db2.gz XPKRPNJKUFUMBH-MDZDMXLPSA-N 0 0 407.437 4.356 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000547281494 941051320 /nfs/dbraw/zinc/05/13/20/941051320.db2.gz AYQJXXINRPDCAM-OAQYLSRUSA-N 0 0 410.905 4.227 20 30 HIEDRN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000547283754 941051818 /nfs/dbraw/zinc/05/18/18/941051818.db2.gz NJOJUYZYDODHTC-QFIPXVFZSA-N 0 0 416.481 4.338 20 30 HIEDRN N#Cc1cc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)ccc1Cl ZINC000547331150 941056438 /nfs/dbraw/zinc/05/64/38/941056438.db2.gz GEZCWSNZNPXHRR-UHFFFAOYSA-N 0 0 405.889 4.373 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC3(c4ccc(Cl)c(Cl)c4)CC3)CC2)o1 ZINC000547408265 941061089 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/nfs/dbraw/zinc/10/62/14/942106214.db2.gz AHIALCFFKPDLDH-QGZVFWFLSA-N 0 0 420.513 4.178 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1nccn1-c1ccccc1 ZINC000554334998 942106395 /nfs/dbraw/zinc/10/63/95/942106395.db2.gz BUNVCROJNSKNLM-SFHVURJKSA-N 0 0 415.497 4.058 20 30 HIEDRN C=CCc1cc(CNC(=O)N[C@@H](C)c2nccn2-c2ccccc2)cc(OC)c1OC ZINC000554334419 942106414 /nfs/dbraw/zinc/10/64/14/942106414.db2.gz AHIALCFFKPDLDH-KRWDZBQOSA-N 0 0 420.513 4.178 20 30 HIEDRN C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000554365180 942115501 /nfs/dbraw/zinc/11/55/01/942115501.db2.gz ACMLADAFSASFQK-BLVKFPJESA-N 0 0 408.458 4.388 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 ZINC000554383251 942120959 /nfs/dbraw/zinc/12/09/59/942120959.db2.gz PFOLGXSWPBUJND-UHFFFAOYSA-N 0 0 411.550 4.141 20 30 HIEDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000554418468 942134775 /nfs/dbraw/zinc/13/47/75/942134775.db2.gz BLFPSOBATZADGI-TZIWHRDSSA-N 0 0 406.486 4.165 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N2CCOC[C@H]2CC(F)F)cc1 ZINC000554423218 942137324 /nfs/dbraw/zinc/13/73/24/942137324.db2.gz YDKMAEVRRLGJCD-GOSISDBHSA-N 0 0 415.440 4.220 20 30 HIEDRN C=CCn1c(SCc2ccc(Cl)cn2)nnc1[C@H]1COc2ccccc2O1 ZINC000554426066 942138531 /nfs/dbraw/zinc/13/85/31/942138531.db2.gz BRVZJWQOIUETNA-QGZVFWFLSA-N 0 0 400.891 4.317 20 30 HIEDRN Cn1ccnc1[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CC1 ZINC000554443015 942145232 /nfs/dbraw/zinc/14/52/32/942145232.db2.gz RQDZONMSSMZDOF-OAQYLSRUSA-N 0 0 419.460 4.283 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000554469700 942153854 /nfs/dbraw/zinc/15/38/54/942153854.db2.gz CEFVOANLNUBVGW-UHFFFAOYSA-N 0 0 410.477 4.034 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1OC)c1cccc2ccccc21 ZINC000554490829 942159121 /nfs/dbraw/zinc/15/91/21/942159121.db2.gz ISKHQUUVCLHECR-HXUWFJFHSA-N 0 0 403.438 4.146 20 30 HIEDRN CCCCOc1ccc(OC)cc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554570166 942169683 /nfs/dbraw/zinc/16/96/83/942169683.db2.gz YOYJKLBIDVCIMW-UHFFFAOYSA-N 0 0 408.502 4.358 20 30 HIEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000554574341 942169845 /nfs/dbraw/zinc/16/98/45/942169845.db2.gz UJJMLYCWPFVLJX-LBPRGKRZSA-N 0 0 408.260 4.198 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC1 ZINC000554578615 942171343 /nfs/dbraw/zinc/17/13/43/942171343.db2.gz NHTOBVMQPZOHHR-UHFFFAOYSA-N 0 0 422.382 4.251 20 30 HIEDRN N#Cc1cccc(CCNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 ZINC000554584811 942172135 /nfs/dbraw/zinc/17/21/35/942172135.db2.gz PQZBXKNUGFNDSV-UHFFFAOYSA-N 0 0 403.429 4.478 20 30 HIEDRN COc1ccccc1SC[C@@H](C)CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554603626 942174235 /nfs/dbraw/zinc/17/42/35/942174235.db2.gz WLUVTSVDSCWNHS-SFHVURJKSA-N 0 0 424.570 4.085 20 30 HIEDRN C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC000554642335 942183743 /nfs/dbraw/zinc/18/37/43/942183743.db2.gz HUKQMBVYLDWOAB-QFIPXVFZSA-N 0 0 420.513 4.035 20 30 HIEDRN COC(=O)CC1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000554663481 942192368 /nfs/dbraw/zinc/19/23/68/942192368.db2.gz KQUGTFVYEZFSGO-QGZVFWFLSA-N 0 0 405.498 4.271 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)Cc1cc(Cl)ccc1Br ZINC000554726856 942212479 /nfs/dbraw/zinc/21/24/79/942212479.db2.gz VQVYQVVQBFRQDF-UHFFFAOYSA-N 0 0 421.722 4.192 20 30 HIEDRN CSC[C@@](C)(C#N)NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000554775529 942231555 /nfs/dbraw/zinc/23/15/55/942231555.db2.gz DHINFESCUXULOI-GOSISDBHSA-N 0 0 404.948 4.424 20 30 HIEDRN C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1ccncc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554775870 942232434 /nfs/dbraw/zinc/23/24/34/942232434.db2.gz JIRPRUITDNNHFT-ROUUACIJSA-N 0 0 412.493 4.017 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000554789614 942239918 /nfs/dbraw/zinc/23/99/18/942239918.db2.gz DJBWFPIMPURPJO-HXUWFJFHSA-N 0 0 404.539 4.456 20 30 HIEDRN COc1cccc(C2(c3noc([C@@H]4CCN(c5ccc(C#N)cc5F)C4)n3)CC2)c1 ZINC000554851864 942288843 /nfs/dbraw/zinc/28/88/43/942288843.db2.gz UTGWJXCTSYBHRP-MRXNPFEDSA-N 0 0 404.445 4.163 20 30 HIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ccn(-c2c(F)cccc2F)n1 ZINC000554871363 942302399 /nfs/dbraw/zinc/30/23/99/942302399.db2.gz VDSFBYJPOSSXHA-UHFFFAOYSA-N 0 0 410.811 4.347 20 30 HIEDRN Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000554905092 942314118 /nfs/dbraw/zinc/31/41/18/942314118.db2.gz LYTFNGGTMPESPZ-UHFFFAOYSA-N 0 0 407.481 4.038 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1C#N ZINC000554959179 942334330 /nfs/dbraw/zinc/33/43/30/942334330.db2.gz CPCVZPJPZOZHKT-RBBKRZOGSA-N 0 0 410.562 4.064 20 30 HIEDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000555062465 942373545 /nfs/dbraw/zinc/37/35/45/942373545.db2.gz ATPIWVNSTROHQB-HUUCEWRRSA-N 0 0 410.827 4.162 20 30 HIEDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000555062467 942373676 /nfs/dbraw/zinc/37/36/76/942373676.db2.gz ATPIWVNSTROHQB-LSDHHAIUSA-N 0 0 410.827 4.162 20 30 HIEDRN COc1ccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c(OC)n1 ZINC000555079866 942380089 /nfs/dbraw/zinc/38/00/89/942380089.db2.gz LTVRFKOIJLIQPE-UHFFFAOYSA-N 0 0 405.479 4.052 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000555099738 942385573 /nfs/dbraw/zinc/38/55/73/942385573.db2.gz WBJKHZBHHNTFDI-UGSOOPFHSA-N 0 0 406.498 4.463 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)o2)cc1 ZINC000555115173 942389002 /nfs/dbraw/zinc/38/90/02/942389002.db2.gz UULPKRICVOKFGW-AUSIDOKSSA-N 0 0 402.450 4.238 20 30 HIEDRN COc1cc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC000555145462 942403785 /nfs/dbraw/zinc/40/37/85/942403785.db2.gz ZJZJVSNKJCFSCE-UHFFFAOYSA-N 0 0 403.404 4.117 20 30 HIEDRN C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCc1ccccc1 ZINC000555199585 942428240 /nfs/dbraw/zinc/42/82/40/942428240.db2.gz DWYNBUIBGPAEQA-ZWKOTPCHSA-N 0 0 407.493 4.396 20 30 HIEDRN C=C(C)Cn1c(C(C)C)nnc1N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000555219843 942434501 /nfs/dbraw/zinc/43/45/01/942434501.db2.gz KVOBXRYKYJQCEX-UHFFFAOYSA-N 0 0 421.589 4.385 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000555220828 942435415 /nfs/dbraw/zinc/43/54/15/942435415.db2.gz HEDORQOMXVXSKJ-ROUUACIJSA-N 0 0 416.953 4.340 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC000555239999 942441587 /nfs/dbraw/zinc/44/15/87/942441587.db2.gz AFEDMYAZHQGBTN-UHFFFAOYSA-N 0 0 409.921 4.171 20 30 HIEDRN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(OC2CCCC2)CC1 ZINC000555240079 942442155 /nfs/dbraw/zinc/44/21/55/942442155.db2.gz GEELWSUBWFUJEV-QFIPXVFZSA-N 0 0 408.546 4.458 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC000555243535 942444104 /nfs/dbraw/zinc/44/41/04/942444104.db2.gz XCSLCMSGCCAWCM-NRFANRHFSA-N 0 0 418.541 4.381 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC000555248250 942445155 /nfs/dbraw/zinc/44/51/55/942445155.db2.gz NJQCXHUIDMHNEO-UHFFFAOYSA-N 0 0 407.518 4.008 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000555248984 942446020 /nfs/dbraw/zinc/44/60/20/942446020.db2.gz YXNABJLHCWMZCF-CJFMBICVSA-N 0 0 424.589 4.453 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC000555252806 942447955 /nfs/dbraw/zinc/44/79/55/942447955.db2.gz RUCPQAXXQMCSOZ-QFIPXVFZSA-N 0 0 406.530 4.070 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC000555256184 942450040 /nfs/dbraw/zinc/45/00/40/942450040.db2.gz SEYLAUZFHFSCPC-HOTGVXAUSA-N 0 0 418.925 4.037 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000555256136 942450060 /nfs/dbraw/zinc/45/00/60/942450060.db2.gz VUKVFIKKUWPJPC-HKUYNNGSSA-N 0 0 415.607 4.028 20 30 HIEDRN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC000555260148 942451463 /nfs/dbraw/zinc/45/14/63/942451463.db2.gz FCDOSOLFQLCJEZ-XZOQPEGZSA-N 0 0 416.525 4.417 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000555263285 942452148 /nfs/dbraw/zinc/45/21/48/942452148.db2.gz HTQGEPYJUIPZBP-HNNXBMFYSA-N 0 0 414.916 4.116 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](COCCOC)C1 ZINC000555263598 942452764 /nfs/dbraw/zinc/45/27/64/942452764.db2.gz FJIUWEPVJVWJKE-IBGZPJMESA-N 0 0 412.578 4.308 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC000555264727 942453438 /nfs/dbraw/zinc/45/34/38/942453438.db2.gz VXIQFZKZOMQAGG-UHFFFAOYSA-N 0 0 415.541 4.266 20 30 HIEDRN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000555265528 942454111 /nfs/dbraw/zinc/45/41/11/942454111.db2.gz MFSLWZKLDIYTKB-UHFFFAOYSA-N 0 0 408.550 4.340 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC000555267615 942455320 /nfs/dbraw/zinc/45/53/20/942455320.db2.gz CSBNCCNVWRBKAY-NRFANRHFSA-N 0 0 403.530 4.063 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)CCc1nccs1 ZINC000555267189 942455472 /nfs/dbraw/zinc/45/54/72/942455472.db2.gz QKXXJQXITYIEPF-UHFFFAOYSA-N 0 0 418.364 4.419 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000555267370 942455489 /nfs/dbraw/zinc/45/54/89/942455489.db2.gz XGLGSWDKGCNJHD-HXUWFJFHSA-N 0 0 423.448 4.146 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 ZINC000555268508 942455830 /nfs/dbraw/zinc/45/58/30/942455830.db2.gz MMYHYDPHQISCAY-UHFFFAOYSA-N 0 0 419.529 4.281 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(c2ncccc2F)CC1 ZINC000555268690 942456116 /nfs/dbraw/zinc/45/61/16/942456116.db2.gz NMTMSIORGWNRMP-UHFFFAOYSA-N 0 0 418.476 4.128 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC000555271505 942457774 /nfs/dbraw/zinc/45/77/74/942457774.db2.gz GBNNMWZRZMRQFS-FQEVSTJZSA-N 0 0 406.505 4.489 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3nc(-c4ccccc4)cs3)CC2)o1 ZINC000555282063 942461813 /nfs/dbraw/zinc/46/18/13/942461813.db2.gz NLIWDCLPVAYAET-AWEZNQCLSA-N 0 0 421.526 4.072 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC000555289732 942463322 /nfs/dbraw/zinc/46/33/22/942463322.db2.gz ZVOIGAIHZSJEET-QHCPKHFHSA-N 0 0 420.557 4.230 20 30 HIEDRN COc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)cc1 ZINC000555353529 942490728 /nfs/dbraw/zinc/49/07/28/942490728.db2.gz VBUQKLMTMBTNLT-UHFFFAOYSA-N 0 0 405.502 4.030 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2C[C@@H]2CCCO2)c1 ZINC000555393251 942511886 /nfs/dbraw/zinc/51/18/86/942511886.db2.gz RLKOJRTWYAGVFW-UNMCSNQZSA-N 0 0 417.488 4.129 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2C[C@H]2CCCO2)cc1 ZINC000555403954 942518436 /nfs/dbraw/zinc/51/84/36/942518436.db2.gz JBJQQZNOBPUTFL-QPPBQGQZSA-N 0 0 403.530 4.322 20 30 HIEDRN Cc1cnc(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)s1 ZINC000555438671 942539219 /nfs/dbraw/zinc/53/92/19/942539219.db2.gz SXUUVCZGHPVAPL-UHFFFAOYSA-N 0 0 420.567 4.370 20 30 HIEDRN COc1ccc(CCc2nnc(N3CCC(CC#N)CC3)n2Cc2cccs2)cc1 ZINC000555442769 942545927 /nfs/dbraw/zinc/54/59/27/942545927.db2.gz WPUNLFCRIOTSLR-UHFFFAOYSA-N 0 0 421.570 4.312 20 30 HIEDRN CN(CCc1ccc(Cl)cc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000555450825 942555266 /nfs/dbraw/zinc/55/52/66/942555266.db2.gz OCTBUIQOCLMSIL-LJQANCHMSA-N 0 0 421.932 4.186 20 30 HIEDRN N#CC1CCN(c2nnc(-c3ccc4ccccc4c3)n2C[C@@H]2CCCCO2)CC1 ZINC000555459247 942561183 /nfs/dbraw/zinc/56/11/83/942561183.db2.gz PFAWUJFEAXAEGS-QFIPXVFZSA-N 0 0 401.514 4.407 20 30 HIEDRN CN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000555469272 942572058 /nfs/dbraw/zinc/57/20/58/942572058.db2.gz KWEKGVGQVGDLBP-NRFANRHFSA-N 0 0 405.477 4.161 20 30 HIEDRN CN(Cc1ccc(Cl)cc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000555489562 942591610 /nfs/dbraw/zinc/59/16/10/942591610.db2.gz ZVBLACRXQWYVSI-SFHVURJKSA-N 0 0 407.905 4.143 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC1 ZINC000555488742 942592053 /nfs/dbraw/zinc/59/20/53/942592053.db2.gz OASPHIGBDBIODH-SFHVURJKSA-N 0 0 407.905 4.143 20 30 HIEDRN C=CC1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCOC2)CC1 ZINC000555498270 942599682 /nfs/dbraw/zinc/59/96/82/942599682.db2.gz UBCRHORGVCLMAW-MRXNPFEDSA-N 0 0 417.351 4.147 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(CCC2CCCCC2)n1C[C@@H]1CCOC1 ZINC000555518572 942621703 /nfs/dbraw/zinc/62/17/03/942621703.db2.gz BRLPTCGBTFASQI-QFIPXVFZSA-N 0 0 407.562 4.336 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCC[C@H]1C(=O)Nc2ccc(F)cc21 ZINC000555535599 942630615 /nfs/dbraw/zinc/63/06/15/942630615.db2.gz UPQXYQOIDKZHLE-QGZVFWFLSA-N 0 0 415.424 4.345 20 30 HIEDRN Cc1nc2cc(CNC(=O)CCCCOc3cccc(C#N)c3)ccc2n1C1CC1 ZINC000555585475 942655215 /nfs/dbraw/zinc/65/52/15/942655215.db2.gz MYDDRIBRFVDDQM-UHFFFAOYSA-N 0 0 402.498 4.417 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CN[C@H](c2nccs2)C(F)(F)F)ccc1Cl ZINC000555605904 942665317 /nfs/dbraw/zinc/66/53/17/942665317.db2.gz UXUDWUZFRZQFSK-OAHLLOKOSA-N 0 0 416.856 4.245 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000555767376 942724964 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ZINC000557439080 943127014 /nfs/dbraw/zinc/12/70/14/943127014.db2.gz YPYDPKFIERPSPY-JLTOFOAXSA-N 0 0 417.431 4.245 20 30 HIEDRN Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Sc2ccccc2)n1 ZINC000557473322 943151836 /nfs/dbraw/zinc/15/18/36/943151836.db2.gz NKBFSEVAWDVMMQ-GOSISDBHSA-N 0 0 416.506 4.101 20 30 HIEDRN CC(C)Cc1ccc(C(=O)C2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000557493758 943166420 /nfs/dbraw/zinc/16/64/20/943166420.db2.gz BPHXIMMJBQRDRI-UHFFFAOYSA-N 0 0 406.486 4.346 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000557499598 943169404 /nfs/dbraw/zinc/16/94/04/943169404.db2.gz OXDKMGUZBPDVOW-MQSCRBSSSA-N 0 0 401.510 4.462 20 30 HIEDRN Cc1ccc(OCCCC(=O)Nc2ccc(CNc3ccnc(C#N)c3)cc2)cc1 ZINC000557508957 943176549 /nfs/dbraw/zinc/17/65/49/943176549.db2.gz YYFKBAKPMPRTCV-UHFFFAOYSA-N 0 0 400.482 4.093 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(N3CCC(Oc4cccc(C#N)c4)CC3)c2c1 ZINC000557550033 943203719 /nfs/dbraw/zinc/20/37/19/943203719.db2.gz LONXWSOMPOQYHC-UHFFFAOYSA-N 0 0 414.465 4.043 20 30 HIEDRN C=CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1nc2c(s1)CCCC2 ZINC000557562820 943210376 /nfs/dbraw/zinc/21/03/76/943210376.db2.gz GPMQNQRAXODMHG-INIZCTEOSA-N 0 0 410.518 4.078 20 30 HIEDRN CC(C)[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1F ZINC000557577432 943217001 /nfs/dbraw/zinc/21/70/01/943217001.db2.gz UJAVZIWSSICEPV-BTYIYWSLSA-N 0 0 401.432 4.315 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000557586995 943220037 /nfs/dbraw/zinc/22/00/37/943220037.db2.gz AXSUSSIQQIBILT-UHFFFAOYSA-N 0 0 418.493 4.267 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000557588801 943221406 /nfs/dbraw/zinc/22/14/06/943221406.db2.gz SSSANGBPILGVEA-UHFFFAOYSA-N 0 0 415.877 4.013 20 30 HIEDRN CC1(C(=O)N2CC[C@H](C3CCOCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557598983 943226088 /nfs/dbraw/zinc/22/60/88/943226088.db2.gz QXPMHYGDHCTOPF-SFHVURJKSA-N 0 0 415.965 4.093 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000557607462 943229464 /nfs/dbraw/zinc/22/94/64/943229464.db2.gz LDERHBHVKROTMF-NHCUHLMSSA-N 0 0 424.589 4.292 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COc1ccc(F)cc1Br ZINC000557609828 943229835 /nfs/dbraw/zinc/22/98/35/943229835.db2.gz PMAFNQZBZUXLDP-UHFFFAOYSA-N 0 0 424.314 4.349 20 30 HIEDRN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000557613393 943231837 /nfs/dbraw/zinc/23/18/37/943231837.db2.gz MGMALRZIWNDBQS-RHSMWYFYSA-N 0 0 419.422 4.290 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC000557619108 943234547 /nfs/dbraw/zinc/23/45/47/943234547.db2.gz QWNMYHPVULNNQM-KRWDZBQOSA-N 0 0 407.539 4.062 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000557619111 943234584 /nfs/dbraw/zinc/23/45/84/943234584.db2.gz QWNMYHPVULNNQM-QGZVFWFLSA-N 0 0 407.539 4.062 20 30 HIEDRN C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(C(F)(F)F)cc1 ZINC000557651907 943248061 /nfs/dbraw/zinc/24/80/61/943248061.db2.gz ZDRKKAKSPMMOKA-BBRMVZONSA-N 0 0 405.395 4.420 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4cccc(F)c4)no3)CC2)c(F)c1 ZINC000557659869 943250694 /nfs/dbraw/zinc/25/06/94/943250694.db2.gz GEFPMBXZVOJWLW-UHFFFAOYSA-N 0 0 409.392 4.175 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000557739625 943275406 /nfs/dbraw/zinc/27/54/06/943275406.db2.gz QMTFJXDEMUNVCD-IBGZPJMESA-N 0 0 407.489 4.370 20 30 HIEDRN CC1(C)CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000557756629 943280590 /nfs/dbraw/zinc/28/05/90/943280590.db2.gz QIUSEQHBWCQVJE-IBGZPJMESA-N 0 0 418.415 4.319 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)C2)c(F)c1 ZINC000557836174 943308332 /nfs/dbraw/zinc/30/83/32/943308332.db2.gz OYKOBTBRKLGXOA-GNXKAVGDSA-N 0 0 403.501 4.318 20 30 HIEDRN CSCc1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000557853050 943313469 /nfs/dbraw/zinc/31/34/69/943313469.db2.gz XYZOEPOOBPVPLV-IBGZPJMESA-N 0 0 412.534 4.029 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000557856175 943313897 /nfs/dbraw/zinc/31/38/97/943313897.db2.gz ZABGXFFZBYJGOZ-MRXNPFEDSA-N 0 0 422.451 4.093 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NCc3ccccc3OC3CCC3)CC2)c(F)c1 ZINC000557867439 943316671 /nfs/dbraw/zinc/31/66/71/943316671.db2.gz BJBJFSHJCKAJPN-UHFFFAOYSA-N 0 0 423.488 4.382 20 30 HIEDRN N#CCc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1 ZINC000557883941 943320127 /nfs/dbraw/zinc/32/01/27/943320127.db2.gz ZZKMGHJIRBKFTM-QPPBQGQZSA-N 0 0 416.452 4.073 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000557896742 943322641 /nfs/dbraw/zinc/32/26/41/943322641.db2.gz QFQLLIOHJIYJKO-HSZRJFAPSA-N 0 0 402.494 4.168 20 30 HIEDRN C=CC[C@H]1N(C(=O)C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CCCC1(C)C ZINC000557964431 943341844 /nfs/dbraw/zinc/34/18/44/943341844.db2.gz YWGSMWZOVVFDOP-RTWAWAEBSA-N 0 0 409.505 4.020 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000557970398 943342914 /nfs/dbraw/zinc/34/29/14/943342914.db2.gz RBOPGTFGUHSHPL-LBPRGKRZSA-N 0 0 412.889 4.114 20 30 HIEDRN N#CCCn1cc(/C=C/c2nc(CC(=O)Nc3ccc(F)cc3)no2)c2ccccc21 ZINC000558009284 943353509 /nfs/dbraw/zinc/35/35/09/943353509.db2.gz JAZMEEKPVDZFJV-IZZDOVSWSA-N 0 0 415.428 4.429 20 30 HIEDRN CCN(C)C(=O)c1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC000558055156 943368081 /nfs/dbraw/zinc/36/80/81/943368081.db2.gz WBZRMRVGZQSTFL-UHFFFAOYSA-N 0 0 413.477 4.481 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000558109929 943382626 /nfs/dbraw/zinc/38/26/26/943382626.db2.gz GQUOZXAOUKMGIZ-INIZCTEOSA-N 0 0 408.424 4.013 20 30 HIEDRN CN(C)c1ccccc1CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000558142128 943394661 /nfs/dbraw/zinc/39/46/61/943394661.db2.gz KWBHPMLEHOXAJS-UHFFFAOYSA-N 0 0 405.527 4.335 20 30 HIEDRN C=CCn1c(Sc2ccc([N+](=O)[O-])nc2)nnc1-c1ccc(Br)cc1 ZINC000558201665 943429939 /nfs/dbraw/zinc/42/99/39/943429939.db2.gz VULYSPAZMKPHNS-UHFFFAOYSA-N 0 0 418.276 4.348 20 30 HIEDRN N#Cc1cc(Br)ccc1CNc1cc(Cl)ccc1N1CCOCC1 ZINC000558267585 943468474 /nfs/dbraw/zinc/46/84/74/943468474.db2.gz NLOLBFRKUNYNFF-UHFFFAOYSA-N 0 0 406.711 4.423 20 30 HIEDRN CCN(CC)C(=O)COc1ccc(NC(=O)NCC(C)(C)CCC#N)cc1Cl ZINC000558268310 943469556 /nfs/dbraw/zinc/46/95/56/943469556.db2.gz XARHCLPRHHLMIB-UHFFFAOYSA-N 0 0 408.930 4.039 20 30 HIEDRN CCOc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1F ZINC000558315270 943501202 /nfs/dbraw/zinc/50/12/02/943501202.db2.gz WIWNOBLXWBMKCV-UHFFFAOYSA-N 0 0 401.413 4.310 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NCc2nccc(C(F)F)n2)cc1 ZINC000558317448 943503109 /nfs/dbraw/zinc/50/31/09/943503109.db2.gz YNWDUWUAXHRRIF-UHFFFAOYSA-N 0 0 423.423 4.381 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(OC)ccc1Br ZINC000558318604 943504433 /nfs/dbraw/zinc/50/44/33/943504433.db2.gz PIAOFAQAVYOUAN-UHFFFAOYSA-N 0 0 409.280 4.153 20 30 HIEDRN C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)cc1 ZINC000558356188 943522717 /nfs/dbraw/zinc/52/27/17/943522717.db2.gz DWRHTMZWDWUVJC-MRXNPFEDSA-N 0 0 424.464 4.085 20 30 HIEDRN Cn1c(-c2ccccc2Br)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000558433846 943558005 /nfs/dbraw/zinc/55/80/05/943558005.db2.gz QQSHWYIAKYSAMW-UHFFFAOYSA-N 0 0 420.314 4.410 20 30 HIEDRN C=CCn1c(-c2cccc(C)n2)nnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000558452171 943562989 /nfs/dbraw/zinc/56/29/89/943562989.db2.gz DZYDQUFSYGBJFM-UHFFFAOYSA-N 0 0 403.530 4.268 20 30 HIEDRN C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCOCC2)[C@@H]1C ZINC000558451083 943563131 /nfs/dbraw/zinc/56/31/31/943563131.db2.gz RRIFIPKXAXCBNP-HNNXBMFYSA-N 0 0 404.461 4.128 20 30 HIEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000558457364 943565186 /nfs/dbraw/zinc/56/51/86/943565186.db2.gz YFXNJSMAWJVKSM-ZWKOTPCHSA-N 0 0 402.514 4.101 20 30 HIEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000558457362 943565430 /nfs/dbraw/zinc/56/54/30/943565430.db2.gz YFXNJSMAWJVKSM-ROUUACIJSA-N 0 0 402.514 4.101 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC=C)CCCC1(C)C ZINC000558460004 943566007 /nfs/dbraw/zinc/56/60/07/943566007.db2.gz ULGFBLMTIHBSDY-SFHVURJKSA-N 0 0 404.518 4.351 20 30 HIEDRN C=CCc1cc(CNC(=O)c2sc(C(C)(C)OC)nc2C)cc(OC)c1OC ZINC000558508341 943579932 /nfs/dbraw/zinc/57/99/32/943579932.db2.gz MIAFVVQTUDJJAY-UHFFFAOYSA-N 0 0 404.532 4.009 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)NCCc3cnn(-c4ccccc4)c3)cc2)ccn1 ZINC000558510621 943580685 /nfs/dbraw/zinc/58/06/85/943580685.db2.gz CZNCIEBLLIQNIK-UHFFFAOYSA-N 0 0 424.464 4.295 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1F ZINC000558520427 943587140 /nfs/dbraw/zinc/58/71/40/943587140.db2.gz RXXLUSCNEYEQBL-GOSISDBHSA-N 0 0 419.378 4.408 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)cc1F ZINC000558531802 943589906 /nfs/dbraw/zinc/58/99/06/943589906.db2.gz GCAWZVLNRMMJSG-UHFFFAOYSA-N 0 0 401.441 4.450 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)cc2)ccn1 ZINC000558558549 943597145 /nfs/dbraw/zinc/59/71/45/943597145.db2.gz ZZZUSZRNPSLRIW-UHFFFAOYSA-N 0 0 412.449 4.275 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000558559542 943598296 /nfs/dbraw/zinc/59/82/96/943598296.db2.gz KVMUPUNKWJPJMT-UHFFFAOYSA-N 0 0 401.422 4.356 20 30 HIEDRN N#Cc1cc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](C5CCCCC5)CN4C3=O)cc2)ccn1 ZINC000558586343 943609087 /nfs/dbraw/zinc/60/90/87/943609087.db2.gz HWKPXUZHKCBMMV-VGOFRKELSA-N 0 0 416.481 4.483 20 30 HIEDRN Cc1ccc(-n2ncc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c2C(C)C)cc1 ZINC000558588068 943609737 /nfs/dbraw/zinc/60/97/37/943609737.db2.gz WFHPKYQFHFTDPL-UHFFFAOYSA-N 0 0 413.525 4.397 20 30 HIEDRN COCc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cc(F)ccc2n1 ZINC000558589281 943611156 /nfs/dbraw/zinc/61/11/56/943611156.db2.gz FNANQHOHTZOGKD-UHFFFAOYSA-N 0 0 418.472 4.247 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)Nc3cccnc3N3CCCC3)cc2)ccn1 ZINC000558593369 943611952 /nfs/dbraw/zinc/61/19/52/943611952.db2.gz WMASHANNHXIEHW-UHFFFAOYSA-N 0 0 400.442 4.385 20 30 HIEDRN C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000558635314 943621781 /nfs/dbraw/zinc/62/17/81/943621781.db2.gz PXRLCBYANYJLIR-OXQOHEQNSA-N 0 0 417.488 4.259 20 30 HIEDRN Cc1nc(-c2ccc(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2)cs1 ZINC000558655801 943624859 /nfs/dbraw/zinc/62/48/59/943624859.db2.gz ISYHUANPDSVHPG-UHFFFAOYSA-N 0 0 417.538 4.281 20 30 HIEDRN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CC#N)CC1 ZINC000558675420 943626619 /nfs/dbraw/zinc/62/66/19/943626619.db2.gz YFIISQRLPRCFLJ-UHFFFAOYSA-N 0 0 404.287 4.163 20 30 HIEDRN Cc1ccc2nc(NC(=O)Cn3cc(C#N)c(=O)c4cc(C)cc(Cl)c43)sc2c1 ZINC000558755226 943647011 /nfs/dbraw/zinc/64/70/11/943647011.db2.gz KPCWATHKUIJSLH-UHFFFAOYSA-N 0 0 422.897 4.392 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)c2)cc1 ZINC000558775153 943657185 /nfs/dbraw/zinc/65/71/85/943657185.db2.gz JNVWGWKPRKZGJM-XMSQKQJNSA-N 0 0 421.497 4.040 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)c2)cc1 ZINC000558775148 943657800 /nfs/dbraw/zinc/65/78/00/943657800.db2.gz JNVWGWKPRKZGJM-GCJKJVERSA-N 0 0 421.497 4.040 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(-n3ccnn3)c2)c1 ZINC000558805330 943670913 /nfs/dbraw/zinc/67/09/13/943670913.db2.gz KKAFWZGNYLOJMS-UHFFFAOYSA-N 0 0 414.856 4.034 20 30 HIEDRN CCn1c(CCCc2ccccc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000558838950 943689288 /nfs/dbraw/zinc/68/92/88/943689288.db2.gz OEMYLNTWBZSILI-UHFFFAOYSA-N 0 0 415.541 4.393 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cccc(OC(C)C)c1 ZINC000558849559 943698879 /nfs/dbraw/zinc/69/88/79/943698879.db2.gz PBEDOUGSPRKKIC-UHFFFAOYSA-N 0 0 405.502 4.172 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC000558900971 943735305 /nfs/dbraw/zinc/73/53/05/943735305.db2.gz JTZOPCWSWDIGPC-UHFFFAOYSA-N 0 0 421.526 4.299 20 30 HIEDRN O=C(NCC#Cc1cccc(F)c1)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000558905411 943738349 /nfs/dbraw/zinc/73/83/49/943738349.db2.gz GSOZBHKLJSMJJR-IBGZPJMESA-N 0 0 419.525 4.406 20 30 HIEDRN CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC(C)(C)O1 ZINC000558927621 943750343 /nfs/dbraw/zinc/75/03/43/943750343.db2.gz XDHBGRCPSNKDMN-UHFFFAOYSA-N 0 0 401.514 4.259 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2Cc2ccccc2)c1 ZINC000558935528 943756478 /nfs/dbraw/zinc/75/64/78/943756478.db2.gz HFRXVWRMKRXFDI-QHCPKHFHSA-N 0 0 413.525 4.260 20 30 HIEDRN COc1ccccc1SCc1nnc(N(C)C[C@H](C)C#N)n1CCc1ccccc1 ZINC000558940271 943760361 /nfs/dbraw/zinc/76/03/61/943760361.db2.gz GTCORDNVCAIOIA-GOSISDBHSA-N 0 0 421.570 4.418 20 30 HIEDRN CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccc1 ZINC000558942720 943763714 /nfs/dbraw/zinc/76/37/14/943763714.db2.gz PVRDHHYHJBBAON-UHFFFAOYSA-N 0 0 415.541 4.312 20 30 HIEDRN CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2ccccc2)cc1OC ZINC000558945196 943765000 /nfs/dbraw/zinc/76/50/00/943765000.db2.gz RZGWKYPDKBBAFV-SFHVURJKSA-N 0 0 419.529 4.191 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC000558962579 943772193 /nfs/dbraw/zinc/77/21/93/943772193.db2.gz DWYIXXWJHMNWJO-DEOSSOPVSA-N 0 0 406.505 4.336 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC000558961845 943772199 /nfs/dbraw/zinc/77/21/99/943772199.db2.gz IKGGTKCTXATQBB-LJQANCHMSA-N 0 0 421.545 4.008 20 30 HIEDRN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000558964034 943772880 /nfs/dbraw/zinc/77/28/80/943772880.db2.gz DUQITSOMAHQXAM-UHFFFAOYSA-N 0 0 401.518 4.120 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000558963571 943773157 /nfs/dbraw/zinc/77/31/57/943773157.db2.gz UTFJFKRBTSILSF-OFNKIYASSA-N 0 0 424.589 4.418 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000558966267 943774185 /nfs/dbraw/zinc/77/41/85/943774185.db2.gz RZXUBFMTDXJEME-UHFFFAOYSA-N 0 0 420.513 4.087 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC(OC(C)(C)C)CC1 ZINC000558978217 943781503 /nfs/dbraw/zinc/78/15/03/943781503.db2.gz BXVJAVWBLGCKPR-UHFFFAOYSA-N 0 0 414.550 4.322 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC000558982135 943784275 /nfs/dbraw/zinc/78/42/75/943784275.db2.gz BKWVDAOGYYBIIF-NRFANRHFSA-N 0 0 414.550 4.178 20 30 HIEDRN N#Cc1nnc2ccccc2c1Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 ZINC000558983534 943784963 /nfs/dbraw/zinc/78/49/63/943784963.db2.gz XUJWUCPANOBDKM-UHFFFAOYSA-N 0 0 405.461 4.377 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](OCCOC)C1 ZINC000558982646 943785560 /nfs/dbraw/zinc/78/55/60/943785560.db2.gz ADKHQNFELDDZTL-IBGZPJMESA-N 0 0 421.545 4.010 20 30 HIEDRN C=C(C)Cn1c(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nnc1C(C)(C)C ZINC000558982404 943785799 /nfs/dbraw/zinc/78/57/99/943785799.db2.gz MZNSHOZKVIFPJV-KRWDZBQOSA-N 0 0 406.477 4.331 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000558983144 943785870 /nfs/dbraw/zinc/78/58/70/943785870.db2.gz REJVGNJAEQACRU-XMMPIXPASA-N 0 0 418.545 4.104 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](CC)C1 ZINC000558983473 943785876 /nfs/dbraw/zinc/78/58/76/943785876.db2.gz WWXMWLBFEGQDDK-QZTJIDSGSA-N 0 0 400.523 4.008 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000558984766 943786518 /nfs/dbraw/zinc/78/65/18/943786518.db2.gz FKASDTOCZRYFJK-KRWDZBQOSA-N 0 0 415.969 4.163 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2ccc(F)cc2)CC1 ZINC000558984262 943787002 /nfs/dbraw/zinc/78/70/02/943787002.db2.gz CAZNVSIMWBQTDF-UHFFFAOYSA-N 0 0 407.493 4.027 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC000558985271 943787048 /nfs/dbraw/zinc/78/70/48/943787048.db2.gz CWFRLPVBONAPDU-IRXDYDNUSA-N 0 0 402.564 4.162 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC000558986409 943788572 /nfs/dbraw/zinc/78/85/72/943788572.db2.gz LLIOPPWCGWUKIT-RUZDIDTESA-N 0 0 416.525 4.112 20 30 HIEDRN C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)Cc1cnccn1 ZINC000558986171 943788580 /nfs/dbraw/zinc/78/85/80/943788580.db2.gz ZFWUIXIKAFGTKG-UHFFFAOYSA-N 0 0 406.534 4.291 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCCC(C)C)CC1 ZINC000558990735 943791202 /nfs/dbraw/zinc/79/12/02/943791202.db2.gz GAOTVXSZWMEHHS-UHFFFAOYSA-N 0 0 413.522 4.461 20 30 HIEDRN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(OCc2ccccc2OC)CC1 ZINC000558989495 943791334 /nfs/dbraw/zinc/79/13/34/943791334.db2.gz VNDPNIWZGAPMPO-UHFFFAOYSA-N 0 0 421.545 4.054 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2cscn2)CC1 ZINC000558992979 943792219 /nfs/dbraw/zinc/79/22/19/943792219.db2.gz HKAOYJNMXPDQGP-NRFANRHFSA-N 0 0 422.602 4.175 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000558991561 943792235 /nfs/dbraw/zinc/79/22/35/943792235.db2.gz NTBUPVLKFSXBGS-LJQANCHMSA-N 0 0 419.529 4.088 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000558991560 943792377 /nfs/dbraw/zinc/79/23/77/943792377.db2.gz NTBUPVLKFSXBGS-IBGZPJMESA-N 0 0 419.529 4.088 20 30 HIEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000558994113 943792920 /nfs/dbraw/zinc/79/29/20/943792920.db2.gz BWGFEKCOBLOFTP-QGZVFWFLSA-N 0 0 403.324 4.072 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC000558996531 943795404 /nfs/dbraw/zinc/79/54/04/943795404.db2.gz JGNWOAZLSWAJHK-IBGZPJMESA-N 0 0 416.591 4.406 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC2(CCOCC2)C1 ZINC000558998486 943796542 /nfs/dbraw/zinc/79/65/42/943796542.db2.gz WVKYFCHXLUXLNI-UHFFFAOYSA-N 0 0 404.967 4.277 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000558998711 943796620 /nfs/dbraw/zinc/79/66/20/943796620.db2.gz XGPJJFWFKAIQMY-LLJLJFOGSA-N 0 0 422.529 4.430 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CCC(=O)OC)CC1 ZINC000559001650 943797478 /nfs/dbraw/zinc/79/74/78/943797478.db2.gz OQNUPNRFIAWNNM-UHFFFAOYSA-N 0 0 419.529 4.239 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC000559002678 943798259 /nfs/dbraw/zinc/79/82/59/943798259.db2.gz LZLQUPLXRJMIRL-IBGZPJMESA-N 0 0 422.602 4.093 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@]2(CCCOC2)C1 ZINC000559003083 943798272 /nfs/dbraw/zinc/79/82/72/943798272.db2.gz YZHJPUYDSNQBRW-XMMPIXPASA-N 0 0 410.562 4.447 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC2(CCOCC2)C1 ZINC000559003054 943798789 /nfs/dbraw/zinc/79/87/89/943798789.db2.gz XTFSISCNYXUAJX-UHFFFAOYSA-N 0 0 410.562 4.205 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000559011170 943803283 /nfs/dbraw/zinc/80/32/83/943803283.db2.gz UJKRGVJOXQLYFM-LJQANCHMSA-N 0 0 416.497 4.363 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](COCC)C1 ZINC000559010709 943803356 /nfs/dbraw/zinc/80/33/56/943803356.db2.gz GUNSYPNNWAVLEK-HNNXBMFYSA-N 0 0 405.340 4.147 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000559011065 943803411 /nfs/dbraw/zinc/80/34/11/943803411.db2.gz NQLRHULOZBCKFT-UHFFFAOYSA-N 0 0 420.492 4.068 20 30 HIEDRN C[C@H](NC(=O)C(=O)N1CCc2cc(F)ccc21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000559018254 943805541 /nfs/dbraw/zinc/80/55/41/943805541.db2.gz WTBUCHWWSQMDLE-INIZCTEOSA-N 0 0 413.452 4.131 20 30 HIEDRN O=C(c1cc(C(F)(F)F)ccc1F)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000559026773 943809137 /nfs/dbraw/zinc/80/91/37/943809137.db2.gz XEZYBBMCYJFKFB-UHFFFAOYSA-N 0 0 421.316 4.221 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000559027522 943809254 /nfs/dbraw/zinc/80/92/54/943809254.db2.gz NLVZLGCWXWKNLL-FQEVSTJZSA-N 0 0 414.456 4.089 20 30 HIEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCCN3C(=O)c4ccccc4C3=O)sc2C1 ZINC000559036117 943811174 /nfs/dbraw/zinc/81/11/74/943811174.db2.gz XUKXYUIEZLNGIY-CQSZACIVSA-N 0 0 421.522 4.150 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC000559058110 943818797 /nfs/dbraw/zinc/81/87/97/943818797.db2.gz GNRGNXQZTDALIZ-JOCHJYFZSA-N 0 0 415.541 4.312 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000559080143 943829049 /nfs/dbraw/zinc/82/90/49/943829049.db2.gz ZNIWTJXEHUMXHX-AVRDEDQJSA-N 0 0 401.514 4.439 20 30 HIEDRN Cc1cc(-c2nnc(N3CCN(Cc4ccccc4)[C@H](C#N)C3)n2CC(C)C)c(C)o1 ZINC000559080334 943830111 /nfs/dbraw/zinc/83/01/11/943830111.db2.gz CUKUZEZPZORFAZ-OAQYLSRUSA-N 0 0 418.545 4.025 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCCO1 ZINC000559111822 943844460 /nfs/dbraw/zinc/84/44/60/943844460.db2.gz FCMHKLSMSSLCGD-NRFANRHFSA-N 0 0 424.508 4.180 20 30 HIEDRN C=CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCO2)CC1 ZINC000559118485 943846234 /nfs/dbraw/zinc/84/62/34/943846234.db2.gz GWSCVUUHQQLOBG-WMZOPIPTSA-N 0 0 400.498 4.139 20 30 HIEDRN CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cccs1 ZINC000559167049 943859126 /nfs/dbraw/zinc/85/91/26/943859126.db2.gz DBMCGWXBZDLMCY-UHFFFAOYSA-N 0 0 424.549 4.023 20 30 HIEDRN Cc1cccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCCO2)c1C ZINC000559175238 943861998 /nfs/dbraw/zinc/86/19/98/943861998.db2.gz PUFAROARWNMNDF-TZIWHRDSSA-N 0 0 423.561 4.344 20 30 HIEDRN N#CC1CCN(c2nnc(-c3cc(Cl)ccc3Cl)n2C[C@H]2CCOC2)CC1 ZINC000559177797 943863195 /nfs/dbraw/zinc/86/31/95/943863195.db2.gz UAXMESVQCYVBAE-CQSZACIVSA-N 0 0 406.317 4.028 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCCO1 ZINC000559191624 943867241 /nfs/dbraw/zinc/86/72/41/943867241.db2.gz RMRVVRCFKQXLRM-JOCHJYFZSA-N 0 0 419.504 4.085 20 30 HIEDRN Cc1sc(C2(NS(=O)(=O)c3ccc(C#N)o3)CCC2)nc1-c1ccccc1F ZINC000559198457 943869945 /nfs/dbraw/zinc/86/99/45/943869945.db2.gz SGNNLCMSBHZKMY-UHFFFAOYSA-N 0 0 417.487 4.080 20 30 HIEDRN C=CC1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@H]2CCCCO2)CC1 ZINC000559202914 943870619 /nfs/dbraw/zinc/87/06/19/943870619.db2.gz DLXIFFNOBRBZNM-FQEVSTJZSA-N 0 0 403.530 4.465 20 30 HIEDRN C=CCCCN(C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000559204820 943871771 /nfs/dbraw/zinc/87/17/71/943871771.db2.gz GPEOAUXLHPEJOY-FKBYEOEOSA-N 0 0 410.562 4.495 20 30 HIEDRN Cn1cc(CN2CCC[C@@H]2c2ccc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000559235580 943882769 /nfs/dbraw/zinc/88/27/69/943882769.db2.gz XZGWRXGYQHSNLW-HXUWFJFHSA-N 0 0 422.330 4.453 20 30 HIEDRN C=CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1C[C@@H]1CCOC1 ZINC000559236961 943883304 /nfs/dbraw/zinc/88/33/04/943883304.db2.gz YYVDOBBCJZVSJF-SJORKVTESA-N 0 0 404.942 4.347 20 30 HIEDRN C=CCN(C)c1nnc(COc2ccccc2-c2ccccc2)n1C[C@H]1CCOC1 ZINC000559245484 943885117 /nfs/dbraw/zinc/88/51/17/943885117.db2.gz ZYUQZAFDRMAROW-LJQANCHMSA-N 0 0 404.514 4.183 20 30 HIEDRN Cc1ccccc1[C@H](OC[C@H](O)COc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000559283724 943890202 /nfs/dbraw/zinc/89/02/02/943890202.db2.gz VVOVRQKDOSMIED-HYBUGGRVSA-N 0 0 418.449 4.321 20 30 HIEDRN C[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000559438034 943954083 /nfs/dbraw/zinc/95/40/83/943954083.db2.gz ZLJMRXIEKTZDBK-KSFYIVLOSA-N 0 0 417.896 4.295 20 30 HIEDRN N#Cc1ccc2c(c1)N(C(=O)c1nnn(-c3cccc(C(F)(F)F)c3)c1C1CC1)CC2 ZINC000559474736 943969312 /nfs/dbraw/zinc/96/93/12/943969312.db2.gz 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HIEDRN C=CCc1ccc(OCC(=O)Nc2nnc(Cc3cccc(F)c3)s2)c(OC)c1 ZINC000410030857 855787277 /nfs/dbraw/zinc/78/72/77/855787277.db2.gz QTDIBPDWKNPXRH-UHFFFAOYSA-N 0 0 413.474 4.023 20 30 HIEDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000410049061 855799602 /nfs/dbraw/zinc/79/96/02/855799602.db2.gz WMDOOAVEJJFKCU-UHFFFAOYSA-N 0 0 405.285 4.035 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1=O ZINC000410108378 855823415 /nfs/dbraw/zinc/82/34/15/855823415.db2.gz WDJXUTOSHBTLRW-IBGZPJMESA-N 0 0 402.416 4.231 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 ZINC000410115746 855826766 /nfs/dbraw/zinc/82/67/66/855826766.db2.gz IDSHEIQWGGLGRI-KRWDZBQOSA-N 0 0 401.470 4.219 20 30 HIEDRN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000410121428 855829344 /nfs/dbraw/zinc/82/93/44/855829344.db2.gz SMRVUKKTDSIHNV-UHFFFAOYSA-N 0 0 407.651 4.194 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000410122346 855829483 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ZINC000410345902 855940128 /nfs/dbraw/zinc/94/01/28/855940128.db2.gz DTAMVFAYOSLXHB-UHFFFAOYSA-N 0 0 406.526 4.451 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC ZINC000410360439 855949684 /nfs/dbraw/zinc/94/96/84/855949684.db2.gz ACVRNOTVFNWMDF-UHFFFAOYSA-N 0 0 416.543 4.097 20 30 HIEDRN N#CCc1ccccc1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl ZINC000410398474 855973601 /nfs/dbraw/zinc/97/36/01/855973601.db2.gz PYXQKFAVJBNKBQ-UHFFFAOYSA-N 0 0 403.660 4.108 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000410401107 855975579 /nfs/dbraw/zinc/97/55/79/855975579.db2.gz NMNCJILENHEYQQ-QGZVFWFLSA-N 0 0 420.815 4.481 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000410405246 855979130 /nfs/dbraw/zinc/97/91/30/855979130.db2.gz IDBOGTRXJINZDI-AWEZNQCLSA-N 0 0 407.495 4.376 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)c1cccc(O)c1 ZINC000437399088 862742921 /nfs/dbraw/zinc/74/29/21/862742921.db2.gz WDAONEYCWJMFOF-HZPDHXFCSA-N 0 0 411.527 4.192 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000410421629 855988925 /nfs/dbraw/zinc/98/89/25/855988925.db2.gz KFHTYTMEEPQZOD-UHFFFAOYSA-N 0 0 423.460 4.232 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425991717 856034166 /nfs/dbraw/zinc/03/41/66/856034166.db2.gz YAKVKMASUALWDQ-UHFFFAOYSA-N 0 0 410.499 4.074 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1)c1ccc(C#N)cc1 ZINC000426003019 856040455 /nfs/dbraw/zinc/04/04/55/856040455.db2.gz QXGKLOURNIAFDG-AWEZNQCLSA-N 0 0 411.889 4.349 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(C#N)cc1 ZINC000426001505 856040559 /nfs/dbraw/zinc/04/05/59/856040559.db2.gz LAAQFOUHYVUAMI-MRXNPFEDSA-N 0 0 410.433 4.038 20 30 HIEDRN CCc1nc(C)c(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)o1 ZINC000426034052 856061054 /nfs/dbraw/zinc/06/10/54/856061054.db2.gz DSKYSBLSVKNZEG-UHFFFAOYSA-N 0 0 417.465 4.054 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 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ZINC000427200477 856709291 /nfs/dbraw/zinc/70/92/91/856709291.db2.gz PGWGBJOHSLKTNC-UHFFFAOYSA-N 0 0 402.369 4.142 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000437467548 862830095 /nfs/dbraw/zinc/83/00/95/862830095.db2.gz NCTIPXSBCLRYKS-VGOFRKELSA-N 0 0 407.539 4.338 20 30 HIEDRN C=CCC[C@H](C(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 ZINC000427260094 856741344 /nfs/dbraw/zinc/74/13/44/856741344.db2.gz JULBRCHRBNHKJM-MOPGFXCFSA-N 0 0 410.480 4.386 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1F ZINC000427261156 856741393 /nfs/dbraw/zinc/74/13/93/856741393.db2.gz UVBIJHUYXAJXTD-UHFFFAOYSA-N 0 0 401.463 4.017 20 30 HIEDRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000427286327 856751451 /nfs/dbraw/zinc/75/14/51/856751451.db2.gz FFLGYSVCYCDPLY-UHFFFAOYSA-N 0 0 404.382 4.223 20 30 HIEDRN O=S(=O)(Nc1ccc(OC(F)F)cc1F)c1cccc(OC(F)(F)F)c1F ZINC000427331496 856776380 /nfs/dbraw/zinc/77/63/80/856776380.db2.gz ZDCCWSSSGBZPMJ-UHFFFAOYSA-N 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ZINC000431591495 858679988 /nfs/dbraw/zinc/67/99/88/858679988.db2.gz DVPJJNXAGKBSJI-HNNXBMFYSA-N 0 0 419.348 4.002 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431622355 858694760 /nfs/dbraw/zinc/69/47/60/858694760.db2.gz PATQANXXRGFDNX-QGZVFWFLSA-N 0 0 403.486 4.213 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431622351 858695038 /nfs/dbraw/zinc/69/50/38/858695038.db2.gz PATQANXXRGFDNX-KRWDZBQOSA-N 0 0 403.486 4.213 20 30 HIEDRN Cc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1C(=O)OC(C)C ZINC000431630520 858700326 /nfs/dbraw/zinc/70/03/26/858700326.db2.gz LHEOJRFQMJUOCW-NRFANRHFSA-N 0 0 414.527 4.274 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000431632592 858701591 /nfs/dbraw/zinc/70/15/91/858701591.db2.gz XQBURBPXAWLECM-INIZCTEOSA-N 0 0 411.296 4.302 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1)c1ccccc1 ZINC000431633823 858702881 /nfs/dbraw/zinc/70/28/81/858702881.db2.gz DLINERBOGZTMLI-QGZVFWFLSA-N 0 0 411.296 4.302 20 30 HIEDRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431635047 858702903 /nfs/dbraw/zinc/70/29/03/858702903.db2.gz JCHIIRLOQXGMIC-IBGZPJMESA-N 0 0 420.918 4.230 20 30 HIEDRN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431729450 858769322 /nfs/dbraw/zinc/76/93/22/858769322.db2.gz QTWWHGHHWVNQMO-QGZVFWFLSA-N 0 0 408.502 4.045 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000431786687 858811644 /nfs/dbraw/zinc/81/16/44/858811644.db2.gz SFGWRIQVUAORBH-ZFWWWQNUSA-N 0 0 420.332 4.103 20 30 HIEDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000431786686 858811854 /nfs/dbraw/zinc/81/18/54/858811854.db2.gz SFGWRIQVUAORBH-UKRRQHHQSA-N 0 0 420.332 4.103 20 30 HIEDRN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)[C@H]1OCCc2sccc21 ZINC000431791105 858813598 /nfs/dbraw/zinc/81/35/98/858813598.db2.gz LBJFSWWMNLDIHR-XNJJOIOASA-N 0 0 405.317 4.142 20 30 HIEDRN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000431799304 858817559 /nfs/dbraw/zinc/81/75/59/858817559.db2.gz SKSMFOXHFHIKOV-UHFFFAOYSA-N 0 0 413.449 4.460 20 30 HIEDRN N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000431802221 858818417 /nfs/dbraw/zinc/81/84/17/858818417.db2.gz VPBSUXOYHGNFQA-UHFFFAOYSA-N 0 0 416.279 4.189 20 30 HIEDRN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cccc(C#N)c1C ZINC000431833462 858831805 /nfs/dbraw/zinc/83/18/05/858831805.db2.gz OQTMIMDPGQHCJN-UHFFFAOYSA-N 0 0 413.403 4.264 20 30 HIEDRN COC[C@H](C)n1c(SCC(=O)Nc2cccc(C#N)c2C)nnc1-c1ccccc1 ZINC000431841198 858836148 /nfs/dbraw/zinc/83/61/48/858836148.db2.gz QATSPSFBNUJBQV-HNNXBMFYSA-N 0 0 421.526 4.063 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000431859927 858843059 /nfs/dbraw/zinc/84/30/59/858843059.db2.gz OYKQKSHOIJQILA-UHFFFAOYSA-N 0 0 409.442 4.059 20 30 HIEDRN CC(C)(CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000431870574 858848424 /nfs/dbraw/zinc/84/84/24/858848424.db2.gz JIEGBLAULHXYCL-FQEVSTJZSA-N 0 0 407.514 4.470 20 30 HIEDRN CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000431918423 858870308 /nfs/dbraw/zinc/87/03/08/858870308.db2.gz HXRHRJOAJHUEND-OAQYLSRUSA-N 0 0 411.914 4.407 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)N(CC3CC3)CC3CCC3)s2)cc1 ZINC000431933412 858877074 /nfs/dbraw/zinc/87/70/74/858877074.db2.gz BKYSBUUEHHRAMG-UHFFFAOYSA-N 0 0 413.572 4.746 20 30 HIEDRN C=CCC(C)(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000431951417 858883845 /nfs/dbraw/zinc/88/38/45/858883845.db2.gz CALDESFGJPFAGF-UHFFFAOYSA-N 0 0 405.542 4.119 20 30 HIEDRN COc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)c2ccc(C)cc2)cc1 ZINC000431953184 858885422 /nfs/dbraw/zinc/88/54/22/858885422.db2.gz MJYANCGEBFKAHF-QHCPKHFHSA-N 0 0 413.477 4.028 20 30 HIEDRN Cc1ccc(CN(CCO)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)o1 ZINC000431978514 858899673 /nfs/dbraw/zinc/89/96/73/858899673.db2.gz YBGZQVHYDODLRK-UHFFFAOYSA-N 0 0 419.481 4.260 20 30 HIEDRN C[C@@H]1OCC[C@@H]1N(CCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000431982161 858901616 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4.130 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000432175526 859031868 /nfs/dbraw/zinc/03/18/68/859031868.db2.gz GSISIEIPXGFLIA-SFHVURJKSA-N 0 0 407.539 4.308 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ncc(-c4ccc(F)cc4)s3)C2)n1 ZINC000432183584 859035313 /nfs/dbraw/zinc/03/53/13/859035313.db2.gz ZXBDBCMHIWQKIQ-QGZVFWFLSA-N 0 0 421.501 4.379 20 30 HIEDRN Cc1ccc(C)c([C@H]2CN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H](C)CO2)c1 ZINC000432188431 859037803 /nfs/dbraw/zinc/03/78/03/859037803.db2.gz VLXUJQFKECSSFK-WMZHIEFXSA-N 0 0 419.525 4.273 20 30 HIEDRN C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C1=O ZINC000432207967 859047148 /nfs/dbraw/zinc/04/71/48/859047148.db2.gz KZZALHODHPWPPI-UXHICEINSA-N 0 0 413.399 4.366 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000432262636 859074556 /nfs/dbraw/zinc/07/45/56/859074556.db2.gz ODIGWIGFIKHDIJ-UHFFFAOYSA-N 0 0 402.420 4.235 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000432296354 859090314 /nfs/dbraw/zinc/09/03/14/859090314.db2.gz ZXIJWTZLMBWXSD-HXUWFJFHSA-N 0 0 408.889 4.500 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c1 ZINC000432304777 859094267 /nfs/dbraw/zinc/09/42/67/859094267.db2.gz CLYQGBFGCFKYNM-ZDUSSCGKSA-N 0 0 400.809 4.457 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000432316764 859100554 /nfs/dbraw/zinc/10/05/54/859100554.db2.gz ACFGEFAYLBSPIJ-QGZVFWFLSA-N 0 0 412.511 4.051 20 30 HIEDRN CN(C)c1cccc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000432326737 859104152 /nfs/dbraw/zinc/10/41/52/859104152.db2.gz DDWQSFTYPBLYPZ-QFIPXVFZSA-N 0 0 404.514 4.097 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(Cl)c1 ZINC000432329314 859106100 /nfs/dbraw/zinc/10/61/00/859106100.db2.gz OQUQOYYJEUXSDH-HHHXNRCGSA-N 0 0 401.919 4.440 20 30 HIEDRN CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)NC1(C#N)CCCCC1 ZINC000432354471 859116834 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HIEDRN C=CCn1c(SCc2ncnn2C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000432531383 859212479 /nfs/dbraw/zinc/21/24/79/859212479.db2.gz OYPPDXLHNPBFLF-CYBMUJFWSA-N 0 0 415.588 4.234 20 30 HIEDRN C=CCn1c(SCc2ncnn2C(C)C)nnc1-c1ccc(Br)cc1 ZINC000432534608 859213987 /nfs/dbraw/zinc/21/39/87/859213987.db2.gz LTTMWANTGFXHJT-UHFFFAOYSA-N 0 0 419.352 4.358 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000432536710 859215152 /nfs/dbraw/zinc/21/51/52/859215152.db2.gz DMESYDMWGBMOIQ-ZWKOTPCHSA-N 0 0 402.420 4.124 20 30 HIEDRN Cn1c2ccccc2nc1[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1ccccc1 ZINC000432542477 859217790 /nfs/dbraw/zinc/21/77/90/859217790.db2.gz UMPYJWVGUKBZOI-LJQANCHMSA-N 0 0 401.857 4.013 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000432603681 859250975 /nfs/dbraw/zinc/25/09/75/859250975.db2.gz WEKUBGCJGUGQPO-CVDCTZTESA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccccc3N3CCCCCC3)C2)nc1 ZINC000432684874 859293130 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30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434257260 860235155 /nfs/dbraw/zinc/23/51/55/860235155.db2.gz UFLAHSAHDVMINI-RUZDIDTESA-N 0 0 415.541 4.022 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c2)cc1 ZINC000434316710 860277500 /nfs/dbraw/zinc/27/75/00/860277500.db2.gz SKIJCDLXGPDVTJ-VQIMIIECSA-N 0 0 403.404 4.077 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n(C2CCOCC2)n1 ZINC000434330724 860293018 /nfs/dbraw/zinc/29/30/18/860293018.db2.gz QWKMYTQAXBNLSD-UHFFFAOYSA-N 0 0 416.481 4.246 20 30 HIEDRN CCc1n[nH]c(=O)c(CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1CC ZINC000434345230 860303206 /nfs/dbraw/zinc/30/32/06/860303206.db2.gz WPCCEMJVZVVGNY-UHFFFAOYSA-N 0 0 416.481 4.209 20 30 HIEDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000434360948 860311032 /nfs/dbraw/zinc/31/10/32/860311032.db2.gz DZZLVEXFVGZWDU-VXKWHMMOSA-N 0 0 422.504 4.231 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(F)(c3ccccc3)CC2)CC1 ZINC000434372667 860318501 /nfs/dbraw/zinc/31/85/01/860318501.db2.gz LZDDAFPZZWCUOF-UHFFFAOYSA-N 0 0 422.504 4.314 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CC3(CCCC3)c3ccccc32)cc1C(F)(F)F ZINC000434537129 860391471 /nfs/dbraw/zinc/39/14/71/860391471.db2.gz IWJCXKKBBIYTMT-UHFFFAOYSA-N 0 0 413.399 4.374 20 30 HIEDRN Cn1c(SCCC(C#N)(c2ccccc2)c2ccccc2)nnc1-c1cnccn1 ZINC000434649662 860446506 /nfs/dbraw/zinc/44/65/06/860446506.db2.gz BSPBJLMQDDQVRQ-UHFFFAOYSA-N 0 0 412.522 4.264 20 30 HIEDRN COc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000434780008 860493804 /nfs/dbraw/zinc/49/38/04/860493804.db2.gz WVAFRCWZUFZWAI-HXUWFJFHSA-N 0 0 422.529 4.206 20 30 HIEDRN Cc1oc(NC(=O)CN2CCC[C@@H]2c2ccc(Br)cc2)c(C#N)c1C ZINC000434797535 860497549 /nfs/dbraw/zinc/49/75/49/860497549.db2.gz YSMYZJRBKSOWFT-QGZVFWFLSA-N 0 0 402.292 4.306 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000434817902 860506826 /nfs/dbraw/zinc/50/68/26/860506826.db2.gz INGAPDAJYKJCOK-FQEVSTJZSA-N 0 0 410.493 4.240 20 30 HIEDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434843028 860517948 /nfs/dbraw/zinc/51/79/48/860517948.db2.gz NCVKAURYPNNBDE-CYBMUJFWSA-N 0 0 420.435 4.292 20 30 HIEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434847407 860520674 /nfs/dbraw/zinc/52/06/74/860520674.db2.gz CHEZXNABJNNPOF-CYBMUJFWSA-N 0 0 420.435 4.292 20 30 HIEDRN COC(=O)[C@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cccc(C#N)c1 ZINC000434861252 860526526 /nfs/dbraw/zinc/52/65/26/860526526.db2.gz LWIOZUPLMJCXFB-LJQANCHMSA-N 0 0 409.829 4.383 20 30 HIEDRN COC(=O)[C@@H](NCc1cccc(NC(=O)c2ccc(C)cc2)c1)c1cccc(C#N)c1 ZINC000434879970 860531846 /nfs/dbraw/zinc/53/18/46/860531846.db2.gz KTXUUVJAFDNABY-QHCPKHFHSA-N 0 0 413.477 4.123 20 30 HIEDRN COc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OC)c(C)c1OC ZINC000434969648 860580316 /nfs/dbraw/zinc/58/03/16/860580316.db2.gz RZWWAEYJQLTOHK-MJGOQNOKSA-N 0 0 409.486 4.325 20 30 HIEDRN CCOc1cc(CN(C)Cc2cc(C#N)ccc2F)cc(Br)c1OC ZINC000434983036 860585323 /nfs/dbraw/zinc/58/53/23/860585323.db2.gz OXKCYEJSRLKYBK-UHFFFAOYSA-N 0 0 407.283 4.499 20 30 HIEDRN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 ZINC000435080052 860631957 /nfs/dbraw/zinc/63/19/57/860631957.db2.gz ASNDJDBRPXJENM-CRAIPNDOSA-N 0 0 410.518 4.208 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2)c1ccc(F)c(F)c1 ZINC000435094289 860639174 /nfs/dbraw/zinc/63/91/74/860639174.db2.gz AZFNTSUFWSBVKY-XIKOKIGWSA-N 0 0 419.497 4.308 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1 ZINC000435096962 860640338 /nfs/dbraw/zinc/64/03/38/860640338.db2.gz PQYBZSPTRGZVNA-XZOQPEGZSA-N 0 0 405.542 4.227 20 30 HIEDRN C=CCC[C@H](NC(=O)NCc1ccc(Cn2ccccc2=O)cc1)c1ccccc1 ZINC000435107582 860644873 /nfs/dbraw/zinc/64/48/73/860644873.db2.gz HTYXDWDERRABNQ-QHCPKHFHSA-N 0 0 401.510 4.403 20 30 HIEDRN N#CCCn1cc(CNc2ccccc2OCC(F)(F)F)c(-c2ccncc2)n1 ZINC000435126881 860652798 /nfs/dbraw/zinc/65/27/98/860652798.db2.gz RZMPSVHLIZKJLK-UHFFFAOYSA-N 0 0 401.392 4.412 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000435136660 860658229 /nfs/dbraw/zinc/65/82/29/860658229.db2.gz FTEVHCKAIQKLOG-UHFFFAOYSA-N 0 0 423.538 4.384 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000435143606 860663596 /nfs/dbraw/zinc/66/35/96/860663596.db2.gz SSVGLFABOYBWKE-UHFFFAOYSA-N 0 0 418.541 4.187 20 30 HIEDRN C=CCn1c(SCc2cc(C#N)ccc2OC)nnc1[C@H]1COc2ccccc2O1 ZINC000435143667 860663724 /nfs/dbraw/zinc/66/37/24/860663724.db2.gz UGKFXPGYNHYLRN-HXUWFJFHSA-N 0 0 420.494 4.149 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000435149981 860666862 /nfs/dbraw/zinc/66/68/62/860666862.db2.gz LQWSJOWFTKXYNB-UHFFFAOYSA-N 0 0 406.392 4.410 20 30 HIEDRN COc1ccc(N(C(C)C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000435149778 860667039 /nfs/dbraw/zinc/66/70/39/860667039.db2.gz KIEJJFJZENZASN-UHFFFAOYSA-N 0 0 416.396 4.328 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(CCc2cccc(F)c2)C2CC2)cc1C(F)(F)F ZINC000435158213 860669857 /nfs/dbraw/zinc/66/98/57/860669857.db2.gz IZNMZWXFHHTLGE-UHFFFAOYSA-N 0 0 412.408 4.112 20 30 HIEDRN COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435159622 860670692 /nfs/dbraw/zinc/67/06/92/860670692.db2.gz UNCOTDMPXNYRJA-KRWDZBQOSA-N 0 0 410.417 4.111 20 30 HIEDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000435160612 860670901 /nfs/dbraw/zinc/67/09/01/860670901.db2.gz JURQTVMTCYTWDU-HNNXBMFYSA-N 0 0 400.447 4.473 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cc(Cl)ccc1Br ZINC000435167419 860674764 /nfs/dbraw/zinc/67/47/64/860674764.db2.gz YPUYXZAIRBCPJR-UHFFFAOYSA-N 0 0 406.711 4.358 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000435220381 860698200 /nfs/dbraw/zinc/69/82/00/860698200.db2.gz NSMKENJGBWDNQI-RDJZCZTQSA-N 0 0 423.307 4.049 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(F)ccc1Br ZINC000435224476 860698883 /nfs/dbraw/zinc/69/88/83/860698883.db2.gz COCKORVCPINAIO-UHFFFAOYSA-N 0 0 411.296 4.061 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000435224070 860698978 /nfs/dbraw/zinc/69/89/78/860698978.db2.gz BGMWCLKBSHPSPE-NSHDSACASA-N 0 0 423.872 4.267 20 30 HIEDRN C=CCC[C@@H](NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000435266534 860708437 /nfs/dbraw/zinc/70/84/37/860708437.db2.gz KGGOPOHMNYQQMC-QGZVFWFLSA-N 0 0 423.498 4.312 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000435294047 860723317 /nfs/dbraw/zinc/72/33/17/860723317.db2.gz FUTFNSKLLNKRKS-NRFANRHFSA-N 0 0 411.477 4.279 20 30 HIEDRN CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCN(c4ccccc4C#N)CC3)c2O1 ZINC000435334098 860744822 /nfs/dbraw/zinc/74/48/22/860744822.db2.gz WMNOFKDWSCLGPD-UHFFFAOYSA-N 0 0 410.905 4.279 20 30 HIEDRN CC(=Cc1ccc(Br)c(Br)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339591 860749250 /nfs/dbraw/zinc/74/92/50/860749250.db2.gz VXPUGITUNZNRSR-YVMONPNESA-N 0 0 409.081 4.036 20 30 HIEDRN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435354889 860755813 /nfs/dbraw/zinc/75/58/13/860755813.db2.gz SERWJQAEMFRKBZ-UHFFFAOYSA-N 0 0 411.527 4.214 20 30 HIEDRN COc1cc(NC(C)=O)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000435357505 860757996 /nfs/dbraw/zinc/75/79/96/860757996.db2.gz JYUQWLNVZRTABW-UHFFFAOYSA-N 0 0 415.449 4.357 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435357781 860758713 /nfs/dbraw/zinc/75/87/13/860758713.db2.gz KXPRXIFCXFGMLD-TZMCWYRMSA-N 0 0 409.433 4.207 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435357778 860758820 /nfs/dbraw/zinc/75/88/20/860758820.db2.gz KXPRXIFCXFGMLD-GXTWGEPZSA-N 0 0 409.433 4.207 20 30 HIEDRN Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000435403346 860786892 /nfs/dbraw/zinc/78/68/92/860786892.db2.gz URFGTRLKWORWMW-VXKWHMMOSA-N 0 0 407.514 4.023 20 30 HIEDRN CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)s2)C(C)(C)O1 ZINC000435434422 860798194 /nfs/dbraw/zinc/79/81/94/860798194.db2.gz YAHNQGZNSZPRLJ-KRWDZBQOSA-N 0 0 404.557 4.157 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000435441123 860800016 /nfs/dbraw/zinc/80/00/16/860800016.db2.gz AAFGLSSWGNBBEK-MEDUHNTESA-N 0 0 400.447 4.410 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435443417 860800614 /nfs/dbraw/zinc/80/06/14/860800614.db2.gz NSZULDRVXBMNGU-UHFFFAOYSA-N 0 0 411.483 4.334 20 30 HIEDRN N#C[C@H](C(=O)c1occc1Br)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000435481997 860814869 /nfs/dbraw/zinc/81/48/69/860814869.db2.gz UOIFCXHSVPHDIY-SECBINFHSA-N 0 0 418.272 4.121 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1C#N ZINC000435486503 860816917 /nfs/dbraw/zinc/81/69/17/860816917.db2.gz HYPQKUSEGGYECS-IBGZPJMESA-N 0 0 411.889 4.301 20 30 HIEDRN Cc1nc([C@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c2ccccc2F)no1 ZINC000435544959 860859826 /nfs/dbraw/zinc/85/98/26/860859826.db2.gz SVILTXFCVQFRRB-LJQANCHMSA-N 0 0 409.421 4.087 20 30 HIEDRN COc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1OC(F)F ZINC000435551926 860868650 /nfs/dbraw/zinc/86/86/50/860868650.db2.gz OKIJGDYRZRJADY-UHFFFAOYSA-N 0 0 405.401 4.277 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000435584220 860897173 /nfs/dbraw/zinc/89/71/73/860897173.db2.gz KNQAJXDCPLRQTM-ZHRRBRCNSA-N 0 0 424.453 4.006 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccccc1 ZINC000435593796 860899220 /nfs/dbraw/zinc/89/92/20/860899220.db2.gz SRCOWOMTCSJYMX-QFIPXVFZSA-N 0 0 407.514 4.424 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NCCCc3ccccn3)cc2F)c1 ZINC000435601540 860905432 /nfs/dbraw/zinc/90/54/32/860905432.db2.gz NSAWNEGZYGGYPX-UHFFFAOYSA-N 0 0 404.445 4.426 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C(=O)OC)nc2ccc(Br)cc21 ZINC000435602856 860905570 /nfs/dbraw/zinc/90/55/70/860905570.db2.gz GCHZGWNLHGTIAF-SGTLLEGYSA-N 0 0 405.292 4.177 20 30 HIEDRN C=CCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)c1ccccc1 ZINC000435605368 860909063 /nfs/dbraw/zinc/90/90/63/860909063.db2.gz HTJCMDGFNYAHKY-HXUWFJFHSA-N 0 0 401.532 4.204 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1C)c1ccccc1 ZINC000435666386 860945687 /nfs/dbraw/zinc/94/56/87/860945687.db2.gz XBXWVGLPZZFXGI-QFIPXVFZSA-N 0 0 407.514 4.296 20 30 HIEDRN CC(C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000435675371 860955419 /nfs/dbraw/zinc/95/54/19/860955419.db2.gz LKJIPFHQVWYJQW-UHFFFAOYSA-N 0 0 407.514 4.264 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)c1cc(C#N)oc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000435681209 860963324 /nfs/dbraw/zinc/96/33/24/860963324.db2.gz JIZOCVFSXLCZPD-GAJHUEQPSA-N 0 0 421.541 4.086 20 30 HIEDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000435705986 860986893 /nfs/dbraw/zinc/98/68/93/860986893.db2.gz PTQIBFBSFUZZDV-HXUWFJFHSA-N 0 0 404.466 4.144 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Br)c1ccccc1 ZINC000435744848 861025636 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HIEDRN N#CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccccc1 ZINC000439668640 864999883 /nfs/dbraw/zinc/99/98/83/864999883.db2.gz BHTCSQLGYZILQN-QUCCMNQESA-N 0 0 408.477 4.231 20 30 HIEDRN C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000439670780 865002421 /nfs/dbraw/zinc/00/24/21/865002421.db2.gz IFLQQTIYWYPTIR-AWEZNQCLSA-N 0 0 418.428 4.028 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc(C(=O)OC)c(F)c2)cnn1-c1cccc(C#N)c1 ZINC000439672179 865004857 /nfs/dbraw/zinc/00/48/57/865004857.db2.gz JPOLHLRTUVCZNS-UHFFFAOYSA-N 0 0 421.432 4.266 20 30 HIEDRN N#CCC[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 ZINC000439674507 865007320 /nfs/dbraw/zinc/00/73/20/865007320.db2.gz QAJSQVWBBWHJNP-IBGZPJMESA-N 0 0 404.495 4.099 20 30 HIEDRN CCCc1c(NC(=O)NCC2([C@H](C)CCO)CCC2)cnn1-c1cccc(C#N)c1 ZINC000439676176 865011189 /nfs/dbraw/zinc/01/11/89/865011189.db2.gz WDQQTUHMHRXBLV-QGZVFWFLSA-N 0 0 409.534 4.007 20 30 HIEDRN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)CC2 ZINC000439678311 865012262 /nfs/dbraw/zinc/01/22/62/865012262.db2.gz NQUUQMWTRJJPGS-NVXWUHKLSA-N 0 0 402.420 4.070 20 30 HIEDRN CCCc1c(NC(=O)NCC2(CCOC)CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439681763 865015623 /nfs/dbraw/zinc/01/56/23/865015623.db2.gz KGUHMWSTTVXZBR-UHFFFAOYSA-N 0 0 409.534 4.415 20 30 HIEDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000439685821 865021446 /nfs/dbraw/zinc/02/14/46/865021446.db2.gz GWIKPLNMAZQNGC-FYYLOGMGSA-N 0 0 416.525 4.439 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](CCO)C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439691402 865027692 /nfs/dbraw/zinc/02/76/92/865027692.db2.gz MYAMTEOBDCKPGW-FQEVSTJZSA-N 0 0 409.534 4.149 20 30 HIEDRN CCCc1c(NC(=O)N(CCO)Cc2ccc(C)cc2)cnn1-c1cccc(C#N)c1 ZINC000439691494 865028315 /nfs/dbraw/zinc/02/83/15/865028315.db2.gz NHYGVFGCNHPMHU-UHFFFAOYSA-N 0 0 417.513 4.031 20 30 HIEDRN CCCc1c(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cnn1-c1cccc(C#N)c1 ZINC000439701165 865038337 /nfs/dbraw/zinc/03/83/37/865038337.db2.gz IUXPEOIUTRDFIR-NRFANRHFSA-N 0 0 417.517 4.405 20 30 HIEDRN CCCc1c(NC(=O)NC[C@H](C)c2ncc(C)s2)cnn1-c1cccc(C#N)c1 ZINC000439702402 865039447 /nfs/dbraw/zinc/03/94/47/865039447.db2.gz NPAKBLGREALXFY-AWEZNQCLSA-N 0 0 408.531 4.387 20 30 HIEDRN C=CCN(C(=O)CCCc1cc(C)sc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000439741431 865074006 /nfs/dbraw/zinc/07/40/06/865074006.db2.gz DERINKUYBWIUAP-KRWDZBQOSA-N 0 0 409.559 4.439 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 ZINC000439851837 865159446 /nfs/dbraw/zinc/15/94/46/865159446.db2.gz MFCNBMBPXLLGCQ-UHFFFAOYSA-N 0 0 404.857 4.097 20 30 HIEDRN Cc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1S(=O)(=O)Nc1ccccc1F ZINC000439909575 865218199 /nfs/dbraw/zinc/21/81/99/865218199.db2.gz PRGOUNBMKMJGEG-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN N#Cc1ccc(-c2nnc(CN(CCc3ccccn3)Cc3ccc(F)cc3)o2)cc1 ZINC000439946629 865241166 /nfs/dbraw/zinc/24/11/66/865241166.db2.gz CCOWQELOZPAMLZ-UHFFFAOYSA-N 0 0 413.456 4.387 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000439974728 865267517 /nfs/dbraw/zinc/26/75/17/865267517.db2.gz RSFCGJAFIHOQNK-LJQANCHMSA-N 0 0 421.375 4.181 20 30 HIEDRN C=CCN(C(=O)NC[C@H](C)Sc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000440021262 865313634 /nfs/dbraw/zinc/31/36/34/865313634.db2.gz LLAWCDLUDRCSMS-ZWKOTPCHSA-N 0 0 422.558 4.102 20 30 HIEDRN CCOc1ccc(C(=O)N[C@@H](C(=O)N[C@H](CCC#N)c2ccccc2)C(C)C)cc1 ZINC000440033463 865317304 /nfs/dbraw/zinc/31/73/04/865317304.db2.gz CRAPJRPHOJGULO-FGZHOGPDSA-N 0 0 407.514 4.001 20 30 HIEDRN CCCc1c(NC(=O)CCc2cnn(-c3ccccc3)c2)cnn1-c1cccc(C#N)c1 ZINC000440078667 865342496 /nfs/dbraw/zinc/34/24/96/865342496.db2.gz NQOYTGKZBPXEFY-UHFFFAOYSA-N 0 0 424.508 4.453 20 30 HIEDRN CCCc1c(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cnn1-c1cccc(C#N)c1 ZINC000440078393 865342927 /nfs/dbraw/zinc/34/29/27/865342927.db2.gz LZCNSOGRNYLRRQ-CQSZACIVSA-N 0 0 410.424 4.381 20 30 HIEDRN CCCc1c(NC(=O)CCOc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C#N)c1 ZINC000440077215 865343053 /nfs/dbraw/zinc/34/30/53/865343053.db2.gz JXNKHUIHNWZROY-UHFFFAOYSA-N 0 0 419.441 4.012 20 30 HIEDRN CCCc1c(NC(=O)[C@H](c2ccccc2)n2cccn2)cnn1-c1cccc(C#N)c1 ZINC000440081328 865345821 /nfs/dbraw/zinc/34/58/21/865345821.db2.gz PYKXLLRWDHPLPJ-QHCPKHFHSA-N 0 0 410.481 4.121 20 30 HIEDRN CCCc1c(NC(=O)c2cnn(CCC)c2C2CC2)cnn1-c1cccc(C#N)c1 ZINC000440088835 865351723 /nfs/dbraw/zinc/35/17/23/865351723.db2.gz BSIDEIIKENJHOA-UHFFFAOYSA-N 0 0 402.502 4.433 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCC2CCN(c3ccccc3)CC2)o1 ZINC000468039021 881869420 /nfs/dbraw/zinc/86/94/20/881869420.db2.gz NPXDDCZVFFHXFE-UHFFFAOYSA-N 0 0 415.493 4.377 20 30 HIEDRN Cc1cc(C)c(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1Br ZINC000440217091 865453079 /nfs/dbraw/zinc/45/30/79/865453079.db2.gz QDPRWXWATZJLME-UHFFFAOYSA-N 0 0 406.667 4.168 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000440230867 865466625 /nfs/dbraw/zinc/46/66/25/865466625.db2.gz YHPDAKWUHXSUFU-UHFFFAOYSA-N 0 0 413.433 4.266 20 30 HIEDRN COc1cc(N[C@@H]2CCCN(C(=O)N[C@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000440235223 865473239 /nfs/dbraw/zinc/47/32/39/865473239.db2.gz CNWYBKJICWTNPU-AUSIDOKSSA-N 0 0 422.529 4.335 20 30 HIEDRN N#CCC[C@@H](NC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1 ZINC000440241211 865478251 /nfs/dbraw/zinc/47/82/51/865478251.db2.gz MOFVQYMANRJNRY-DOTOQJQBSA-N 0 0 422.312 4.077 20 30 HIEDRN CN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000440248884 865488499 /nfs/dbraw/zinc/48/84/99/865488499.db2.gz XYAOPZIDMFATQH-AZUAARDMSA-N 0 0 410.905 4.132 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000440251290 865492119 /nfs/dbraw/zinc/49/21/19/865492119.db2.gz BEFMUWOFZIMOSX-UHFFFAOYSA-N 0 0 402.907 4.392 20 30 HIEDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000440251838 865492757 /nfs/dbraw/zinc/49/27/57/865492757.db2.gz CXBXCFRCYPYOSX-SZMVWBNQSA-N 0 0 407.539 4.248 20 30 HIEDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440259942 865510793 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HIEDRN N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1 ZINC000468079912 881891091 /nfs/dbraw/zinc/89/10/91/881891091.db2.gz MPTLWUCJRRNKOI-KRWDZBQOSA-N 0 0 403.507 4.193 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000440435724 865737933 /nfs/dbraw/zinc/73/79/33/865737933.db2.gz DHDWHDFGBAZJTE-UHFFFAOYSA-N 0 0 407.420 4.180 20 30 HIEDRN C=CCCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000440454712 865758791 /nfs/dbraw/zinc/75/87/91/865758791.db2.gz RWRXXRAEQFDFKV-UHFFFAOYSA-N 0 0 416.909 4.411 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CSCCC(=O)OC(C)(C)C)c1C#N ZINC000440598515 865830580 /nfs/dbraw/zinc/83/05/80/865830580.db2.gz RODBCYPINHLCAD-UHFFFAOYSA-N 0 0 405.564 4.495 20 30 HIEDRN CCOc1ccc(-c2nc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)co2)cc1 ZINC000440610670 865837301 /nfs/dbraw/zinc/83/73/01/865837301.db2.gz HTAKNMQPUBUYIH-QHCPKHFHSA-N 0 0 402.498 4.123 20 30 HIEDRN COc1ccc2c(c1)nc(CNc1c(C#N)cnc3c(Br)cccc31)n2C ZINC000440644328 865854840 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C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000460558111 873282162 /nfs/dbraw/zinc/28/21/62/873282162.db2.gz JPZGJVHQJRUZRA-QGZVFWFLSA-N 0 0 422.529 4.311 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000460559469 873283339 /nfs/dbraw/zinc/28/33/39/873283339.db2.gz MIUJBDHVALQXNA-SFHVURJKSA-N 0 0 419.529 4.142 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000460560404 873286852 /nfs/dbraw/zinc/28/68/52/873286852.db2.gz CDOSPTXGKXBQIS-VQIMIIECSA-N 0 0 413.566 4.252 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)C(C)C ZINC000460562541 873290556 /nfs/dbraw/zinc/29/05/56/873290556.db2.gz SDKUXXGLLISUCE-QGZVFWFLSA-N 0 0 408.550 4.293 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N(Cc1cccc(Br)c1)C1CC1 ZINC000460562167 873291233 /nfs/dbraw/zinc/29/12/33/873291233.db2.gz RZQSTHIPJBXSGY-INIZCTEOSA-N 0 0 417.351 4.290 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC000460562502 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HIEDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000468616439 882729193 /nfs/dbraw/zinc/72/91/93/882729193.db2.gz AUGDBUQRSNZKEJ-HXUWFJFHSA-N 0 0 416.481 4.017 20 30 HIEDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000468616438 882730601 /nfs/dbraw/zinc/73/06/01/882730601.db2.gz AUGDBUQRSNZKEJ-FQEVSTJZSA-N 0 0 416.481 4.017 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC000460716342 873512562 /nfs/dbraw/zinc/51/25/62/873512562.db2.gz DGQSULSZEGTFTB-QHCPKHFHSA-N 0 0 415.541 4.455 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC000460717639 873515083 /nfs/dbraw/zinc/51/50/83/873515083.db2.gz QFUKWRJDEFFTDF-JOCHJYFZSA-N 0 0 401.514 4.367 20 30 HIEDRN COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)C)c1 ZINC000460755065 873593727 /nfs/dbraw/zinc/59/37/27/873593727.db2.gz RFDUHKGBCICBTM-ZDUSSCGKSA-N 0 0 406.328 4.111 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000460765277 873608413 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4.382 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460774315 873624013 /nfs/dbraw/zinc/62/40/13/873624013.db2.gz BOTRXEPBYDWDNJ-UHFFFAOYSA-N 0 0 419.485 4.213 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC000460773938 873624967 /nfs/dbraw/zinc/62/49/67/873624967.db2.gz WHQRYVWEKKNDTO-UHFFFAOYSA-N 0 0 421.520 4.276 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000460774606 873624978 /nfs/dbraw/zinc/62/49/78/873624978.db2.gz OGSQJNBNZKKSOY-FKBYEOEOSA-N 0 0 418.545 4.174 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000460777476 873629486 /nfs/dbraw/zinc/62/94/86/873629486.db2.gz HCFXDQQZEUHVTH-PGRDOPGGSA-N 0 0 401.514 4.441 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCc2c(F)cc(F)cc2C1 ZINC000460777583 873630274 /nfs/dbraw/zinc/63/02/74/873630274.db2.gz HTXVBBAHLCNLGM-NRFANRHFSA-N 0 0 424.451 4.208 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCc2ccc(O)cc2C1 ZINC000460777763 873630306 /nfs/dbraw/zinc/63/03/06/873630306.db2.gz INHNHYSQFFNARG-UHFFFAOYSA-N 0 0 422.554 4.423 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000460779945 873634675 /nfs/dbraw/zinc/63/46/75/873634675.db2.gz FYOFUSHVTXNDDO-LPHOPBHVSA-N 0 0 410.497 4.208 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(CCCO)[C@H]1CCc2ccccc21 ZINC000460781596 873638762 /nfs/dbraw/zinc/63/87/62/873638762.db2.gz ZUJPNXRNVOWRRU-NRFANRHFSA-N 0 0 403.530 4.101 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000460784400 873642798 /nfs/dbraw/zinc/64/27/98/873642798.db2.gz NWKJUVOQSFNNMN-SFHVURJKSA-N 0 0 411.525 4.003 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000460792049 873656711 /nfs/dbraw/zinc/65/67/11/873656711.db2.gz HNYNYBBRXDSWRI-BDTNDASRSA-N 0 0 402.546 4.417 20 30 HIEDRN CC(=O)Nc1cccc(-n2c(SCc3ccc(F)c(C#N)c3)nnc2C2CC2)c1 ZINC000468624696 882746004 /nfs/dbraw/zinc/74/60/04/882746004.db2.gz DGZUKTOQTIPRHX-UHFFFAOYSA-N 0 0 407.474 4.406 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CCc1nccs1)C(C)C ZINC000460798730 873669500 /nfs/dbraw/zinc/66/95/00/873669500.db2.gz YFFFDXSQDQTRHC-UHFFFAOYSA-N 0 0 412.519 4.343 20 30 HIEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](c2nncn2CC)C1 ZINC000460799904 873670902 /nfs/dbraw/zinc/67/09/02/873670902.db2.gz AUFKOVHZCJNMSI-OAQYLSRUSA-N 0 0 419.577 4.025 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000460800672 873672154 /nfs/dbraw/zinc/67/21/54/873672154.db2.gz FDRAMMWSPBBHGF-IBGZPJMESA-N 0 0 423.540 4.141 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000460802254 873674899 /nfs/dbraw/zinc/67/48/99/873674899.db2.gz JORAENCKMAPUKY-HXUWFJFHSA-N 0 0 408.546 4.242 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000460803601 873676569 /nfs/dbraw/zinc/67/65/69/873676569.db2.gz LEWMPDYXHXPSKD-HNNXBMFYSA-N 0 0 422.371 4.255 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000460805108 873678815 /nfs/dbraw/zinc/67/88/15/873678815.db2.gz QDNYNPRSVYOWSJ-UHFFFAOYSA-N 0 0 420.904 4.121 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000460804243 873678969 /nfs/dbraw/zinc/67/89/69/873678969.db2.gz IHFZLKSSQZEHGL-DRUFCSCSSA-N 0 0 417.513 4.059 20 30 HIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000460805499 873681325 /nfs/dbraw/zinc/68/13/25/873681325.db2.gz RYKODAIEKMWUET-LJQANCHMSA-N 0 0 403.486 4.029 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C)[C@H]1C ZINC000460807315 873682541 /nfs/dbraw/zinc/68/25/41/873682541.db2.gz RXYXYHUJGQZQBD-HZPDHXFCSA-N 0 0 400.523 4.172 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC(=C)C ZINC000460806386 873682706 /nfs/dbraw/zinc/68/27/06/873682706.db2.gz PDYBRGQQNBDTBR-UHFFFAOYSA-N 0 0 413.572 4.100 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C)[C@@H]1C ZINC000460807314 873683321 /nfs/dbraw/zinc/68/33/21/873683321.db2.gz RXYXYHUJGQZQBD-HOTGVXAUSA-N 0 0 400.523 4.172 20 30 HIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000460813568 873694778 /nfs/dbraw/zinc/69/47/78/873694778.db2.gz ZRAYGYVANHUPLT-UHFFFAOYSA-N 0 0 413.953 4.128 20 30 HIEDRN C[C@@H]1CCCN(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 ZINC000460825633 873710572 /nfs/dbraw/zinc/71/05/72/873710572.db2.gz YAHDCTUDCLTUEG-GFCCVEGCSA-N 0 0 407.483 4.100 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(SCc2nc3ccc(Br)cc3o2)n1 ZINC000460873951 873781662 /nfs/dbraw/zinc/78/16/62/873781662.db2.gz UZOUBPCDRBECOO-UHFFFAOYSA-N 0 0 418.272 4.326 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)n2C[C@@H]2CCCO2)c1 ZINC000460900376 873809825 /nfs/dbraw/zinc/80/98/25/873809825.db2.gz CKKGDQYOILWBHV-IRTDRNSJSA-N 0 0 403.530 4.011 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCO2)c1 ZINC000460923486 873828235 /nfs/dbraw/zinc/82/82/35/873828235.db2.gz DFSQLNXLRYOBGZ-MOPGFXCFSA-N 0 0 411.550 4.206 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC000460928468 873832069 /nfs/dbraw/zinc/83/20/69/873832069.db2.gz AYTFAEGZPAKFQD-KRWDZBQOSA-N 0 0 410.543 4.122 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC000460932401 873834453 /nfs/dbraw/zinc/83/44/53/873834453.db2.gz DNXATMIYEWBZNB-UHFFFAOYSA-N 0 0 409.446 4.215 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(Cc1ccccc1)CC(C)C ZINC000460931863 873834559 /nfs/dbraw/zinc/83/45/59/873834559.db2.gz IAXHGRMTFYXOKD-UHFFFAOYSA-N 0 0 407.518 4.040 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCc2cc(F)ccc2C1 ZINC000460935018 873835616 /nfs/dbraw/zinc/83/56/16/873835616.db2.gz JOKUFUJBRFATCC-OAQYLSRUSA-N 0 0 406.461 4.069 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCc2cc(F)ccc2C1 ZINC000460935017 873835709 /nfs/dbraw/zinc/83/57/09/873835709.db2.gz JOKUFUJBRFATCC-NRFANRHFSA-N 0 0 406.461 4.069 20 30 HIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000460936231 873837410 /nfs/dbraw/zinc/83/74/10/873837410.db2.gz FKOUJNQMYKJKDX-JOCHJYFZSA-N 0 0 419.529 4.110 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC000460937172 873838415 /nfs/dbraw/zinc/83/84/15/873838415.db2.gz NVASAXYDKFJYCD-XLIONFOSSA-N 0 0 423.542 4.473 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000460941199 873841037 /nfs/dbraw/zinc/84/10/37/873841037.db2.gz ROZZYDLKHOEQSO-AUSIDOKSSA-N 0 0 418.541 4.399 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N(CCOC)Cc1scnc1C ZINC000460941291 873841265 /nfs/dbraw/zinc/84/12/65/873841265.db2.gz SDEUQRXRTAYCIW-UHFFFAOYSA-N 0 0 415.538 4.387 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000460941540 873841852 /nfs/dbraw/zinc/84/18/52/873841852.db2.gz XHNLBQMVIVAEHA-UHFFFAOYSA-N 0 0 410.468 4.412 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCCC(C)(C)C1 ZINC000460942419 873842958 /nfs/dbraw/zinc/84/29/58/873842958.db2.gz ZZULZXXUFSPOTA-UHFFFAOYSA-N 0 0 409.582 4.045 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCCC)c(=O)c3ccccc32)nnc1N1CC=C(C)CC1 ZINC000460942626 873843135 /nfs/dbraw/zinc/84/31/35/873843135.db2.gz CABFBAHABUGHKV-UHFFFAOYSA-N 0 0 418.545 4.188 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC000460944619 873843637 /nfs/dbraw/zinc/84/36/37/873843637.db2.gz GSDCYWUMNKFQKK-CYBMUJFWSA-N 0 0 411.344 4.365 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000460944033 873843692 /nfs/dbraw/zinc/84/36/92/873843692.db2.gz PGNMRNIBWUOGNJ-JWRCQZCYSA-N 0 0 412.559 4.167 20 30 HIEDRN CCc1ncc(S(=O)(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)s1 ZINC000460946989 873845964 /nfs/dbraw/zinc/84/59/64/873845964.db2.gz DQKGEBQXGGIHDO-UHFFFAOYSA-N 0 0 415.515 4.107 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000460946884 873845966 /nfs/dbraw/zinc/84/59/66/873845966.db2.gz DFKJYOISDNGDPO-UHFFFAOYSA-N 0 0 407.474 4.117 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@H](SCC)C1 ZINC000460948679 873846781 /nfs/dbraw/zinc/84/67/81/873846781.db2.gz KEVGZKICZQKDFM-INIZCTEOSA-N 0 0 424.574 4.282 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)C1CCC(OC)CC1 ZINC000460949432 873847636 /nfs/dbraw/zinc/84/76/36/873847636.db2.gz LTLLRIHEHVERHP-UJKMTWAASA-N 0 0 410.562 4.493 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460950344 873848597 /nfs/dbraw/zinc/84/85/97/873848597.db2.gz FDDWYFRDNZUNMG-OAQYLSRUSA-N 0 0 409.917 4.249 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(CC)Cc1ccc(OC)cc1OC ZINC000460950406 873848904 /nfs/dbraw/zinc/84/89/04/873848904.db2.gz FUUYWUQQQQYTOF-UHFFFAOYSA-N 0 0 407.518 4.268 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC000460950672 873849595 /nfs/dbraw/zinc/84/95/95/873849595.db2.gz REECWYGHIFHASB-LJQANCHMSA-N 0 0 421.570 4.057 20 30 HIEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000460952151 873850868 /nfs/dbraw/zinc/85/08/68/873850868.db2.gz ZTRKUNCSRGXONA-UHFFFAOYSA-N 0 0 418.545 4.076 20 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/nfs/dbraw/zinc/85/45/77/873854577.db2.gz HUBHLTJTQKJPCV-MRXNPFEDSA-N 0 0 408.502 4.441 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000460959392 873856456 /nfs/dbraw/zinc/85/64/56/873856456.db2.gz NNVLBLKGLUNLRN-WMLDXEAASA-N 0 0 410.440 4.158 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000460961175 873857188 /nfs/dbraw/zinc/85/71/88/873857188.db2.gz VCVHWFXMJFDNHG-LJQANCHMSA-N 0 0 403.530 4.177 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000460963911 873860821 /nfs/dbraw/zinc/86/08/21/873860821.db2.gz PVBFEROKMSMRKN-SJORKVTESA-N 0 0 402.564 4.162 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000460965543 873862586 /nfs/dbraw/zinc/86/25/86/873862586.db2.gz ZSVZSGWSEIXCHN-UHFFFAOYSA-N 0 0 411.412 4.270 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000460965425 873863002 /nfs/dbraw/zinc/86/30/02/873863002.db2.gz ZPJZZSIFBINLHR-QFBILLFUSA-N 0 0 423.492 4.104 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000460973823 873868270 /nfs/dbraw/zinc/86/82/70/873868270.db2.gz YRIDWCJCBCEQCG-UHFFFAOYSA-N 0 0 412.799 4.465 20 30 HIEDRN C[C@@H](Sc1cccc(C#N)c1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000468635307 882768361 /nfs/dbraw/zinc/76/83/61/882768361.db2.gz NZWPRGQDNGLBFN-LLVKDONJSA-N 0 0 405.401 4.043 20 30 HIEDRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000460985246 873874314 /nfs/dbraw/zinc/87/43/14/873874314.db2.gz WVFMRVKMTBODON-UHFFFAOYSA-N 0 0 423.476 4.473 20 30 HIEDRN O=C1[C@H](SCCOCC(F)(F)C(F)(F)F)CCN1c1c(F)cccc1F ZINC000468637824 882769951 /nfs/dbraw/zinc/76/99/51/882769951.db2.gz JCOBXFMOQFRNHL-LLVKDONJSA-N 0 0 405.335 4.018 20 30 HIEDRN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 ZINC000461024640 873890866 /nfs/dbraw/zinc/89/08/66/873890866.db2.gz BVIRAEKDJRIQHW-UHFFFAOYSA-N 0 0 420.494 4.234 20 30 HIEDRN N#C[C@H]1N(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCC[C@@]12CCCCO2 ZINC000468637103 882771109 /nfs/dbraw/zinc/77/11/09/882771109.db2.gz GRESPTARZRIBHL-XLIONFOSSA-N 0 0 403.454 4.156 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCO1 ZINC000461041166 873899830 /nfs/dbraw/zinc/89/98/30/873899830.db2.gz HTEOWUULXAUZOR-DZGCQCFKSA-N 0 0 424.332 4.081 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(Cc2cccc3ccccc32)n1C[C@H]1CCCO1 ZINC000461047193 873914854 /nfs/dbraw/zinc/91/48/54/873914854.db2.gz GCZUXBUORHPNND-JOCHJYFZSA-N 0 0 415.541 4.331 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO1 ZINC000461051873 873924492 /nfs/dbraw/zinc/92/44/92/873924492.db2.gz NNCSNTGRIPEPMZ-OAQYLSRUSA-N 0 0 403.530 4.063 20 30 HIEDRN CC(C)N(Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461053474 873927176 /nfs/dbraw/zinc/92/71/76/873927176.db2.gz QFJJIFLAMSISDZ-JOCHJYFZSA-N 0 0 401.514 4.411 20 30 HIEDRN CCCN(Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461055884 873930352 /nfs/dbraw/zinc/93/03/52/873930352.db2.gz GNJPHHCHZCCOOQ-QFIPXVFZSA-N 0 0 401.514 4.412 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc(Cl)c1OCC(C)C ZINC000468640891 882774983 /nfs/dbraw/zinc/77/49/83/882774983.db2.gz YCRAENABTQCNPD-SIKLNZKXSA-N 0 0 420.937 4.451 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4cc(Cl)ccc4C3)n2C[C@H]2CCCO2)c1 ZINC000461057213 873932742 /nfs/dbraw/zinc/93/27/42/873932742.db2.gz JPDGFYDYNQHZRJ-OAQYLSRUSA-N 0 0 419.916 4.212 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc(Cl)c1OCC(C)C ZINC000468640890 882775345 /nfs/dbraw/zinc/77/53/45/882775345.db2.gz YCRAENABTQCNPD-KNQAVFIVSA-N 0 0 420.937 4.451 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO1 ZINC000461061292 873939962 /nfs/dbraw/zinc/93/99/62/873939962.db2.gz GAHOGPCFXYRQKH-VQIMIIECSA-N 0 0 402.926 4.429 20 30 HIEDRN Cc1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO2)c2ccccc2n1 ZINC000461061916 873943223 /nfs/dbraw/zinc/94/32/23/873943223.db2.gz SSUMKRPCJZMFQN-LJQANCHMSA-N 0 0 416.529 4.111 20 30 HIEDRN CCS[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 ZINC000461067236 873950404 /nfs/dbraw/zinc/95/04/04/873950404.db2.gz OKLIHHUNRQMYMS-WOJBJXKFSA-N 0 0 411.575 4.108 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(Cc2ccc3ccccc3c2)n1C[C@H]1CCCO1 ZINC000461069643 873957037 /nfs/dbraw/zinc/95/70/37/873957037.db2.gz RMKMCOXVQCLBFO-HSZRJFAPSA-N 0 0 415.541 4.331 20 30 HIEDRN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000468644443 882780628 /nfs/dbraw/zinc/78/06/28/882780628.db2.gz BFKADWGZAUVTMG-AVRDEDQJSA-N 0 0 412.921 4.360 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(N2CN=NC2=O)c1C ZINC000461094362 874010453 /nfs/dbraw/zinc/01/04/53/874010453.db2.gz ZIQKCMYMZLVTPD-UHFFFAOYSA-N 0 0 418.375 4.117 20 30 HIEDRN C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000461096441 874013843 /nfs/dbraw/zinc/01/38/43/874013843.db2.gz UKCMALMAIXOFKC-MGPUTAFESA-N 0 0 401.304 4.248 20 30 HIEDRN COc1ccc(SC)c(OC)c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000461107262 874029488 /nfs/dbraw/zinc/02/94/88/874029488.db2.gz 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N#Cc1ccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@H]2CCCO2)cc1 ZINC000461140257 874082165 /nfs/dbraw/zinc/08/21/65/874082165.db2.gz ACGGZXSPQFKYFD-LJQANCHMSA-N 0 0 419.916 4.212 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCCO1)C1CC1 ZINC000461140599 874082250 /nfs/dbraw/zinc/08/22/50/874082250.db2.gz DTDBJIHCRFKVBC-IBGZPJMESA-N 0 0 412.534 4.075 20 30 HIEDRN C=CCN(c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO1)C1CC1 ZINC000461145623 874090890 /nfs/dbraw/zinc/09/08/90/874090890.db2.gz BWKVQJTVZURFDQ-HNNXBMFYSA-N 0 0 403.324 4.041 20 30 HIEDRN C=CCN(CCOC)c1nnc(-c2cc(Cl)ccc2Cl)n1C[C@@H]1CCCO1 ZINC000461157877 874113953 /nfs/dbraw/zinc/11/39/53/874113953.db2.gz YPMMHMIVFXQRBW-HNNXBMFYSA-N 0 0 411.333 4.070 20 30 HIEDRN CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468659108 882794664 /nfs/dbraw/zinc/79/46/64/882794664.db2.gz NCXZGANLMCBRPM-VWNXMTODSA-N 0 0 412.530 4.282 20 30 HIEDRN C=CCn1c(SCc2cn(-c3ccc(Cl)cc3)nn2)nnc1-c1ccncc1 ZINC000468656562 882794771 /nfs/dbraw/zinc/79/47/71/882794771.db2.gz XOIPDBJIUSCIKK-UHFFFAOYSA-N 0 0 409.906 4.053 20 30 HIEDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468658137 882794788 /nfs/dbraw/zinc/79/47/88/882794788.db2.gz FYITXOBMHGVDDK-KNQAVFIVSA-N 0 0 417.937 4.392 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCCO1 ZINC000461172950 874145601 /nfs/dbraw/zinc/14/56/01/874145601.db2.gz YNJNPTDAGSWWNQ-GGAORHGYSA-N 0 0 416.525 4.326 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)NCc3ncc(-c4ccccc4)cn3)o2)cc1 ZINC000461172523 874145782 /nfs/dbraw/zinc/14/57/82/874145782.db2.gz SKUHHNWXDRGNEX-UHFFFAOYSA-N 0 0 410.433 4.117 20 30 HIEDRN C[C@@H]1[C@H](c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461173513 874147700 /nfs/dbraw/zinc/14/77/00/874147700.db2.gz VPAWTSBQLGLVGW-YFXJRYMSSA-N 0 0 413.525 4.378 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461178184 874159403 /nfs/dbraw/zinc/15/94/03/874159403.db2.gz HZFCNVKYXYZZTL-NRFANRHFSA-N 0 0 417.488 4.327 20 30 HIEDRN CCOC(=O)[C@@H](CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccccc1 ZINC000461192928 874188670 /nfs/dbraw/zinc/18/86/70/874188670.db2.gz RQZZVBUQOTWGOW-QHCPKHFHSA-N 0 0 413.477 4.379 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCC[C@@]12CCCCO2 ZINC000468661811 882795878 /nfs/dbraw/zinc/79/58/78/882795878.db2.gz MEIRKXMQZSIAPY-AVRDEDQJSA-N 0 0 424.526 4.460 20 30 HIEDRN CCSc1ccc(Cl)cc1C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000461197072 874195099 /nfs/dbraw/zinc/19/50/99/874195099.db2.gz RZFXYMXMFOGYPJ-UHFFFAOYSA-N 0 0 406.964 4.051 20 30 HIEDRN C[C@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC[C@H]1c1ccccc1 ZINC000461212050 874213584 /nfs/dbraw/zinc/21/35/84/874213584.db2.gz OHLIUULWNJXTLY-NZQKXSOJSA-N 0 0 403.526 4.366 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461250218 874253360 /nfs/dbraw/zinc/25/33/60/874253360.db2.gz BGOVXOHNEQNROL-LJQANCHMSA-N 0 0 405.527 4.250 20 30 HIEDRN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC2(CCC2(F)F)C1 ZINC000461284257 874290244 /nfs/dbraw/zinc/29/02/44/874290244.db2.gz PADWGWKJPDEPIR-UHFFFAOYSA-N 0 0 403.269 4.361 20 30 HIEDRN COc1cc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)c2ccccc2n1 ZINC000461283276 874290589 /nfs/dbraw/zinc/29/05/89/874290589.db2.gz ITKXQOPLJOHCOE-UHFFFAOYSA-N 0 0 404.495 4.039 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Oc3ccc(F)cc3F)cc2)cn1 ZINC000461284721 874290631 /nfs/dbraw/zinc/29/06/31/874290631.db2.gz NNXVXXYETUHXOT-UHFFFAOYSA-N 0 0 417.375 4.462 20 30 HIEDRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461291607 874297660 /nfs/dbraw/zinc/29/76/60/874297660.db2.gz TVWCRNQHHZWDIF-KRWDZBQOSA-N 0 0 409.449 4.212 20 30 HIEDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000461297046 874302865 /nfs/dbraw/zinc/30/28/65/874302865.db2.gz DRNGDAMVADJCKC-PGRDOPGGSA-N 0 0 407.489 4.462 20 30 HIEDRN COc1cc(-c2ccccc2)sc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461300805 874306108 /nfs/dbraw/zinc/30/61/08/874306108.db2.gz KRKLBSSKRJJMJL-UHFFFAOYSA-N 0 0 401.451 4.128 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cn1 ZINC000461304208 874310071 /nfs/dbraw/zinc/31/00/71/874310071.db2.gz YNENIIMCFLPSEK-UHFFFAOYSA-N 0 0 424.342 4.065 20 30 HIEDRN N#Cc1cccc([C@H]2CN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)CCO2)c1 ZINC000461358029 874359546 /nfs/dbraw/zinc/35/95/46/874359546.db2.gz GNJZZTWDHQRZSQ-GOSISDBHSA-N 0 0 406.511 4.122 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c1C#N ZINC000461365644 874367773 /nfs/dbraw/zinc/36/77/73/874367773.db2.gz UBRYTRKSBXEKKB-GFCCVEGCSA-N 0 0 401.919 4.403 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)c1C#N ZINC000461365645 874368353 /nfs/dbraw/zinc/36/83/53/874368353.db2.gz UBRYTRKSBXEKKB-LBPRGKRZSA-N 0 0 401.919 4.403 20 30 HIEDRN COCCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccc(C#N)cc1 ZINC000461386772 874392533 /nfs/dbraw/zinc/39/25/33/874392533.db2.gz JWJCVKYAURPHES-UHFFFAOYSA-N 0 0 408.527 4.197 20 30 HIEDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)no1 ZINC000461414993 874433305 /nfs/dbraw/zinc/43/33/05/874433305.db2.gz JZCYPFNHGTVPPZ-OAHLLOKOSA-N 0 0 406.442 4.150 20 30 HIEDRN N#CCCn1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461428903 874467452 /nfs/dbraw/zinc/46/74/52/874467452.db2.gz SZFHVBXOBVGGJF-CGTJXYLNSA-N 0 0 407.474 4.071 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000461430315 874474125 /nfs/dbraw/zinc/47/41/25/874474125.db2.gz XNAPREXSTRXMJC-WFASDCNBSA-N 0 0 405.321 4.310 20 30 HIEDRN CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461486891 874549975 /nfs/dbraw/zinc/54/99/75/874549975.db2.gz LJSAOHAPYTVLSM-UHFFFAOYSA-N 0 0 413.572 4.028 20 30 HIEDRN C[C@H](O)C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 ZINC000468754280 882844355 /nfs/dbraw/zinc/84/43/55/882844355.db2.gz ADTIZQWPKLBAHU-CYFREDJKSA-N 0 0 414.505 4.422 20 30 HIEDRN Cc1ccc([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 ZINC000461519800 874601663 /nfs/dbraw/zinc/60/16/63/874601663.db2.gz FLOXSZGTEFLSBI-AZUAARDMSA-N 0 0 401.514 4.359 20 30 HIEDRN Cc1ccc([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 ZINC000461519801 874601895 /nfs/dbraw/zinc/60/18/95/874601895.db2.gz FLOXSZGTEFLSBI-ICSRJNTNSA-N 0 0 401.514 4.359 20 30 HIEDRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 ZINC000461522728 874605307 /nfs/dbraw/zinc/60/53/07/874605307.db2.gz XYZHAHUCVWBOSP-RTWAWAEBSA-N 0 0 423.561 4.028 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)n1C[C@H]1CCOC1 ZINC000461533188 874619808 /nfs/dbraw/zinc/61/98/08/874619808.db2.gz MLKAQZVVWOEXOH-LJQANCHMSA-N 0 0 419.485 4.082 20 30 HIEDRN Cc1ccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@@H]2CCOC2)s1 ZINC000461536937 874624001 /nfs/dbraw/zinc/62/40/01/874624001.db2.gz OANGLOLKXPMKJM-IBGZPJMESA-N 0 0 419.554 4.392 20 30 HIEDRN C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)c2ccccc21 ZINC000461555899 874646385 /nfs/dbraw/zinc/64/63/85/874646385.db2.gz DQPPNGFNAHYICK-PKOBYXMFSA-N 0 0 415.497 4.020 20 30 HIEDRN C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@@H]1CCOC1)C1CC1 ZINC000461556903 874647860 /nfs/dbraw/zinc/64/78/60/874647860.db2.gz LZPCFAMHIZCWGD-ZDUSSCGKSA-N 0 0 421.314 4.038 20 30 HIEDRN CC(C)CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461561464 874655311 /nfs/dbraw/zinc/65/53/11/874655311.db2.gz FOETUCFSXJMXOH-NHCUHLMSSA-N 0 0 423.561 4.170 20 30 HIEDRN Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 ZINC000468768148 882850603 /nfs/dbraw/zinc/85/06/03/882850603.db2.gz ARNSKNXIGNIFCJ-FQEVSTJZSA-N 0 0 422.598 4.398 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCOC1 ZINC000461575120 874679069 /nfs/dbraw/zinc/67/90/69/874679069.db2.gz TWPSIFFVSVPSBB-LJQANCHMSA-N 0 0 420.561 4.153 20 30 HIEDRN C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1(N2CCOCC2)CCCC1 ZINC000461581579 874689376 /nfs/dbraw/zinc/68/93/76/874689376.db2.gz HPTIXCCFPZNXLH-LJQANCHMSA-N 0 0 419.525 4.114 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000468771476 882853146 /nfs/dbraw/zinc/85/31/46/882853146.db2.gz ASUOTONACBBSSB-FGZHOGPDSA-N 0 0 400.482 4.657 20 30 HIEDRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461585454 874697587 /nfs/dbraw/zinc/69/75/87/874697587.db2.gz JARMKSHVUMODJV-FUHWJXTLSA-N 0 0 405.477 4.190 20 30 HIEDRN Cc1cc(C)c2c(c1)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCOC1)CC2 ZINC000461592438 874712453 /nfs/dbraw/zinc/71/24/53/874712453.db2.gz CPKTZBLMOOTTCR-FQEVSTJZSA-N 0 0 413.525 4.033 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC000461597400 874723638 /nfs/dbraw/zinc/72/36/38/874723638.db2.gz FCINUBROVSZWIP-FPOVZHCZSA-N 0 0 405.546 4.424 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccc(F)c3)n2C[C@H]2CCOC2)c1 ZINC000461603120 874736374 /nfs/dbraw/zinc/73/63/74/874736374.db2.gz NGAAMCQFVXNJHJ-GCJKJVERSA-N 0 0 417.488 4.334 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@@H]1CCOC1 ZINC000461613167 874758378 /nfs/dbraw/zinc/75/83/78/874758378.db2.gz HOYURTRBXUQHLV-QFIPXVFZSA-N 0 0 405.546 4.112 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000461650743 874806596 /nfs/dbraw/zinc/80/65/96/874806596.db2.gz VVAJYLBPVKSRQQ-GOSISDBHSA-N 0 0 417.431 4.114 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCCc4ccccc4C3)n2C[C@@H]2CCCCO2)cc1 ZINC000461658271 874811780 /nfs/dbraw/zinc/81/17/80/874811780.db2.gz MIRFFVUDDMFTFS-QHCPKHFHSA-N 0 0 413.525 4.339 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461673351 874823758 /nfs/dbraw/zinc/82/37/58/874823758.db2.gz VLEJDVNGGKTOBF-YLJYHZDGSA-N 0 0 419.554 4.429 20 30 HIEDRN N#CCN1CCC(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000461679143 874828763 /nfs/dbraw/zinc/82/87/63/874828763.db2.gz ZQPYDGUEVHAEPC-UHFFFAOYSA-N 0 0 401.432 4.338 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCOC1 ZINC000461681383 874831514 /nfs/dbraw/zinc/83/15/14/874831514.db2.gz GXSSXLMWHCRFGN-CQSZACIVSA-N 0 0 423.330 4.286 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@@H]2CCOC2)c1 ZINC000461691662 874841596 /nfs/dbraw/zinc/84/15/96/874841596.db2.gz DLWSNGSEWVNHLR-FQEVSTJZSA-N 0 0 411.509 4.147 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCOC1 ZINC000461695661 874845672 /nfs/dbraw/zinc/84/56/72/874845672.db2.gz IXVWKWVMLCORLS-RDJZCZTQSA-N 0 0 422.558 4.152 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CC3CC3)C3CCCCC3)n2C[C@@H]2CCOC2)c1 ZINC000461704325 874854554 /nfs/dbraw/zinc/85/45/54/874854554.db2.gz QHTZBIQNYDFJLG-FQEVSTJZSA-N 0 0 405.546 4.402 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cccc(I)c1 ZINC000461707690 874856879 /nfs/dbraw/zinc/85/68/79/874856879.db2.gz VRPMBJNBYNNULL-UHFFFAOYSA-N 0 0 405.239 4.237 20 30 HIEDRN Cc1ccsc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCOC1 ZINC000461707651 874856966 /nfs/dbraw/zinc/85/69/66/874856966.db2.gz MXVHFCMOXWQZRE-LJQANCHMSA-N 0 0 419.554 4.392 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000461709113 874857867 /nfs/dbraw/zinc/85/78/67/874857867.db2.gz PUSVLZUXJQMNJE-UHFFFAOYSA-N 0 0 407.449 4.449 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCOC1 ZINC000461709359 874858067 /nfs/dbraw/zinc/85/80/67/874858067.db2.gz YCGHXCWDBQSJJR-HXUWFJFHSA-N 0 0 406.530 4.042 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC1 ZINC000461711793 874860730 /nfs/dbraw/zinc/86/07/30/874860730.db2.gz YJEQVBLDZAXJKP-FQEVSTJZSA-N 0 0 404.514 4.183 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCOC1 ZINC000461713336 874862318 /nfs/dbraw/zinc/86/23/18/874862318.db2.gz SUIZQQAVRATBKE-HXUWFJFHSA-N 0 0 420.561 4.084 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000461714697 874863771 /nfs/dbraw/zinc/86/37/71/874863771.db2.gz JITRLFGWZUXTKF-UHFFFAOYSA-N 0 0 419.485 4.400 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCO1 ZINC000461729427 874876356 /nfs/dbraw/zinc/87/63/56/874876356.db2.gz IPVQQNDSCDDWCU-JKSUJKDBSA-N 0 0 422.982 4.259 20 30 HIEDRN CCN(Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461731591 874877306 /nfs/dbraw/zinc/87/73/06/874877306.db2.gz PGSJPGOCSUIAKK-JOCHJYFZSA-N 0 0 401.514 4.412 20 30 HIEDRN CC(=O)Nc1cccc(Nc2nnc(Sc3nc(C)c(C#N)cc3Cl)s2)c1 ZINC000461734305 874879688 /nfs/dbraw/zinc/87/96/88/874879688.db2.gz PUBKLRHYFWVFRK-UHFFFAOYSA-N 0 0 416.919 4.620 20 30 HIEDRN Cc1nc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)cc1C#N ZINC000461733793 874879782 /nfs/dbraw/zinc/87/97/82/874879782.db2.gz OWTIXYSGCKEAHB-UHFFFAOYSA-N 0 0 401.179 4.242 20 30 HIEDRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000461780738 874903802 /nfs/dbraw/zinc/90/38/02/874903802.db2.gz OXTYPXLDGVQBOS-AWEZNQCLSA-N 0 0 408.889 4.403 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000461785713 874904704 /nfs/dbraw/zinc/90/47/04/874904704.db2.gz NRILGXVMSCDCKF-DYVFJYSZSA-N 0 0 417.387 4.245 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461781693 874904739 /nfs/dbraw/zinc/90/47/39/874904739.db2.gz UVBXSEQDOSXGED-PBHICJAKSA-N 0 0 422.485 4.158 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc(-c4ccc[nH]4)n3C[C@H]3CCCCO3)CC2)cc1 ZINC000461805988 874919441 /nfs/dbraw/zinc/91/94/41/874919441.db2.gz BQUHLTRVXBEIFV-OAQYLSRUSA-N 0 0 414.513 4.008 20 30 HIEDRN CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC000461810638 874926555 /nfs/dbraw/zinc/92/65/55/874926555.db2.gz QLVBQNQWBBPIIS-NRFANRHFSA-N 0 0 403.486 4.066 20 30 HIEDRN CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 ZINC000461814501 874933310 /nfs/dbraw/zinc/93/33/10/874933310.db2.gz YQUDWZHAMYNUEM-SIKLNZKXSA-N 0 0 423.561 4.314 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCO1 ZINC000461822734 874948651 /nfs/dbraw/zinc/94/86/51/874948651.db2.gz IFZWJRGRPYFYDK-QGZVFWFLSA-N 0 0 417.916 4.437 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCCCO1 ZINC000461829304 874959442 /nfs/dbraw/zinc/95/94/42/874959442.db2.gz FVCVQBJMGFKNSU-XLIONFOSSA-N 0 0 400.498 4.305 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461833640 874966302 /nfs/dbraw/zinc/96/63/02/874966302.db2.gz RJPHNIRYJLODMZ-JLSDUUJJSA-N 0 0 419.451 4.163 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCO1 ZINC000461845164 874984530 /nfs/dbraw/zinc/98/45/30/874984530.db2.gz AAYVDQBOHBCEBX-LJQANCHMSA-N 0 0 401.580 4.266 20 30 HIEDRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCCO2)c1C ZINC000461862797 875012213 /nfs/dbraw/zinc/01/22/13/875012213.db2.gz HSGKEPGQAGPAPS-DFQSSKMNSA-N 0 0 411.550 4.342 20 30 HIEDRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCCO2)c1C ZINC000461862807 875012860 /nfs/dbraw/zinc/01/28/60/875012860.db2.gz HSGKEPGQAGPAPS-SXLOBPIMSA-N 0 0 411.550 4.342 20 30 HIEDRN CCN(Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461867379 875018371 /nfs/dbraw/zinc/01/83/71/875018371.db2.gz LJFHTIBWZWVJOP-JOCHJYFZSA-N 0 0 401.514 4.412 20 30 HIEDRN Cc1cc(=O)[nH]cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000468845193 882886902 /nfs/dbraw/zinc/88/69/02/882886902.db2.gz FVSCQUUTCLPBAX-UHFFFAOYSA-N 0 0 418.400 4.286 20 30 HIEDRN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000461879030 875031693 /nfs/dbraw/zinc/03/16/93/875031693.db2.gz SMTGCSLZPNVUBZ-QFIPXVFZSA-N 0 0 405.546 4.211 20 30 HIEDRN COc1cc2c(c(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)c1)O[C@@H](C)C2 ZINC000468858125 882893590 /nfs/dbraw/zinc/89/35/90/882893590.db2.gz GJQDJSMHCLNEHI-INIZCTEOSA-N 0 0 405.498 4.214 20 30 HIEDRN C[C@]1(c2ccc(F)cc2)NC(=O)N(c2ccc(Oc3ccccc3)c(C#N)c2)C1=O ZINC000461896079 875041224 /nfs/dbraw/zinc/04/12/24/875041224.db2.gz VWDAPWNMPHQLTP-HSZRJFAPSA-N 0 0 401.397 4.461 20 30 HIEDRN C[C@H](C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccc(C#N)c1 ZINC000461924500 875065012 /nfs/dbraw/zinc/06/50/12/875065012.db2.gz WHRSLEBEJIRBQP-INIZCTEOSA-N 0 0 401.441 4.370 20 30 HIEDRN C[C@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C#N)c1 ZINC000461927811 875066508 /nfs/dbraw/zinc/06/65/08/875066508.db2.gz JJVJYROVKCMWEC-DOTOQJQBSA-N 0 0 412.331 4.067 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CC[C@@](CO)(c2ccccc2)C1 ZINC000461930680 875067598 /nfs/dbraw/zinc/06/75/98/875067598.db2.gz IFSDIGPLLQPDGX-OAQYLSRUSA-N 0 0 408.299 4.009 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000461942718 875075268 /nfs/dbraw/zinc/07/52/68/875075268.db2.gz UIBXGVHGDGDUQY-DYESRHJHSA-N 0 0 403.461 4.170 20 30 HIEDRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C3)cc1 ZINC000461953280 875084043 /nfs/dbraw/zinc/08/40/43/875084043.db2.gz AVEDZOCTMIHLLU-LAUBAEHRSA-N 0 0 417.513 4.399 20 30 HIEDRN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000461991380 875111357 /nfs/dbraw/zinc/11/13/57/875111357.db2.gz HSDDPSXJFGVZRD-WOJBJXKFSA-N 0 0 406.482 4.364 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000468867630 882898169 /nfs/dbraw/zinc/89/81/69/882898169.db2.gz GXXJEQZNVBPGAN-UHFFFAOYSA-N 0 0 408.473 4.368 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000468867205 882898579 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N#C[C@H](NC(=O)COc1cc(F)cc(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000464398620 877599890 /nfs/dbraw/zinc/59/98/90/877599890.db2.gz PBCWBVDYYIFPQB-QFIPXVFZSA-N 0 0 408.404 4.304 20 30 HIEDRN CC[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1c(C)nn(C)c1C ZINC000464413285 877618504 /nfs/dbraw/zinc/61/85/04/877618504.db2.gz YPQPSQHFWGRSCX-QFIPXVFZSA-N 0 0 402.498 4.369 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1 ZINC000464419891 877629021 /nfs/dbraw/zinc/62/90/21/877629021.db2.gz LMOURFROZOHPRO-NRFANRHFSA-N 0 0 400.482 4.134 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(OC(F)F)n(C)n1 ZINC000464442769 877656873 /nfs/dbraw/zinc/65/68/73/877656873.db2.gz FJIQOKLEVMUNLM-UHFFFAOYSA-N 0 0 412.396 4.033 20 30 HIEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000464477599 877697790 /nfs/dbraw/zinc/69/77/90/877697790.db2.gz SFWBTIWVLICMEA-HXUWFJFHSA-N 0 0 401.432 4.047 20 30 HIEDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c21 ZINC000464530898 877746879 /nfs/dbraw/zinc/74/68/79/877746879.db2.gz XUNWOQBCNPPNMZ-MBSDFSHPSA-N 0 0 408.502 4.291 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CCC[C@@]12CCCCO2 ZINC000464532633 877749444 /nfs/dbraw/zinc/74/94/44/877749444.db2.gz QDHAXYMSXGAVFL-ICSRJNTNSA-N 0 0 419.403 4.428 20 30 HIEDRN C=C(C)C[C@@H](C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 ZINC000464554888 877771618 /nfs/dbraw/zinc/77/16/18/877771618.db2.gz XWCKHLZDDSSUIU-CQSZACIVSA-N 0 0 404.561 4.427 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464609694 877837175 /nfs/dbraw/zinc/83/71/75/877837175.db2.gz OFOXCOYWNXBMQF-HZPDHXFCSA-N 0 0 405.523 4.457 20 30 HIEDRN CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464614573 877839052 /nfs/dbraw/zinc/83/90/52/877839052.db2.gz WHCAESAYWBADAD-AEFFLSMTSA-N 0 0 411.443 4.493 20 30 HIEDRN Cc1cc2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)oc2c(Br)c1 ZINC000464642095 877860889 /nfs/dbraw/zinc/86/08/89/877860889.db2.gz GDCYMTHMMMSEMG-UHFFFAOYSA-N 0 0 422.242 4.208 20 30 HIEDRN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000464642975 877860977 /nfs/dbraw/zinc/86/09/77/877860977.db2.gz MZWBOXWMJRTRGS-UHFFFAOYSA-N 0 0 419.378 4.207 20 30 HIEDRN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000464644068 877862413 /nfs/dbraw/zinc/86/24/13/877862413.db2.gz QTDPUTWJYXDEDE-CQSZACIVSA-N 0 0 424.302 4.109 20 30 HIEDRN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000464645145 877863649 /nfs/dbraw/zinc/86/36/49/877863649.db2.gz CDJMOSDWFLOHND-UHFFFAOYSA-N 0 0 400.467 4.132 20 30 HIEDRN Cc1nc(SCC(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)c(C#N)c(C)c1C ZINC000464648536 877868971 /nfs/dbraw/zinc/86/89/71/877868971.db2.gz FKUOEVMBCWFFCR-NSHDSACASA-N 0 0 401.919 4.438 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2sc3ccccc3c2Br)n1 ZINC000464678656 877894988 /nfs/dbraw/zinc/89/49/88/877894988.db2.gz FZTDHGWXJHQYAC-UHFFFAOYSA-N 0 0 424.283 4.368 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 ZINC000464687363 877901130 /nfs/dbraw/zinc/90/11/30/877901130.db2.gz JSHOVHQGHSDGGI-UHFFFAOYSA-N 0 0 420.432 4.364 20 30 HIEDRN Cc1cc(F)ccc1-n1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nn1 ZINC000503306400 912288409 /nfs/dbraw/zinc/28/84/09/912288409.db2.gz QGWMXRHZLAPMEU-CQSZACIVSA-N 0 0 404.232 4.016 20 30 HIEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000464706832 877928465 /nfs/dbraw/zinc/92/84/65/877928465.db2.gz ALIGDQVDDDHWPR-NSHDSACASA-N 0 0 420.222 4.261 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H]2c3ccccc3CC23CCOCC3)c(C#N)c(C)c1C ZINC000464711569 877936287 /nfs/dbraw/zinc/93/62/87/877936287.db2.gz NAERXJRFDJQRDB-QFIPXVFZSA-N 0 0 421.566 4.181 20 30 HIEDRN Cc1nc(C(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)ccc1C#N ZINC000464711752 877936345 /nfs/dbraw/zinc/93/63/45/877936345.db2.gz VLKSVIMFPHDFHN-UHFFFAOYSA-N 0 0 408.820 4.127 20 30 HIEDRN CC(C)(C)[C@H](C#N)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000464713153 877938040 /nfs/dbraw/zinc/93/80/40/877938040.db2.gz QIUUSLVIVJKHQN-AWEZNQCLSA-N 0 0 402.848 4.025 20 30 HIEDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000464744595 877978925 /nfs/dbraw/zinc/97/89/25/877978925.db2.gz MPTZVJBKUNKMTD-ZIEGJXHLSA-N 0 0 410.539 4.469 20 30 HIEDRN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000464798753 878041344 /nfs/dbraw/zinc/04/13/44/878041344.db2.gz KQVYYQAQTXHVDE-MRXNPFEDSA-N 0 0 420.469 4.412 20 30 HIEDRN COc1ccc(C[C@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)C2)cc1 ZINC000503326363 912305474 /nfs/dbraw/zinc/30/54/74/912305474.db2.gz RYGKYEWIDIMIPR-OAQYLSRUSA-N 0 0 414.509 4.156 20 30 HIEDRN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464810848 878063127 /nfs/dbraw/zinc/06/31/27/878063127.db2.gz GLWAQWPUYKDRMO-VWNXMTODSA-N 0 0 402.542 4.306 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000464819550 878073496 /nfs/dbraw/zinc/07/34/96/878073496.db2.gz CCJJKPMWJIAKJR-RTWAWAEBSA-N 0 0 402.523 4.181 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000464821253 878074411 /nfs/dbraw/zinc/07/44/11/878074411.db2.gz HLKFTHVFDMBMRG-DBXWQHBBSA-N 0 0 409.555 4.481 20 30 HIEDRN COc1cc(NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)cc1Cl ZINC000464821685 878074952 /nfs/dbraw/zinc/07/49/52/878074952.db2.gz JGXGNTBTISSIKN-LPHOPBHVSA-N 0 0 413.905 4.067 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000464823403 878076888 /nfs/dbraw/zinc/07/68/88/878076888.db2.gz PXUXAFHTBBWWPO-RTWAWAEBSA-N 0 0 415.459 4.349 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000464826328 878081615 /nfs/dbraw/zinc/08/16/15/878081615.db2.gz ZRLPBARDHHCYQS-LSDHHAIUSA-N 0 0 413.275 4.364 20 30 HIEDRN CCCOCc1ccccc1CNC(=O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464828326 878081918 /nfs/dbraw/zinc/08/19/18/878081918.db2.gz MEBXMOLYGKRGRK-RPWUZVMVSA-N 0 0 405.542 4.001 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464828671 878082894 /nfs/dbraw/zinc/08/28/94/878082894.db2.gz MTMVFPKVAIFWLJ-AZUAARDMSA-N 0 0 412.331 4.468 20 30 HIEDRN CCCOCc1ccccc1CNC(=O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464828324 878083859 /nfs/dbraw/zinc/08/38/59/878083859.db2.gz MEBXMOLYGKRGRK-BJKOFHAPSA-N 0 0 405.542 4.001 20 30 HIEDRN C[C@H](OCCCNC(=O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000464836902 878100740 /nfs/dbraw/zinc/10/07/40/878100740.db2.gz ZDIITKLZTJYGNV-OYDLWJJNSA-N 0 0 405.542 4.042 20 30 HIEDRN CC(C)c1ccc(-c2nc(CN3CCN(c4nccnc4C#N)C[C@@H]3C)cs2)cc1 ZINC000464858856 878138540 /nfs/dbraw/zinc/13/85/40/878138540.db2.gz WQMCDRAOCJCPHA-KRWDZBQOSA-N 0 0 418.570 4.306 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1 ZINC000464860006 878142310 /nfs/dbraw/zinc/14/23/10/878142310.db2.gz UTUPKSZPJORKIN-UHFFFAOYSA-N 0 0 412.493 4.012 20 30 HIEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cnn(C)c1C(F)(F)F ZINC000464891104 878191074 /nfs/dbraw/zinc/19/10/74/878191074.db2.gz IQTSYVMWEJZZAP-UHFFFAOYSA-N 0 0 414.840 4.281 20 30 HIEDRN N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1nc2cc(F)ccc2o1 ZINC000464912678 878230478 /nfs/dbraw/zinc/23/04/78/878230478.db2.gz PYHNVLYQRFJJSK-UHFFFAOYSA-N 0 0 419.441 4.360 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 ZINC000464930195 878256543 /nfs/dbraw/zinc/25/65/43/878256543.db2.gz FAVOHYFPUAFIQJ-UHFFFAOYSA-N 0 0 420.490 4.456 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000464934734 878265537 /nfs/dbraw/zinc/26/55/37/878265537.db2.gz DNWRSNITTFKUDY-QZTJIDSGSA-N 0 0 417.490 4.451 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2F)c1 ZINC000464938092 878269965 /nfs/dbraw/zinc/26/99/65/878269965.db2.gz YMEWONPZXLRCOD-UHFFFAOYSA-N 0 0 400.413 4.334 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(F)cc1Br ZINC000464937241 878269986 /nfs/dbraw/zinc/26/99/86/878269986.db2.gz FAJSKJORJGPCNB-SJLPKXTDSA-N 0 0 417.278 4.265 20 30 HIEDRN Cc1ccc2nc(CSCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cn2c1 ZINC000464937363 878270447 /nfs/dbraw/zinc/27/04/47/878270447.db2.gz KFVNBGSNSWFLHL-LEWJYISDSA-N 0 0 404.539 4.174 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(Br)cc1F ZINC000464943469 878279415 /nfs/dbraw/zinc/27/94/15/878279415.db2.gz UGFXQJYNLGTTQL-FUHWJXTLSA-N 0 0 417.278 4.265 20 30 HIEDRN CCc1nc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1-c1ccccc1Cl ZINC000464944662 878280345 /nfs/dbraw/zinc/28/03/45/878280345.db2.gz XUKYFPSBSXSNNL-IEBWSBKVSA-N 0 0 419.916 4.395 20 30 HIEDRN CCc1nc(COc2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)no1 ZINC000464945290 878280463 /nfs/dbraw/zinc/28/04/63/878280463.db2.gz ZYVBGBWPXXGSBS-SFTDATJTSA-N 0 0 416.481 4.123 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000464947428 878284812 /nfs/dbraw/zinc/28/48/12/878284812.db2.gz DUQXNHPLLDFUMS-DHIUTWEWSA-N 0 0 414.509 4.012 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1OCC(F)(F)F ZINC000464956594 878296250 /nfs/dbraw/zinc/29/62/50/878296250.db2.gz WBTVMMGJMOZMRX-ROUUACIJSA-N 0 0 418.415 4.305 20 30 HIEDRN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464957400 878297360 /nfs/dbraw/zinc/29/73/60/878297360.db2.gz YRBBYCCIYZISLK-VXKWHMMOSA-N 0 0 420.509 4.355 20 30 HIEDRN N#CCN1CCC(CNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000464973235 878316374 /nfs/dbraw/zinc/31/63/74/878316374.db2.gz PCDZULMJDKRMSU-OAQYLSRUSA-N 0 0 415.509 4.150 20 30 HIEDRN COC(=O)[C@@H](NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cccc(C#N)c1 ZINC000464980935 878327870 /nfs/dbraw/zinc/32/78/70/878327870.db2.gz GVUWKLOJXBAUKM-HNNXBMFYSA-N 0 0 415.223 4.470 20 30 HIEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000465126603 878507786 /nfs/dbraw/zinc/50/77/86/878507786.db2.gz GDAIOKHDYWCFDS-ZDUSSCGKSA-N 0 0 419.535 4.129 20 30 HIEDRN CC(C)n1ncc2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc21 ZINC000503376906 912359073 /nfs/dbraw/zinc/35/90/73/912359073.db2.gz WCMARHXPBGJGLH-UHFFFAOYSA-N 0 0 402.502 4.233 20 30 HIEDRN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000465177704 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414.328 4.456 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000466768928 880548333 /nfs/dbraw/zinc/54/83/33/880548333.db2.gz YBPNYQWBPWJKER-QRWLVFNGSA-N 0 0 411.477 4.394 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000466768927 880548488 /nfs/dbraw/zinc/54/84/88/880548488.db2.gz YBPNYQWBPWJKER-MGPUTAFESA-N 0 0 411.477 4.394 20 30 HIEDRN C[C@@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCOCC(F)(F)C(F)(F)F ZINC000466794351 880573541 /nfs/dbraw/zinc/57/35/41/880573541.db2.gz WMGDHTOOMFXTJS-AWEZNQCLSA-N 0 0 419.312 4.453 20 30 HIEDRN CN(C(=O)NCCc1cccc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000466820393 880591861 /nfs/dbraw/zinc/59/18/61/880591861.db2.gz AOHRMALESPLDNF-GOSISDBHSA-N 0 0 414.303 4.028 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccncc1OCC(F)(F)F ZINC000466821960 880595378 /nfs/dbraw/zinc/59/53/78/880595378.db2.gz ACEDWWASEVRFJJ-UHFFFAOYSA-N 0 0 408.380 4.003 20 30 HIEDRN N#CCSc1cccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000503531998 912586774 /nfs/dbraw/zinc/58/67/74/912586774.db2.gz HIFRCYVRWZDUJX-UHFFFAOYSA-N 0 0 403.910 4.053 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000466939987 880707987 /nfs/dbraw/zinc/70/79/87/880707987.db2.gz UPMHZANOLMDVPQ-RPWUZVMVSA-N 0 0 421.541 4.193 20 30 HIEDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1cccc(C#N)c1 ZINC000466951954 880730396 /nfs/dbraw/zinc/73/03/96/880730396.db2.gz CRIDFTHGURJVLC-UHFFFAOYSA-N 0 0 419.312 4.078 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000503541647 912604236 /nfs/dbraw/zinc/60/42/36/912604236.db2.gz LTADLSGWYMPDAA-AWEZNQCLSA-N 0 0 407.308 4.383 20 30 HIEDRN Cc1ccc(-c2cncc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)c2)cc1 ZINC000466987120 880800708 /nfs/dbraw/zinc/80/07/08/880800708.db2.gz LSYFGGJKBALPRT-UHFFFAOYSA-N 0 0 400.457 4.030 20 30 HIEDRN C=CCN(C(=O)c1cc(Oc2ccccc2)ccn1)c1nc(C(=O)OCC)cs1 ZINC000466993405 880805165 /nfs/dbraw/zinc/80/51/65/880805165.db2.gz LDPJTFBBGRTDHA-UHFFFAOYSA-N 0 0 409.467 4.340 20 30 HIEDRN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000467029741 880828977 /nfs/dbraw/zinc/82/89/77/880828977.db2.gz AQNNOQVHJBPFFP-QFIPXVFZSA-N 0 0 408.521 4.186 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000467052630 880843198 /nfs/dbraw/zinc/84/31/98/880843198.db2.gz ZVTUENVGWNWPAD-UHFFFAOYSA-N 0 0 419.319 4.336 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000467055429 880845001 /nfs/dbraw/zinc/84/50/01/880845001.db2.gz AMDRLJJNTBECMY-INIZCTEOSA-N 0 0 423.517 4.303 20 30 HIEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000467069923 880850011 /nfs/dbraw/zinc/85/00/11/880850011.db2.gz CAALTVUSDDQUAI-UHFFFAOYSA-N 0 0 417.431 4.357 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000467094449 880859399 /nfs/dbraw/zinc/85/93/99/880859399.db2.gz YUCMPZDRQAVIPE-HNNXBMFYSA-N 0 0 420.782 4.260 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)CC)cc2)cc1 ZINC000467094869 880859460 /nfs/dbraw/zinc/85/94/60/880859460.db2.gz ZNMFAFKBROWWTL-UHFFFAOYSA-N 0 0 401.532 4.483 20 30 HIEDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000467107242 880866684 /nfs/dbraw/zinc/86/66/84/880866684.db2.gz ZOPAKMFELIPNGW-UHFFFAOYSA-N 0 0 401.510 4.409 20 30 HIEDRN Cc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1Br ZINC000467124030 880878632 /nfs/dbraw/zinc/87/86/32/880878632.db2.gz AIOWMIHZEKPQQB-UHFFFAOYSA-N 0 0 409.243 4.464 20 30 HIEDRN COCC[C@H]1CCCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000467162812 880894435 /nfs/dbraw/zinc/89/44/35/880894435.db2.gz ABWMQVINXCAIKG-GOSISDBHSA-N 0 0 420.513 4.481 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000467191254 880918671 /nfs/dbraw/zinc/91/86/71/880918671.db2.gz LIVVAOCDXHRFCH-IBGZPJMESA-N 0 0 401.514 4.128 20 30 HIEDRN COc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000467195509 880925488 /nfs/dbraw/zinc/92/54/88/880925488.db2.gz LLIVEGGSVRDYTI-CQSZACIVSA-N 0 0 421.407 4.424 20 30 HIEDRN C=CCOc1ccc(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)cc1OC ZINC000467210813 880941293 /nfs/dbraw/zinc/94/12/93/880941293.db2.gz FFARNJLWTJRZEU-FQEVSTJZSA-N 0 0 411.498 4.056 20 30 HIEDRN CCOCCOCc1cccc(NCC(=O)Nc2cc(Cl)ccc2C#N)c1C ZINC000467265958 881004074 /nfs/dbraw/zinc/00/40/74/881004074.db2.gz KWLZABMLIVEMNF-UHFFFAOYSA-N 0 0 401.894 4.124 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1N ZINC000467268868 881008875 /nfs/dbraw/zinc/00/88/75/881008875.db2.gz OSVPULVGHOXWJY-OAHLLOKOSA-N 0 0 400.269 4.064 20 30 HIEDRN Cc1oc2ccccc2c1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000467273054 881015221 /nfs/dbraw/zinc/01/52/21/881015221.db2.gz LJHTXGMHPNLYRN-UHFFFAOYSA-N 0 0 416.481 4.173 20 30 HIEDRN N#CCCN(C(=O)CCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000467295596 881042228 /nfs/dbraw/zinc/04/22/28/881042228.db2.gz RKPAUKKATSYANY-UHFFFAOYSA-N 0 0 404.388 4.356 20 30 HIEDRN Cc1ccc(-c2cncc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2)cc1 ZINC000467298652 881046212 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4.001 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)NCCc3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000467468163 881282452 /nfs/dbraw/zinc/28/24/52/881282452.db2.gz JIEZXFYAQQIFRV-UHFFFAOYSA-N 0 0 400.413 4.338 20 30 HIEDRN C=CCC(CC=C)C(=O)N[C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000467519439 881336433 /nfs/dbraw/zinc/33/64/33/881336433.db2.gz JJBXKCQLSDCPCB-OAQYLSRUSA-N 0 0 401.503 4.203 20 30 HIEDRN Cc1ccc(F)c(C(=O)NCCSCc2ccccc2C#N)c1Br ZINC000469080217 883165809 /nfs/dbraw/zinc/16/58/09/883165809.db2.gz UFOCJEUYJBVSDR-UHFFFAOYSA-N 0 0 407.308 4.432 20 30 HIEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000469090529 883177889 /nfs/dbraw/zinc/17/78/89/883177889.db2.gz XXQIAIPKXFTSQC-INIZCTEOSA-N 0 0 420.341 4.472 20 30 HIEDRN COc1ccc(C[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OC ZINC000469090827 883179614 /nfs/dbraw/zinc/17/96/14/883179614.db2.gz QCTRIXICPQQUBM-QGZVFWFLSA-N 0 0 407.514 4.330 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000469104474 883194741 /nfs/dbraw/zinc/19/47/41/883194741.db2.gz ZHMNETHHIMQWQH-HSZRJFAPSA-N 0 0 408.473 4.222 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)CSCc2ccc(Br)cc2F)n1 ZINC000469104155 883194898 /nfs/dbraw/zinc/19/48/98/883194898.db2.gz UMZDCTKOUVVGLN-UHFFFAOYSA-N 0 0 411.300 4.109 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(OC(C)(C)C)CC2)c1C#N ZINC000469126335 883222271 /nfs/dbraw/zinc/22/22/71/883222271.db2.gz YWMDCNYFOFEDFV-UHFFFAOYSA-N 0 0 408.546 4.184 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)o2)cc1 ZINC000469139593 883235711 /nfs/dbraw/zinc/23/57/11/883235711.db2.gz VFQFZGDHPAETNF-UHFFFAOYSA-N 0 0 414.377 4.439 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 ZINC000469155060 883251565 /nfs/dbraw/zinc/25/15/65/883251565.db2.gz GIWJKZOTWDOQCV-LJQANCHMSA-N 0 0 424.497 4.363 20 30 HIEDRN Cn1ccc([C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccc(Cl)cc2)n1 ZINC000469156141 883254165 /nfs/dbraw/zinc/25/41/65/883254165.db2.gz JTGAJZGTTACXGL-NRFANRHFSA-N 0 0 417.856 4.120 20 30 HIEDRN CCn1nccc1C1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000469192085 883291749 /nfs/dbraw/zinc/29/17/49/883291749.db2.gz RXJSYUOHQQQIAN-UHFFFAOYSA-N 0 0 414.509 4.373 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)on2)c1 ZINC000469194659 883293930 /nfs/dbraw/zinc/29/39/30/883293930.db2.gz SHPBAUDSDOBSNV-UHFFFAOYSA-N 0 0 402.841 4.477 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCC(=O)Nc4ccc(F)cc43)ccc21 ZINC000469196806 883298152 /nfs/dbraw/zinc/29/81/52/883298152.db2.gz HUNVXUMORKZHJC-LJQANCHMSA-N 0 0 406.461 4.294 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c2ccccc21 ZINC000469199555 883299989 /nfs/dbraw/zinc/29/99/89/883299989.db2.gz KAVRMFSVXZBSIT-JOCHJYFZSA-N 0 0 409.436 4.437 20 30 HIEDRN Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000469203326 883303608 /nfs/dbraw/zinc/30/36/08/883303608.db2.gz BFJGQJWKXKLBBX-UHFFFAOYSA-N 0 0 414.465 4.013 20 30 HIEDRN N#Cc1cccc(OCCS[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000469207523 883308306 /nfs/dbraw/zinc/30/83/06/883308306.db2.gz MLFJIRZCQLMLPD-HXUWFJFHSA-N 0 0 402.466 4.140 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1C#N ZINC000469220856 883320842 /nfs/dbraw/zinc/32/08/42/883320842.db2.gz GFAMDKQHROXBOS-UHFFFAOYSA-N 0 0 424.092 4.409 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCC[C@H](C(N)=O)C3)cc2Cl)c1 ZINC000469243979 883342261 /nfs/dbraw/zinc/34/22/61/883342261.db2.gz RURKTEIWCMBDPM-IRXDYDNUSA-N 0 0 411.889 4.021 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000469255668 883351560 /nfs/dbraw/zinc/35/15/60/883351560.db2.gz VYWMVOFUSJCASF-LJQANCHMSA-N 0 0 412.902 4.128 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc4cc([N+](=O)[O-])ccc4n3)cc2)nc1 ZINC000469262801 883359180 /nfs/dbraw/zinc/35/91/80/883359180.db2.gz ZAMJYINVCKWWEF-UHFFFAOYSA-N 0 0 411.377 4.454 20 30 HIEDRN N#CCCN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469288588 883385158 /nfs/dbraw/zinc/38/51/58/883385158.db2.gz YYCMRVOROMGGDK-UHFFFAOYSA-N 0 0 419.934 4.018 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)o2)cc1 ZINC000469288649 883385486 /nfs/dbraw/zinc/38/54/86/883385486.db2.gz RGJGPCXFMFIMJL-FQEVSTJZSA-N 0 0 415.493 4.377 20 30 HIEDRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000469289945 883387301 /nfs/dbraw/zinc/38/73/01/883387301.db2.gz USQBDFJRUQEYAT-ZDUSSCGKSA-N 0 0 423.542 4.256 20 30 HIEDRN COc1ccccc1[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)OC(C)C ZINC000469291537 883388470 /nfs/dbraw/zinc/38/84/70/883388470.db2.gz XWCBWSFUPONWSM-QFIPXVFZSA-N 0 0 405.454 4.118 20 30 HIEDRN CCn1nccc1C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000469307738 883408507 /nfs/dbraw/zinc/40/85/07/883408507.db2.gz FTNOVUNBXABTLO-UHFFFAOYSA-N 0 0 414.509 4.373 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3ccc(OCC(F)(F)C(F)F)nc3)on2)c1 ZINC000469315674 883417868 /nfs/dbraw/zinc/41/78/68/883417868.db2.gz WUSKVJSLAVMSKO-UHFFFAOYSA-N 0 0 420.322 4.140 20 30 HIEDRN Cc1cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)nn1-c1cccc(C#N)c1 ZINC000503614401 912714218 /nfs/dbraw/zinc/71/42/18/912714218.db2.gz DOHJXOVQAOCHNY-UHFFFAOYSA-N 0 0 410.359 4.200 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)n3)on2)c1 ZINC000469332885 883443371 /nfs/dbraw/zinc/44/33/71/883443371.db2.gz RCQVLMAFFGQXKP-UHFFFAOYSA-N 0 0 408.417 4.462 20 30 HIEDRN Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(OC[C@@H]2CCCO2)c1 ZINC000469343186 883459952 /nfs/dbraw/zinc/45/99/52/883459952.db2.gz OFJPZMHKMKWURB-SFHVURJKSA-N 0 0 403.438 4.332 20 30 HIEDRN CC(C)[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000503614756 912714320 /nfs/dbraw/zinc/71/43/20/912714320.db2.gz FQHWFLSJOHBDKR-HXUWFJFHSA-N 0 0 414.303 4.369 20 30 HIEDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000469370181 883495062 /nfs/dbraw/zinc/49/50/62/883495062.db2.gz WYWRWYLUMUNGFC-UHFFFAOYSA-N 0 0 419.403 4.054 20 30 HIEDRN C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1n1ccnc1 ZINC000469381741 883518167 /nfs/dbraw/zinc/51/81/67/883518167.db2.gz QEJGPGDEXDTFDT-MBSDFSHPSA-N 0 0 400.482 4.057 20 30 HIEDRN C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1n1ccnc1 ZINC000469384875 883528020 /nfs/dbraw/zinc/52/80/20/883528020.db2.gz XJTFKNYOKFQESS-MBSDFSHPSA-N 0 0 400.482 4.057 20 30 HIEDRN N#C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CCN1Cc1ccccc1 ZINC000469416772 883592405 /nfs/dbraw/zinc/59/24/05/883592405.db2.gz UWKYVLABJQUHBR-NRFANRHFSA-N 0 0 404.901 4.185 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000469435297 883620946 /nfs/dbraw/zinc/62/09/46/883620946.db2.gz ZZJKJFYQPHVECR-IBGZPJMESA-N 0 0 403.413 4.178 20 30 HIEDRN N#CCCCn1cc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c2ccccc21 ZINC000469436989 883624825 /nfs/dbraw/zinc/62/48/25/883624825.db2.gz SSSAZBTWPYXVRE-LJQANCHMSA-N 0 0 404.489 4.483 20 30 HIEDRN CC(C)(c1ccc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)cc1)C(F)(F)F ZINC000469438762 883627245 /nfs/dbraw/zinc/62/72/45/883627245.db2.gz OHGDYKURVBBMOS-UHFFFAOYSA-N 0 0 414.365 4.185 20 30 HIEDRN CC[C@H](Cc1ccccc1)N(CC)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000469458706 883668126 /nfs/dbraw/zinc/66/81/26/883668126.db2.gz JHSPEXYAPOFDOX-OAQYLSRUSA-N 0 0 403.530 4.020 20 30 HIEDRN COc1cc(N(C)C(=O)c2cn(CCCC#N)c3ccccc23)cc(OC)c1OC ZINC000469472103 883698715 /nfs/dbraw/zinc/69/87/15/883698715.db2.gz HSHMKNYHWBGQBA-UHFFFAOYSA-N 0 0 407.470 4.247 20 30 HIEDRN N#CCCCn1cc(C(=O)NCc2nccn2CCc2ccccc2)c2ccccc21 ZINC000469544255 883808142 /nfs/dbraw/zinc/80/81/42/883808142.db2.gz GVVFNASAFFJJLD-UHFFFAOYSA-N 0 0 411.509 4.314 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(NCC3CC3)nc2)cc1 ZINC000469565268 883816507 /nfs/dbraw/zinc/81/65/07/883816507.db2.gz MDRBBGPODRWRJT-UHFFFAOYSA-N 0 0 412.493 4.801 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1c(C)cnn1Cc1ccccc1F)c1ccccc1 ZINC000469574211 883820222 /nfs/dbraw/zinc/82/02/22/883820222.db2.gz HIGQUEFIXKDWKG-NRFANRHFSA-N 0 0 420.488 4.141 20 30 HIEDRN C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1noc(Cc2ccccc2)n1 ZINC000469584475 883823858 /nfs/dbraw/zinc/82/38/58/883823858.db2.gz HCMIJOMDIUSHBR-KRWDZBQOSA-N 0 0 413.481 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/nfs/dbraw/zinc/90/99/60/883909960.db2.gz BAJLADAXWDFZFK-AQUNBJMESA-N 0 0 421.541 4.102 20 30 HIEDRN COc1cc(Br)ccc1[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000469751356 883912359 /nfs/dbraw/zinc/91/23/59/883912359.db2.gz HSPYJGJLIAHVKC-LLVKDONJSA-N 0 0 422.710 4.272 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CC[C@@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469789016 883963567 /nfs/dbraw/zinc/96/35/67/883963567.db2.gz CTYPCLKQYPPZNA-QGZVFWFLSA-N 0 0 411.452 4.008 20 30 HIEDRN C=CCn1c(SCc2csc(N(C)C3CC3)n2)nnc1-c1ccccc1OC ZINC000469810637 883985946 /nfs/dbraw/zinc/98/59/46/883985946.db2.gz RNSJVDWPSIKEAX-UHFFFAOYSA-N 0 0 413.572 4.487 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000503666957 912773387 /nfs/dbraw/zinc/77/33/87/912773387.db2.gz OHKCPEJSEDNQGQ-LJQANCHMSA-N 0 0 422.407 4.091 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000503669136 912778209 /nfs/dbraw/zinc/77/82/09/912778209.db2.gz ZKQLIQNJEICTPQ-AWEZNQCLSA-N 0 0 412.415 4.432 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000469941953 884139684 /nfs/dbraw/zinc/13/96/84/884139684.db2.gz SFQFGZSBMRONNP-UHFFFAOYSA-N 0 0 420.494 4.043 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)ccc21 ZINC000469949675 884149774 /nfs/dbraw/zinc/14/97/74/884149774.db2.gz CXUVOIISSARICH-QGZVFWFLSA-N 0 0 423.900 4.113 20 30 HIEDRN Cc1ccn(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2)n1 ZINC000469951720 884153318 /nfs/dbraw/zinc/15/33/18/884153318.db2.gz ZIFXSIUZPDZSNR-UHFFFAOYSA-N 0 0 413.481 4.016 20 30 HIEDRN Cc1cc(Br)oc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469955466 884157920 /nfs/dbraw/zinc/15/79/20/884157920.db2.gz GBKZFMVTYSRZIN-UHFFFAOYSA-N 0 0 416.275 4.186 20 30 HIEDRN CSc1nc(C2CC2)nc(C)c1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000469959120 884164044 /nfs/dbraw/zinc/16/40/44/884164044.db2.gz GOFGINLIPMLBFO-UHFFFAOYSA-N 0 0 422.554 4.376 20 30 HIEDRN CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[C@H]1c1ccccc1 ZINC000470004023 884220360 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Cc1cnn(Cc2ccccc2F)c1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000470193783 884498733 /nfs/dbraw/zinc/49/87/33/884498733.db2.gz HFKGTOLPEWLVNA-UHFFFAOYSA-N 0 0 406.461 4.438 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)cc1 ZINC000503820589 912831460 /nfs/dbraw/zinc/83/14/60/912831460.db2.gz DJHSXDKCNFXWLO-UHFFFAOYSA-N 0 0 409.449 4.029 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CN2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1Cl ZINC000470198109 884507787 /nfs/dbraw/zinc/50/77/87/884507787.db2.gz OJTCUAQOYLONND-OXJNMPFZSA-N 0 0 417.962 4.419 20 30 HIEDRN Cc1sc(-c2ccco2)nc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000470207555 884524890 /nfs/dbraw/zinc/52/48/90/884524890.db2.gz OZEZDLMLTNDXSU-UHFFFAOYSA-N 0 0 412.902 4.199 20 30 HIEDRN C[C@H](Oc1cccc(Br)c1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503834346 912835958 /nfs/dbraw/zinc/83/59/58/912835958.db2.gz ZCLQNRLPKIZJAZ-HNNXBMFYSA-N 0 0 411.299 4.404 20 30 HIEDRN CC(C)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)nn1C(C)(C)C ZINC000470222126 884549888 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HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3OC)c2CC)cc1 ZINC000470263895 884611378 /nfs/dbraw/zinc/61/13/78/884611378.db2.gz MMGFVQWVPNKWIM-UHFFFAOYSA-N 0 0 419.485 4.003 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000503868213 912846075 /nfs/dbraw/zinc/84/60/75/912846075.db2.gz BPWMTMQVFDCJIU-UHFFFAOYSA-N 0 0 410.399 4.243 20 30 HIEDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503869120 912846645 /nfs/dbraw/zinc/84/66/45/912846645.db2.gz DOBWOAIIDOAIAV-SFHVURJKSA-N 0 0 419.550 4.243 20 30 HIEDRN CN1C(=O)C[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000503868680 912846716 /nfs/dbraw/zinc/84/67/16/912846716.db2.gz CWMOPWPNOYXPEA-GMAHTHKFSA-N 0 0 419.912 4.047 20 30 HIEDRN C=CC[C@@H]1N(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCC1(C)C ZINC000470282928 884649539 /nfs/dbraw/zinc/64/95/39/884649539.db2.gz BNOXWPBGDMLIRP-FQEVSTJZSA-N 0 0 404.501 4.410 20 30 HIEDRN Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2C#N)nc1-c1c[nH]c2ncccc12 ZINC000503896941 912855221 /nfs/dbraw/zinc/85/52/21/912855221.db2.gz FXDHTPNASMRXDR-GFCCVEGCSA-N 0 0 403.467 4.273 20 30 HIEDRN CCn1c(SCC(=O)N[C@H](C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000470351056 884742648 /nfs/dbraw/zinc/74/26/48/884742648.db2.gz GUCWRGVQTUFRGJ-CQSZACIVSA-N 0 0 412.346 4.028 20 30 HIEDRN CN(CC(=O)N(CCC#N)CCC#N)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000470363247 884756038 /nfs/dbraw/zinc/75/60/38/884756038.db2.gz HKCYLZBSCQUYPR-QFIPXVFZSA-N 0 0 412.896 4.156 20 30 HIEDRN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)Nc1ccn(CCC#N)n1 ZINC000470400536 884805588 /nfs/dbraw/zinc/80/55/88/884805588.db2.gz ICCJYJSTECDXJY-UHFFFAOYSA-N 0 0 417.448 4.442 20 30 HIEDRN CC(C)(C)c1nnc2ccc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cn21 ZINC000470423430 884825332 /nfs/dbraw/zinc/82/53/32/884825332.db2.gz AVELGIDZQAVXGK-UHFFFAOYSA-N 0 0 416.510 4.198 20 30 HIEDRN CCOc1ccc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)cc1Br ZINC000470444557 884842322 /nfs/dbraw/zinc/84/23/22/884842322.db2.gz PJWNSJRTIUUOGE-UHFFFAOYSA-N 0 0 423.332 4.265 20 30 HIEDRN Cc1cccc(C[C@H](CO)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 ZINC000470467161 884859966 /nfs/dbraw/zinc/85/99/66/884859966.db2.gz RIXJVVVPEMMENJ-JOCHJYFZSA-N 0 0 416.546 4.492 20 30 HIEDRN CC[C@H](C)NC(=O)c1ccc(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(C)c1 ZINC000470523887 884916738 /nfs/dbraw/zinc/91/67/38/884916738.db2.gz OTLCZRDKMPFTML-FQEVSTJZSA-N 0 0 420.557 4.499 20 30 HIEDRN CNC(=O)c1ccc(Cl)c(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 ZINC000470523495 884916854 /nfs/dbraw/zinc/91/68/54/884916854.db2.gz MFMSCPLOCZSJOG-UHFFFAOYSA-N 0 0 419.312 4.020 20 30 HIEDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000470525527 884918466 /nfs/dbraw/zinc/91/84/66/884918466.db2.gz IFUUXUCVIFFKQE-PMACEKPBSA-N 0 0 418.541 4.163 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCC2)c(C(F)(F)F)c1 ZINC000503945881 912876866 /nfs/dbraw/zinc/87/68/66/912876866.db2.gz OXBVZKDEOAGJJM-UHFFFAOYSA-N 0 0 412.408 4.116 20 30 HIEDRN CO[C@H](CCNC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000470532106 884930777 /nfs/dbraw/zinc/93/07/77/884930777.db2.gz WAUCFQQMDHBSNC-MNOVXSKESA-N 0 0 424.288 4.158 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3c(F)cccc3Cl)ccc21 ZINC000470537794 884940607 /nfs/dbraw/zinc/94/06/07/884940607.db2.gz MJQCDHHNTLONRX-UHFFFAOYSA-N 0 0 414.868 4.384 20 30 HIEDRN N#CCCN(C(=O)CNc1c(F)cccc1N1CCCC1)c1cccc(Cl)c1 ZINC000470538482 884940776 /nfs/dbraw/zinc/94/07/76/884940776.db2.gz QFXMFTVHLMSSLE-UHFFFAOYSA-N 0 0 400.885 4.438 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCCCNc3cccc(F)c3)ccc21 ZINC000470540674 884944861 /nfs/dbraw/zinc/94/48/61/884944861.db2.gz BCKNLCNXXQJOPN-UHFFFAOYSA-N 0 0 423.492 4.032 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3cnn4c3nccc4-c3ccccc3)CC2)cc1 ZINC000503966038 912887756 /nfs/dbraw/zinc/88/77/56/912887756.db2.gz NDAJGIMBPJYKFC-UHFFFAOYSA-N 0 0 405.461 4.197 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3nc4ccccc4s3)ccc21 ZINC000470543250 884948750 /nfs/dbraw/zinc/94/87/50/884948750.db2.gz LPRCJAPNKROMCL-UHFFFAOYSA-N 0 0 419.510 4.201 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2ccccc2C(=O)NC(C)(C)C)c1C ZINC000470545608 884954141 /nfs/dbraw/zinc/95/41/41/884954141.db2.gz GVTHGKBGWOOUTM-UHFFFAOYSA-N 0 0 406.530 4.191 20 30 HIEDRN CC(C)(C)c1nnc2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cn21 ZINC000470547196 884957327 /nfs/dbraw/zinc/95/73/27/884957327.db2.gz QCNHAUBHBTURJY-HNNXBMFYSA-N 0 0 401.392 4.040 20 30 HIEDRN CC(C)(C)c1nnc2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cn21 ZINC000470547197 884958280 /nfs/dbraw/zinc/95/82/80/884958280.db2.gz QCNHAUBHBTURJY-OAHLLOKOSA-N 0 0 401.392 4.040 20 30 HIEDRN C=CCc1ccc(OCC(=O)NCc2ccnc(Oc3ccccc3F)c2)c(OC)c1 ZINC000470549908 884961383 /nfs/dbraw/zinc/96/13/83/884961383.db2.gz RJTPVVUFRYMTML-UHFFFAOYSA-N 0 0 422.456 4.445 20 30 HIEDRN CCN(Cc1cccc(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1)C(C)=O ZINC000470550711 884962591 /nfs/dbraw/zinc/96/25/91/884962591.db2.gz ZNAACASIUUPVDA-UHFFFAOYSA-N 0 0 406.530 4.031 20 30 HIEDRN N#CCCN(CCC#N)C(=O)CNc1cc(Cl)ccc1SCC(F)(F)F ZINC000470554791 884969022 /nfs/dbraw/zinc/96/90/22/884969022.db2.gz CXKRZLGGAPCESL-UHFFFAOYSA-N 0 0 404.845 4.062 20 30 HIEDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)cc1 ZINC000470583378 884998480 /nfs/dbraw/zinc/99/84/80/884998480.db2.gz NQNIQVNLOJTLLE-WIYYLYMNSA-N 0 0 410.539 4.091 20 30 HIEDRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000470595684 885018883 /nfs/dbraw/zinc/01/88/83/885018883.db2.gz XFQLQWXDKLKPPE-UHFFFAOYSA-N 0 0 421.545 4.100 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000470618787 885042586 /nfs/dbraw/zinc/04/25/86/885042586.db2.gz MDFXWUAQXPHQAX-NOZJJQNGSA-N 0 0 409.305 4.443 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000470618788 885043374 /nfs/dbraw/zinc/04/33/74/885043374.db2.gz MDFXWUAQXPHQAX-RNCFNFMXSA-N 0 0 409.305 4.443 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1 ZINC000470633423 885058761 /nfs/dbraw/zinc/05/87/61/885058761.db2.gz OAZBNVBAHCIMKP-CYBMUJFWSA-N 0 0 411.849 4.190 20 30 HIEDRN N#Cc1ccsc1C(=O)Nc1cc(NC(=O)c2sccc2C#N)c(F)cc1F ZINC000470638941 885064809 /nfs/dbraw/zinc/06/48/09/885064809.db2.gz VUCGSOMOHJJNRL-UHFFFAOYSA-N 0 0 414.418 4.336 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1 ZINC000470649607 885070864 /nfs/dbraw/zinc/07/08/64/885070864.db2.gz UMERQVJLJNBMAR-UHFFFAOYSA-N 0 0 405.498 4.226 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 ZINC000503979993 912894498 /nfs/dbraw/zinc/89/44/98/912894498.db2.gz MHCKSHYURGAKLQ-HXUWFJFHSA-N 0 0 423.925 4.330 20 30 HIEDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503980372 912894730 /nfs/dbraw/zinc/89/47/30/912894730.db2.gz IAUFDBCXPFCMBB-MRXNPFEDSA-N 0 0 423.513 4.073 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCCC[C@H]3n3cccn3)c2)cc1 ZINC000470678601 885110189 /nfs/dbraw/zinc/11/01/89/885110189.db2.gz PRXKDPWJVQOHAN-XZOQPEGZSA-N 0 0 400.482 4.247 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3ccnn3-c3ccccc3)s2)cc1 ZINC000470717422 885157884 /nfs/dbraw/zinc/15/78/84/885157884.db2.gz JTJFMAOIMVIPHF-UHFFFAOYSA-N 0 0 418.507 4.140 20 30 HIEDRN CC(=O)c1sc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000470727292 885178349 /nfs/dbraw/zinc/17/83/49/885178349.db2.gz SARLJZKDSGSLFB-GOSISDBHSA-N 0 0 400.463 4.205 20 30 HIEDRN Cc1nc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(-c2ccccc2)o1 ZINC000470773550 885239899 /nfs/dbraw/zinc/23/98/99/885239899.db2.gz OWARYRZLCWXNNK-UHFFFAOYSA-N 0 0 414.465 4.485 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C3(Cc4ccc(F)cc4)CC3)ccc21 ZINC000470778490 885249239 /nfs/dbraw/zinc/24/92/39/885249239.db2.gz HETOCPBDVXGPKT-UHFFFAOYSA-N 0 0 405.473 4.370 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccccc2Br)cc1 ZINC000470791860 885271057 /nfs/dbraw/zinc/27/10/57/885271057.db2.gz JYZJLWVFFHRZHB-CQSZACIVSA-N 0 0 416.319 4.118 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470809078 885298045 /nfs/dbraw/zinc/29/80/45/885298045.db2.gz YMWBXIZXIPDGQM-FQEVSTJZSA-N 0 0 407.433 4.247 20 30 HIEDRN C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n[nH]c1=O ZINC000470821895 885307968 /nfs/dbraw/zinc/30/79/68/885307968.db2.gz ONSCQZWCWOHYBU-VIFPVBQESA-N 0 0 417.541 4.462 20 30 HIEDRN C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)n[nH]c1=O ZINC000470828001 885316443 /nfs/dbraw/zinc/31/64/43/885316443.db2.gz YJPFUAFEUXSXRP-UHFFFAOYSA-N 0 0 421.935 4.257 20 30 HIEDRN Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000470829532 885318446 /nfs/dbraw/zinc/31/84/46/885318446.db2.gz DOIOQJCNVLWVGP-HXUWFJFHSA-N 0 0 405.461 4.433 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000470848937 885345856 /nfs/dbraw/zinc/34/58/56/885345856.db2.gz WHPYWBGSWGKATA-INIZCTEOSA-N 0 0 403.404 4.482 20 30 HIEDRN Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470854305 885349827 /nfs/dbraw/zinc/34/98/27/885349827.db2.gz KAWZMZBXIJKCCP-UHFFFAOYSA-N 0 0 413.481 4.016 20 30 HIEDRN CC[C@@H](c1nnc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000470880413 885372249 /nfs/dbraw/zinc/37/22/49/885372249.db2.gz PTKZSVAHCHCYDB-RTBURBONSA-N 0 0 401.495 4.273 20 30 HIEDRN CC(C)C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C ZINC000470886732 885382477 /nfs/dbraw/zinc/38/24/77/885382477.db2.gz VXBZDIMUPKLJJI-LJQANCHMSA-N 0 0 412.486 4.216 20 30 HIEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc(-c2cccs2)n[nH]1 ZINC000470899470 885398868 /nfs/dbraw/zinc/39/88/68/885398868.db2.gz IRJLPRVYJQKWDG-UHFFFAOYSA-N 0 0 415.931 4.375 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2cc(C)c(O)c(C)c2)cc1C ZINC000470902078 885405808 /nfs/dbraw/zinc/40/58/08/885405808.db2.gz PHUIJHIPTKUHMG-UHFFFAOYSA-N 0 0 416.525 4.376 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000470947870 885447606 /nfs/dbraw/zinc/44/76/06/885447606.db2.gz OQEOWISUELDSDZ-DOMZBBRYSA-N 0 0 413.465 4.209 20 30 HIEDRN Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)c(C#N)c1C ZINC000504033747 912936156 /nfs/dbraw/zinc/93/61/56/912936156.db2.gz LEQRXASMLVGQKL-UHFFFAOYSA-N 0 0 402.277 4.070 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)Cc2csc3ccc(Br)cc23)n1 ZINC000470968644 885469549 /nfs/dbraw/zinc/46/95/49/885469549.db2.gz RVGCBTWOLWHFRB-UHFFFAOYSA-N 0 0 403.305 4.494 20 30 HIEDRN Cc1ccccc1-c1nc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)no1 ZINC000470995405 885496525 /nfs/dbraw/zinc/49/65/25/885496525.db2.gz IARXXGOUHWITFK-FQEVSTJZSA-N 0 0 407.905 4.081 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000470997157 885498581 /nfs/dbraw/zinc/49/85/81/885498581.db2.gz LPDOUGBHUXKWRR-QFIPXVFZSA-N 0 0 419.916 4.305 20 30 HIEDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471005764 885507932 /nfs/dbraw/zinc/50/79/32/885507932.db2.gz LGXDUTZKCVDJQC-PBHICJAKSA-N 0 0 413.934 4.395 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000471050102 885562952 /nfs/dbraw/zinc/56/29/52/885562952.db2.gz IUHQDHFQRZDZRW-INIZCTEOSA-N 0 0 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HIEDRN N#Cc1ccc(SCC(=O)NCCCCc2nc(-c3cccnc3)cs2)cc1 ZINC000473908397 888784999 /nfs/dbraw/zinc/78/49/99/888784999.db2.gz FXDREECLKKZEDW-UHFFFAOYSA-N 0 0 408.552 4.308 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000473938302 888815334 /nfs/dbraw/zinc/81/53/34/888815334.db2.gz FBDUQJXATBKDKG-UHFFFAOYSA-N 0 0 412.478 4.066 20 30 HIEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nnnn3C3CC3)n2)o1 ZINC000504490726 913281966 /nfs/dbraw/zinc/28/19/66/913281966.db2.gz VXGNYRYCPZKLFR-UHFFFAOYSA-N 0 0 406.393 4.154 20 30 HIEDRN CCc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000473946202 888821688 /nfs/dbraw/zinc/82/16/88/888821688.db2.gz GVYTYHJEEDIIMO-CQSZACIVSA-N 0 0 422.466 4.236 20 30 HIEDRN C[C@H](CNc1ccccc1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473995584 888856090 /nfs/dbraw/zinc/85/60/90/888856090.db2.gz RYVVPYZDHRIYQQ-QGZVFWFLSA-N 0 0 413.481 4.433 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504501662 913293522 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C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N(C)Cc1ccccc1 ZINC000481367091 896753459 /nfs/dbraw/zinc/75/34/59/896753459.db2.gz CPNCBJXCVOCEDF-UHFFFAOYSA-N 0 0 422.554 4.102 20 30 HIEDRN C=CCn1c(SCC(=O)NCCCc2ccccc2)nnc1-c1ccc(C)cc1 ZINC000481368621 896754981 /nfs/dbraw/zinc/75/49/81/896754981.db2.gz HPONXIWYRHVFFU-UHFFFAOYSA-N 0 0 406.555 4.281 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N1CCC(C)CC1 ZINC000481370143 896759760 /nfs/dbraw/zinc/75/97/60/896759760.db2.gz JRZWPSALKGNGPS-GOSISDBHSA-N 0 0 414.575 4.091 20 30 HIEDRN CCn1c(SCCCOc2cccc(C#N)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000481370849 896762300 /nfs/dbraw/zinc/76/23/00/896762300.db2.gz MFPMORYNIGSJDZ-UHFFFAOYSA-N 0 0 409.471 4.306 20 30 HIEDRN C=CCn1c(SCc2oncc2C(=O)OC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000505433174 914097138 /nfs/dbraw/zinc/09/71/38/914097138.db2.gz NQEWXMATUJBJKY-UHFFFAOYSA-N 0 0 412.515 4.496 20 30 HIEDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)o1 ZINC000481374863 896768326 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898114988 /nfs/dbraw/zinc/11/49/88/898114988.db2.gz AOLCCSZBFBXXQS-UHFFFAOYSA-N 0 0 423.332 4.234 20 30 HIEDRN CCS[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000482533107 898119572 /nfs/dbraw/zinc/11/95/72/898119572.db2.gz SVKHRBCTLOKTSG-FQEVSTJZSA-N 0 0 423.538 4.423 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)cc1 ZINC000482564138 898155838 /nfs/dbraw/zinc/15/58/38/898155838.db2.gz XWVPNPVRGBOQBG-UHFFFAOYSA-N 0 0 412.467 4.131 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)C2(c3cccc(F)c3)CCCC2)cc(OC)c1OC ZINC000505531545 914225935 /nfs/dbraw/zinc/22/59/35/914225935.db2.gz DCVCFCJIVKCSKI-GOSISDBHSA-N 0 0 412.461 4.044 20 30 HIEDRN N#C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1c(Cl)cccc1Cl ZINC000505531949 914227174 /nfs/dbraw/zinc/22/71/74/914227174.db2.gz HSTLWWFIVMWKFC-KRWDZBQOSA-N 0 0 402.281 4.110 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1 ZINC000482583043 898180729 /nfs/dbraw/zinc/18/07/29/898180729.db2.gz UELCPZXALHHWIP-QGZVFWFLSA-N 0 0 413.518 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415.497 4.341 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)CSc1nnc(-c2ccc(OC)cc2)o1 ZINC000482776389 898383962 /nfs/dbraw/zinc/38/39/62/898383962.db2.gz MXRLBLQQTPHPIK-UHFFFAOYSA-N 0 0 401.532 4.432 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)C(C)(C)CCCc2ccccc2)cc(OC)c1OC ZINC000505547112 914248064 /nfs/dbraw/zinc/24/80/64/914248064.db2.gz NDCRBOBACIAOCH-LJQANCHMSA-N 0 0 410.514 4.442 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2cnn([C@@H](C)CC)c2C)nnc1-c1ccco1 ZINC000482789731 898396877 /nfs/dbraw/zinc/39/68/77/898396877.db2.gz BYWFTVFPSLBFEZ-AWEZNQCLSA-N 0 0 414.535 4.321 20 30 HIEDRN C[C@@H](Cc1ccccc1Br)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000482802768 898413243 /nfs/dbraw/zinc/41/32/43/898413243.db2.gz SPQXNLNZPDREJG-AWEZNQCLSA-N 0 0 401.304 4.226 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCS[C@H]3CCCC[C@H]32)nnc1-c1ccco1 ZINC000482849050 898460134 /nfs/dbraw/zinc/46/01/34/898460134.db2.gz ZDTYAFYGXRJINJ-WBVHZDCISA-N 0 0 418.588 4.093 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1ccccc1N1CCCCC1 ZINC000482911030 898530314 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C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000505875051 914520932 /nfs/dbraw/zinc/52/09/32/914520932.db2.gz RCLKSEBSBMIRFF-UHFFFAOYSA-N 0 0 421.350 4.389 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000486089728 901278332 /nfs/dbraw/zinc/27/83/32/901278332.db2.gz RBPOLJAHYLFLEZ-YMTOWFKASA-N 0 0 419.113 4.140 20 30 HIEDRN COc1cc(C#N)cc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000486092514 901281152 /nfs/dbraw/zinc/28/11/52/901281152.db2.gz ZHSNKJMMYQXRJH-QHCPKHFHSA-N 0 0 404.491 4.181 20 30 HIEDRN C[C@H]1Cc2c(cccc2NC(=O)c2cccc(C#N)c2)CN1C(=O)c1cccc(C#N)c1 ZINC000486111916 901298059 /nfs/dbraw/zinc/29/80/59/901298059.db2.gz UBBZOKBUVRTTKC-KRWDZBQOSA-N 0 0 420.472 4.269 20 30 HIEDRN COc1cc(NC(=O)c2sccc2C#N)c(Br)cc1Br ZINC000486127836 901314924 /nfs/dbraw/zinc/31/49/24/901314924.db2.gz VYOIUGZYZXYWLV-UHFFFAOYSA-N 0 0 416.094 4.406 20 30 HIEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC(C(F)F)CC2)c1C#N ZINC000486138579 901325910 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HIEDRN CC(C)C(=O)N1CCC(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000487996582 902517329 /nfs/dbraw/zinc/51/73/29/902517329.db2.gz MASFSQRCRPYHMV-UHFFFAOYSA-N 0 0 421.516 4.121 20 30 HIEDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000488005168 902525497 /nfs/dbraw/zinc/52/54/97/902525497.db2.gz IHVZRGHEIHMMNG-KPZWWZAWSA-N 0 0 418.291 4.227 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000488010667 902530764 /nfs/dbraw/zinc/53/07/64/902530764.db2.gz BSCNNXZCUFGDFT-INIZCTEOSA-N 0 0 403.313 4.285 20 30 HIEDRN CC[C@@H](C)NC(=O)c1cccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)c1 ZINC000488013865 902535528 /nfs/dbraw/zinc/53/55/28/902535528.db2.gz KDLABEFPCSZBGD-CQSZACIVSA-N 0 0 424.451 4.270 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000488019803 902539032 /nfs/dbraw/zinc/53/90/32/902539032.db2.gz BJSCHBSKKSIITG-INIZCTEOSA-N 0 0 403.313 4.285 20 30 HIEDRN Cc1ccc([C@@H](Nc2ccc(C#N)c(C)n2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000488060864 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C[C@@H](NC(=O)c1cccc(F)c1C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000489717570 903556440 /nfs/dbraw/zinc/55/64/40/903556440.db2.gz HJTAHFIZGTUKHI-SNVBAGLBSA-N 0 0 415.222 4.001 20 30 HIEDRN C=CCC(C)(C)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000489739943 903569478 /nfs/dbraw/zinc/56/94/78/903569478.db2.gz LLKJZXGVWZBTPC-UHFFFAOYSA-N 0 0 405.589 4.227 20 30 HIEDRN Cc1nc2[nH]c(S[C@H](C)C(=O)Nc3ccccc3C#N)nc2cc1Br ZINC000489789113 903599750 /nfs/dbraw/zinc/59/97/50/903599750.db2.gz JBRCSSMKSCNVRL-SNVBAGLBSA-N 0 0 416.304 4.020 20 30 HIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)NCC3(c4ccccc4)CC3)o2)cc1 ZINC000489794572 903603932 /nfs/dbraw/zinc/60/39/32/903603932.db2.gz TYRJGKKWZCKJJY-UHFFFAOYSA-N 0 0 421.522 4.242 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000489871127 903641893 /nfs/dbraw/zinc/64/18/93/903641893.db2.gz BTARLXNYOXVUMG-XWIAVFTESA-N 0 0 419.451 4.072 20 30 HIEDRN Cc1ncc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)cc1C#N ZINC000489966410 903701910 /nfs/dbraw/zinc/70/19/10/903701910.db2.gz QAMBURFKETWVBC-UHFFFAOYSA-N 0 0 410.326 4.137 20 30 HIEDRN C=CCn1cccc1C(=O)Nc1ccccc1[C@@H](C)NC(=O)c1cccn1CC=C ZINC000489967716 903702859 /nfs/dbraw/zinc/70/28/59/903702859.db2.gz RRQHYVGDBVKCDU-GOSISDBHSA-N 0 0 402.498 4.405 20 30 HIEDRN Cc1cnn(-c2c(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(C)nn2C)c1 ZINC000490247840 903853017 /nfs/dbraw/zinc/85/30/17/903853017.db2.gz MQWFIJUEQFYCBK-QGZVFWFLSA-N 0 0 424.508 4.252 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000490282926 903873932 /nfs/dbraw/zinc/87/39/32/903873932.db2.gz CZVCDSNWBUMLBC-UHFFFAOYSA-N 0 0 409.507 4.124 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000490289629 903877530 /nfs/dbraw/zinc/87/75/30/903877530.db2.gz QBWXCUQVVZLHJR-VWLOTQADSA-N 0 0 424.360 4.187 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3cccc(Cl)c3)CCCC2)c(Cl)c1 ZINC000490363736 903956076 /nfs/dbraw/zinc/95/60/76/903956076.db2.gz GWRWLCGSJLSITI-UHFFFAOYSA-N 0 0 416.308 4.432 20 30 HIEDRN N#Cc1ccc2c(c1)N(C(=O)C1CCN(c3noc4ccc(Cl)cc43)CC1)CC2 ZINC000490400362 903984177 /nfs/dbraw/zinc/98/41/77/903984177.db2.gz QPEXCBKYMBTOHB-UHFFFAOYSA-N 0 0 406.873 4.159 20 30 HIEDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)c(C(F)(F)F)c1 ZINC000490434080 904007806 /nfs/dbraw/zinc/00/78/06/904007806.db2.gz FGSPMAZGLUSJLY-GFCCVEGCSA-N 0 0 413.465 4.297 20 30 HIEDRN Cc1ccc(C)n1C1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000490438289 904010455 /nfs/dbraw/zinc/01/04/55/904010455.db2.gz AFYWGTTYFCZVDO-INIZCTEOSA-N 0 0 424.570 4.159 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c(Cl)c1 ZINC000490445702 904014562 /nfs/dbraw/zinc/01/45/62/904014562.db2.gz NVRIMXLZFWGJQQ-AWEZNQCLSA-N 0 0 408.672 4.261 20 30 HIEDRN Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1C#N ZINC000490455642 904020832 /nfs/dbraw/zinc/02/08/32/904020832.db2.gz WTSKCKDACVAWTQ-IFXJQAMLSA-N 0 0 424.444 4.036 20 30 HIEDRN C[C@@H]1C[C@@H]1[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000490486781 904040067 /nfs/dbraw/zinc/04/00/67/904040067.db2.gz XISVJPKUNYJFGG-DJCROIMJSA-N 0 0 402.281 4.317 20 30 HIEDRN CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000490492163 904045857 /nfs/dbraw/zinc/04/58/57/904045857.db2.gz OGHQIYUCBHLWLH-NRFANRHFSA-N 0 0 403.438 4.337 20 30 HIEDRN N#Cc1cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)ccc1Oc1ccccc1 ZINC000490493758 904046978 /nfs/dbraw/zinc/04/69/78/904046978.db2.gz BFYNQRWWARUHML-KRWDZBQOSA-N 0 0 406.467 4.150 20 30 HIEDRN C[C@H](c1ccccc1Br)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490497830 904049210 /nfs/dbraw/zinc/04/92/10/904049210.db2.gz GJDAQIHFCBMCGM-LLVKDONJSA-N 0 0 420.694 4.132 20 30 HIEDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490510112 904060322 /nfs/dbraw/zinc/06/03/22/904060322.db2.gz PMBROOLDXLKYAY-NSHDSACASA-N 0 0 409.795 4.389 20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(-c4ccco4)cc3F)CC2)cc1 ZINC000490513256 904062930 /nfs/dbraw/zinc/06/29/30/904062930.db2.gz JZMYCJGFSCOAHL-UHFFFAOYSA-N 0 0 404.445 4.307 20 30 HIEDRN CCOc1cc2c(cc1NC(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)OCCO2 ZINC000490525622 904073996 /nfs/dbraw/zinc/07/39/96/904073996.db2.gz DCMACKREJVJPPA-UHFFFAOYSA-N 0 0 417.421 4.168 20 30 HIEDRN COc1cc([C@H](NC(=O)Nc2cc(C#N)ccc2C)C(F)(F)F)cc(OC)c1OC ZINC000490545746 904091316 /nfs/dbraw/zinc/09/13/16/904091316.db2.gz NIPVPAJYRSAAQR-SFHVURJKSA-N 0 0 423.391 4.318 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)nc1 ZINC000490548525 904092616 /nfs/dbraw/zinc/09/26/16/904092616.db2.gz WUKJLDIKFNMYFG-UHFFFAOYSA-N 0 0 414.421 4.459 20 30 HIEDRN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000490647881 904154686 /nfs/dbraw/zinc/15/46/86/904154686.db2.gz JKFPESUNPOIKKP-SFHVURJKSA-N 0 0 419.525 4.355 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCC(C)(C)C2CC2)cc1 ZINC000490666784 904162285 /nfs/dbraw/zinc/16/22/85/904162285.db2.gz BEJMPJFPCNINPL-UHFFFAOYSA-N 0 0 421.497 4.240 20 30 HIEDRN CS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)Cc2ccccc21 ZINC000490668135 904164682 /nfs/dbraw/zinc/16/46/82/904164682.db2.gz FZEJPKPIQQZXGF-UHFFFAOYSA-N 0 0 417.534 4.007 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000490749442 904208347 /nfs/dbraw/zinc/20/83/47/904208347.db2.gz RWUFPODLDRNWSK-UHFFFAOYSA-N 0 0 417.513 4.484 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000490772036 904223621 /nfs/dbraw/zinc/22/36/21/904223621.db2.gz WYQRZVFUHGFEKE-UHFFFAOYSA-N 0 0 413.485 4.383 20 30 HIEDRN CCn1c(NC(=O)c2ccc(SCc3nc(C)no3)cc2)nc2cc(C#N)ccc21 ZINC000490775356 904227277 /nfs/dbraw/zinc/22/72/77/904227277.db2.gz RIRXCDBNACRHGO-UHFFFAOYSA-N 0 0 418.482 4.164 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000490792976 904238939 /nfs/dbraw/zinc/23/89/39/904238939.db2.gz KLRWCAJYQPZHEH-UHFFFAOYSA-N 0 0 424.386 4.385 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)N[C@@H](c3c[nH]c4ccccc43)C(F)(F)F)C2)cc1 ZINC000490812037 904257785 /nfs/dbraw/zinc/25/77/85/904257785.db2.gz KGEXERYUTFGUQE-IBGZPJMESA-N 0 0 414.387 4.116 20 30 HIEDRN C=CCOc1ccc(CNC(=O)Nc2ccc3nccnc3c2Br)cc1 ZINC000490813237 904259073 /nfs/dbraw/zinc/25/90/73/904259073.db2.gz MZEOTUAPAQKRGL-UHFFFAOYSA-N 0 0 413.275 4.279 20 30 HIEDRN CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cn1 ZINC000490834082 904276884 /nfs/dbraw/zinc/27/68/84/904276884.db2.gz JWXQPISMHAUOHH-UHFFFAOYSA-N 0 0 422.407 4.393 20 30 HIEDRN C[C@H]1CN(C(=O)NCC#Cc2cccc(F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000490999334 904359240 /nfs/dbraw/zinc/35/92/40/904359240.db2.gz COHKKJVPSGFMMF-MGPUTAFESA-N 0 0 420.406 4.368 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000491005531 904365723 /nfs/dbraw/zinc/36/57/23/904365723.db2.gz LBIRSIDKPMKYED-GOSISDBHSA-N 0 0 405.420 4.061 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)Nc1nc2ccc(I)cc2s1 ZINC000491039226 904390349 /nfs/dbraw/zinc/39/03/49/904390349.db2.gz SNHNNGXGEWLOTJ-UHFFFAOYSA-N 0 0 419.247 4.333 20 30 HIEDRN CN(Cc1ccc(Cl)cc1)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000491094376 904424791 /nfs/dbraw/zinc/42/47/91/904424791.db2.gz QWZVQCHKUATHIH-UHFFFAOYSA-N 0 0 423.860 4.298 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000491111256 904435340 /nfs/dbraw/zinc/43/53/40/904435340.db2.gz QPGJVLANZRYWRU-IERDGZPVSA-N 0 0 419.506 4.376 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491139416 904451844 /nfs/dbraw/zinc/45/18/44/904451844.db2.gz KSDJRHAQLJKYAU-UWJYYQICSA-N 0 0 402.535 4.172 20 30 HIEDRN C=CCN1C(=O)N([C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000491194699 904477528 /nfs/dbraw/zinc/47/75/28/904477528.db2.gz OZJVEUVSBIVRDQ-FDFHNCONSA-N 0 0 404.510 4.294 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2ccc(OC)c(OC)c2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000491287019 904518569 /nfs/dbraw/zinc/51/85/69/904518569.db2.gz ZEEKNNAZLODIEO-XLIONFOSSA-N 0 0 408.498 4.135 20 30 HIEDRN C=CCN(CCc1ccco1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000491302524 904525776 /nfs/dbraw/zinc/52/57/76/904525776.db2.gz BZMLSQXITVCSBY-IBGZPJMESA-N 0 0 409.511 4.343 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nnc3n2CCCC3)cc1Cl ZINC000506145930 914823566 /nfs/dbraw/zinc/82/35/66/914823566.db2.gz XGWNQVLEUDHKHX-SFHVURJKSA-N 0 0 420.904 4.245 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000491390224 904573369 /nfs/dbraw/zinc/57/33/69/904573369.db2.gz SESAPAZBTYSIIF-UHFFFAOYSA-N 0 0 413.327 4.107 20 30 HIEDRN C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000491429755 904592238 /nfs/dbraw/zinc/59/22/38/904592238.db2.gz IIFUZVFXAZSWFY-LBPRGKRZSA-N 0 0 423.822 4.479 20 30 HIEDRN Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000491479546 904617262 /nfs/dbraw/zinc/61/72/62/904617262.db2.gz MTKIGTCMEXYKPA-HTAPYJJXSA-N 0 0 401.466 4.466 20 30 HIEDRN C=CCC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000491500834 904625645 /nfs/dbraw/zinc/62/56/45/904625645.db2.gz 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/nfs/dbraw/zinc/11/83/55/911118355.db2.gz PCBDRWVXGGZSSU-UHFFFAOYSA-N 0 0 422.254 4.123 20 30 HIEDRN O=C(NCC#Cc1cccc(F)c1)c1ccc(Br)cc1C(F)(F)F ZINC000513221753 921637236 /nfs/dbraw/zinc/63/72/36/921637236.db2.gz JBADCESXJMIJIK-UHFFFAOYSA-N 0 0 400.169 4.389 20 30 HIEDRN COC(=O)[C@]1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@H]1C ZINC000502229775 911176112 /nfs/dbraw/zinc/17/61/12/911176112.db2.gz QRHLYATXUCYMEC-WAIKUNEKSA-N 0 0 407.470 4.322 20 30 HIEDRN Cc1cccc(-n2ncc(C(=O)NCC#Cc3cccc(F)c3)c2C(F)(F)F)c1 ZINC000513225784 921640828 /nfs/dbraw/zinc/64/08/28/921640828.db2.gz IZWPBZKKNKFQOJ-UHFFFAOYSA-N 0 0 401.363 4.120 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502242617 911197496 /nfs/dbraw/zinc/19/74/96/911197496.db2.gz OMHHIVPTGKJZBQ-SFHVURJKSA-N 0 0 407.518 4.290 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN(CC(=O)N1CCCCCC1)C(C)C ZINC000513232740 921645080 /nfs/dbraw/zinc/64/50/80/921645080.db2.gz RFYYQJYJBGMFME-UHFFFAOYSA-N 0 0 403.592 4.016 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000502294197 911253156 /nfs/dbraw/zinc/25/31/56/911253156.db2.gz NUZDNGWZCDAQMR-UHFFFAOYSA-N 0 0 415.415 4.498 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)cc1 ZINC000502321543 911298104 /nfs/dbraw/zinc/29/81/04/911298104.db2.gz OLIWZOVFZVVEMB-UHFFFAOYSA-N 0 0 415.459 4.401 20 30 HIEDRN Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1ccc(F)cc1C#N ZINC000502333712 911313338 /nfs/dbraw/zinc/31/33/38/911313338.db2.gz BUJVNXAVBLGDFN-JOCHJYFZSA-N 0 0 408.452 4.213 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000502333369 911313998 /nfs/dbraw/zinc/31/39/98/911313998.db2.gz ODFLAKMUWNEGLE-UHFFFAOYSA-N 0 0 423.282 4.148 20 30 HIEDRN O=C(Nc1c[nH]nc1[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1)C1CCCC1 ZINC000502356456 911338896 /nfs/dbraw/zinc/33/88/96/911338896.db2.gz BQJNAWGBUFHSJX-IBGZPJMESA-N 0 0 410.949 4.423 20 30 HIEDRN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc1N1CCCC[C@H]1C ZINC000502425628 911404093 /nfs/dbraw/zinc/40/40/93/911404093.db2.gz PGSZQYSVWNUAOE-CQSZACIVSA-N 0 0 404.923 4.095 20 30 HIEDRN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000502448116 911435448 /nfs/dbraw/zinc/43/54/48/911435448.db2.gz UWTTVDJDPYJFDE-IBGZPJMESA-N 0 0 404.495 4.075 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H](C)c2c(F)cncc2F)c1C#N ZINC000513258728 921662973 /nfs/dbraw/zinc/66/29/73/921662973.db2.gz YIEAJGKRFHWMOH-CQSZACIVSA-N 0 0 415.488 4.444 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000502486994 911486547 /nfs/dbraw/zinc/48/65/47/911486547.db2.gz KUCLMIWMKIRFOW-KRWDZBQOSA-N 0 0 417.469 4.480 20 30 HIEDRN CCOc1cccc2cc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)oc21 ZINC000502519268 911524156 /nfs/dbraw/zinc/52/41/56/911524156.db2.gz RCIGKSQLTFSFAY-PEBXRYMYSA-N 0 0 400.475 4.270 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1 ZINC000502520412 911525526 /nfs/dbraw/zinc/52/55/26/911525526.db2.gz QFXVUKIXEOJGDD-UHFFFAOYSA-N 0 0 421.501 4.151 20 30 HIEDRN CCC[C@H]1C[C@@H](C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCO1 ZINC000502519894 911525855 /nfs/dbraw/zinc/52/58/55/911525855.db2.gz OGIVZKIKCOIKOC-HOTGVXAUSA-N 0 0 402.545 4.236 20 30 HIEDRN COc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)cc1F ZINC000502526661 911529522 /nfs/dbraw/zinc/52/95/22/911529522.db2.gz NODSCCAFJAODMJ-FQEVSTJZSA-N 0 0 419.478 4.158 20 30 HIEDRN N#Cc1ccc(C2=CCN(CC(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000502529834 911531952 /nfs/dbraw/zinc/53/19/52/911531952.db2.gz POGLABJBHPSHPE-UHFFFAOYSA-N 0 0 417.406 4.122 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000502548234 911553556 /nfs/dbraw/zinc/55/35/56/911553556.db2.gz YVCIQWIAVGLVLH-IBGZPJMESA-N 0 0 418.544 4.031 20 30 HIEDRN C[C@H](NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C#N)cc1 ZINC000502560842 911563483 /nfs/dbraw/zinc/56/34/83/911563483.db2.gz AJEZSIDSPPYAFQ-HNNXBMFYSA-N 0 0 402.420 4.170 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000502578133 911585604 /nfs/dbraw/zinc/58/56/04/911585604.db2.gz WHWDKQNDUIDJRU-HXUWFJFHSA-N 0 0 403.479 4.073 20 30 HIEDRN C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)c1cccs1 ZINC000502641430 911676713 /nfs/dbraw/zinc/67/67/13/911676713.db2.gz DUWKPWFHQJMAGC-YOEHRIQHSA-N 0 0 418.360 4.023 20 30 HIEDRN CCOC(=O)CCc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000513286211 921684197 /nfs/dbraw/zinc/68/41/97/921684197.db2.gz JDYQJXSCMSQPRL-UHFFFAOYSA-N 0 0 423.488 4.048 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502671223 911713914 /nfs/dbraw/zinc/71/39/14/911713914.db2.gz QPSMFQUSZQNKLN-UHFFFAOYSA-N 0 0 415.497 4.242 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(OC(F)F)c3)CC2)c1 ZINC000502676718 911718970 /nfs/dbraw/zinc/71/89/70/911718970.db2.gz CQUYSXTUTOTQRH-UHFFFAOYSA-N 0 0 414.412 4.042 20 30 HIEDRN C=CCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1cc(Br)ccc1F ZINC000502680419 911722447 /nfs/dbraw/zinc/72/24/47/911722447.db2.gz QRTATPCHBLAVOZ-UHFFFAOYSA-N 0 0 416.294 4.093 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000502683847 911724228 /nfs/dbraw/zinc/72/42/28/911724228.db2.gz YOSPAKCGHHHMQJ-UHFFFAOYSA-N 0 0 404.854 4.309 20 30 HIEDRN N#Cc1ccc(Cc2cnc(Nc3ncnc4c3cnn4-c3ccccc3)s2)cc1 ZINC000502743753 911767212 /nfs/dbraw/zinc/76/72/12/911767212.db2.gz IULMSCZTXIYFCR-UHFFFAOYSA-N 0 0 409.478 4.478 20 30 HIEDRN COc1ccccc1Nc1ccccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000502805481 911823649 /nfs/dbraw/zinc/82/36/49/911823649.db2.gz ALDHQKUSXXSIRA-UHFFFAOYSA-N 0 0 410.437 4.143 20 30 HIEDRN Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3C#N)n2)cc1[N+](=O)[O-] ZINC000502814668 911830962 /nfs/dbraw/zinc/83/09/62/911830962.db2.gz LYZXPZNULOJKAJ-CYBMUJFWSA-N 0 0 408.439 4.304 20 30 HIEDRN Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3C#N)n2)cc1[N+](=O)[O-] ZINC000502814670 911831284 /nfs/dbraw/zinc/83/12/84/911831284.db2.gz LYZXPZNULOJKAJ-ZDUSSCGKSA-N 0 0 408.439 4.304 20 30 HIEDRN CC(C)C(=O)Nc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1 ZINC000502816719 911832391 /nfs/dbraw/zinc/83/23/91/911832391.db2.gz FBJUABGGTSPCPI-UHFFFAOYSA-N 0 0 407.857 4.004 20 30 HIEDRN CCN(C(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)[C@H](C)c1ccc(F)cc1 ZINC000502818643 911833849 /nfs/dbraw/zinc/83/38/49/911833849.db2.gz WUCOIWYAFIOIML-CQSZACIVSA-N 0 0 411.864 4.275 20 30 HIEDRN CC(C)C[C@H](NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)c1ccccc1 ZINC000502820137 911835700 /nfs/dbraw/zinc/83/57/00/911835700.db2.gz STDITZROELXLMI-FQEVSTJZSA-N 0 0 407.901 4.430 20 30 HIEDRN Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)c(C)s1 ZINC000502828318 911842612 /nfs/dbraw/zinc/84/26/12/911842612.db2.gz QCLXJGNAEWSCOH-UHFFFAOYSA-N 0 0 401.285 4.197 20 30 HIEDRN CC[C@H](NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000502833539 911845531 /nfs/dbraw/zinc/84/55/31/911845531.db2.gz MPTDHUASCOLMEM-SFHVURJKSA-N 0 0 414.292 4.447 20 30 HIEDRN COc1ccc(Br)cc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000502865884 911872771 /nfs/dbraw/zinc/87/27/71/911872771.db2.gz IFGCVZSBQNMCLG-UHFFFAOYSA-N 0 0 403.663 4.346 20 30 HIEDRN N#C[C@H](NC(=O)CCc1cc2ccccc2[nH]c1=O)c1cccc(Br)c1 ZINC000502924730 911909951 /nfs/dbraw/zinc/90/99/51/911909951.db2.gz FCZFRMXPBCMQKP-SFHVURJKSA-N 0 0 410.271 4.017 20 30 HIEDRN COc1ccc(CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(C(F)(F)F)c1 ZINC000502980370 911960284 /nfs/dbraw/zinc/96/02/84/911960284.db2.gz FWEGQYVNHZPEOO-UHFFFAOYSA-N 0 0 414.387 4.010 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(Br)cc2[nH]cnc21 ZINC000502988577 911965966 /nfs/dbraw/zinc/96/59/66/911965966.db2.gz JNFCSEMUJORBKY-UHFFFAOYSA-N 0 0 422.204 4.126 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(OCC4CC4)cc3)C2)c(F)c1 ZINC000502997514 911973971 /nfs/dbraw/zinc/97/39/71/911973971.db2.gz XQQHSSJVEWQMED-IBGZPJMESA-N 0 0 408.477 4.277 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000502999350 911976326 /nfs/dbraw/zinc/97/63/26/911976326.db2.gz IQONOPUMLYSDSZ-WMZOPIPTSA-N 0 0 409.287 4.237 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000503004912 911979052 /nfs/dbraw/zinc/97/90/52/911979052.db2.gz PQAADSFWHMCSHV-OAQYLSRUSA-N 0 0 413.499 4.201 20 30 HIEDRN CC(C)(C)C(=O)NCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000503029460 911999295 /nfs/dbraw/zinc/99/92/95/911999295.db2.gz GRMNHSOSLUOESS-SFHVURJKSA-N 0 0 412.921 4.279 20 30 HIEDRN CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1nc2ccccc2[nH]1 ZINC000503034723 912004139 /nfs/dbraw/zinc/00/41/39/912004139.db2.gz SRYOJZAJSHCYKY-QRQCRPRQSA-N 0 0 412.497 4.446 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(Oc3ccccc3)nc2)cc1 ZINC000503059509 912024619 /nfs/dbraw/zinc/02/46/19/912024619.db2.gz YJFRYEVKKQTICZ-UHFFFAOYSA-N 0 0 402.454 4.111 20 30 HIEDRN COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c(Br)c1 ZINC000503065447 912029395 /nfs/dbraw/zinc/02/93/95/912029395.db2.gz ZOQXRICRYKKFCH-UHFFFAOYSA-N 0 0 411.259 4.076 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc1 ZINC000503068588 912033510 /nfs/dbraw/zinc/03/35/10/912033510.db2.gz LLCPUNVVVRSYGX-UHFFFAOYSA-N 0 0 407.405 4.398 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Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000517532988 924251348 /nfs/dbraw/zinc/25/13/48/924251348.db2.gz NUOKICJYFMFCEQ-QGZVFWFLSA-N 0 0 409.555 4.422 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000517561059 926680208 /nfs/dbraw/zinc/68/02/08/926680208.db2.gz IZDAQWNZJVDTJL-SFHVURJKSA-N 0 0 410.477 4.040 20 30 HIEDRN CN(C)c1c(Cl)cccc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000517599360 926708471 /nfs/dbraw/zinc/70/84/71/926708471.db2.gz YRUUPJRYAFIFST-HNNXBMFYSA-N 0 0 415.900 4.207 20 30 HIEDRN COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000517600563 926710356 /nfs/dbraw/zinc/71/03/56/926710356.db2.gz VCKRLXGZTRWHME-QFBILLFUSA-N 0 0 410.493 4.077 20 30 HIEDRN CCc1ccccc1N1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000517605672 926712905 /nfs/dbraw/zinc/71/29/05/926712905.db2.gz SDVOXCROSCSDGV-QAPCUYQASA-N 0 0 416.308 4.290 20 30 HIEDRN COc1ccc(C(=O)CCCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000517605463 926713489 /nfs/dbraw/zinc/71/34/89/926713489.db2.gz FDZXMCADBSQHGY-GOSISDBHSA-N 0 0 404.388 4.448 20 30 HIEDRN Cc1cc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)n2c3ccccc3nc2c1C#N ZINC000517615418 926725794 /nfs/dbraw/zinc/72/57/94/926725794.db2.gz CTQLNFNQFXKIHQ-RUZDIDTESA-N 0 0 414.484 4.238 20 30 HIEDRN Cc1cc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)n2c3ccccc3nc2c1C#N ZINC000517615419 926726301 /nfs/dbraw/zinc/72/63/01/926726301.db2.gz CTQLNFNQFXKIHQ-VWLOTQADSA-N 0 0 414.484 4.238 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000517647152 926754564 /nfs/dbraw/zinc/75/45/64/926754564.db2.gz ZCYKAVYXADXMTR-UHFFFAOYSA-N 0 0 411.195 4.295 20 30 HIEDRN COCCN(C(=O)CCCCOc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000517653925 926760286 /nfs/dbraw/zinc/76/02/86/926760286.db2.gz MSDKDZPTHFPHBQ-UHFFFAOYSA-N 0 0 409.511 4.397 20 30 HIEDRN CCCCNC(=O)C1(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCCCC1 ZINC000517657845 926765639 /nfs/dbraw/zinc/76/56/39/926765639.db2.gz UXCIWEKFWPKFPC-UHFFFAOYSA-N 0 0 420.513 4.095 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(OCCOC)cc1 ZINC000517658768 926766505 /nfs/dbraw/zinc/76/65/05/926766505.db2.gz QRKYUPUWDDOJNI-UHFFFAOYSA-N 0 0 422.294 4.442 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)cc2)nc1 ZINC000517666307 926772700 /nfs/dbraw/zinc/77/27/00/926772700.db2.gz VUMHOFWYKQITQI-NRFANRHFSA-N 0 0 421.403 4.237 20 30 HIEDRN CC(=O)c1cccc(OCCCC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000517665910 926772786 /nfs/dbraw/zinc/77/27/86/926772786.db2.gz NXKBZKUSLHGZIL-UHFFFAOYSA-N 0 0 420.509 4.426 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1 ZINC000517678224 926783337 /nfs/dbraw/zinc/78/33/37/926783337.db2.gz GUTPXIBKMAXEOQ-UHFFFAOYSA-N 0 0 401.422 4.443 20 30 HIEDRN COc1ccc(C(=O)CCCC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000517691967 926796239 /nfs/dbraw/zinc/79/62/39/926796239.db2.gz AXCZLNKGTBJKAK-UHFFFAOYSA-N 0 0 420.509 4.426 20 30 HIEDRN N#Cc1ccc(OC[C@@H](O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000517709666 926807647 /nfs/dbraw/zinc/80/76/47/926807647.db2.gz PDUAWOAKABTWRJ-QGZVFWFLSA-N 0 0 419.428 4.295 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccccc3OCc3ccncc3)CC2)c1 ZINC000517856956 926865763 /nfs/dbraw/zinc/86/57/63/926865763.db2.gz DTEQJVDWZPFCQC-UHFFFAOYSA-N 0 0 413.477 4.216 20 30 HIEDRN COc1cc(C)c(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1OC ZINC000517925057 926892318 /nfs/dbraw/zinc/89/23/18/926892318.db2.gz OXSRFDZWRMFVME-UHFFFAOYSA-N 0 0 424.478 4.477 20 30 HIEDRN N#Cc1ccc(OCCOc2ccccc2C(=O)NCCCc2ccccc2)cc1 ZINC000517940693 926897001 /nfs/dbraw/zinc/89/70/01/926897001.db2.gz RSKKEMXGFWTKKC-UHFFFAOYSA-N 0 0 400.478 4.379 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)c1ccccc1 ZINC000517992627 926933956 /nfs/dbraw/zinc/93/39/56/926933956.db2.gz WJDGGTKYIMYTHK-VWNXMTODSA-N 0 0 413.521 4.419 20 30 HIEDRN C=CCn1c(S[C@@H](C(N)=O)C(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000518002784 926943262 /nfs/dbraw/zinc/94/32/62/926943262.db2.gz FLVINVVTXBGLPF-MRXNPFEDSA-N 0 0 413.568 4.221 20 30 HIEDRN COc1ccccc1OCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000518036866 926975106 /nfs/dbraw/zinc/97/51/06/926975106.db2.gz DHIVPPKJVGKKTQ-UHFFFAOYSA-N 0 0 406.413 4.307 20 30 HIEDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N(CCC#N)Cc1ccco1 ZINC000518047546 926985910 /nfs/dbraw/zinc/98/59/10/926985910.db2.gz UXIYCRNZTXIPAA-UHFFFAOYSA-N 0 0 404.514 4.325 20 30 HIEDRN COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)c(C)c2c1 ZINC000518060348 926997798 /nfs/dbraw/zinc/99/77/98/926997798.db2.gz JCIHTSZGIXWEEB-LBPRGKRZSA-N 0 0 411.845 4.091 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000518125268 927034188 /nfs/dbraw/zinc/03/41/88/927034188.db2.gz KLOAJILVEHZGRN-UHFFFAOYSA-N 0 0 423.395 4.482 20 30 HIEDRN CCCNc1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000518130036 927037213 /nfs/dbraw/zinc/03/72/13/927037213.db2.gz FHDQOECEYRBEAD-LBPRGKRZSA-N 0 0 407.590 4.485 20 30 HIEDRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Nc1ccccc1SC[C@H](C)C#N ZINC000518146798 927046725 /nfs/dbraw/zinc/04/67/25/927046725.db2.gz JEFGKLPAXHTUQQ-CRAIPNDOSA-N 0 0 424.570 4.111 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cccc2ccccc21 ZINC000518159000 927053760 /nfs/dbraw/zinc/05/37/60/927053760.db2.gz NYQCQWPRXBUSRP-INIZCTEOSA-N 0 0 403.507 4.346 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC000518186550 927071046 /nfs/dbraw/zinc/07/10/46/927071046.db2.gz SPHJOKZLWALPSR-UHFFFAOYSA-N 0 0 404.442 4.067 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 ZINC000518186724 927071335 /nfs/dbraw/zinc/07/13/35/927071335.db2.gz AVOHDDUBRFVHBD-OAQYLSRUSA-N 0 0 403.869 4.250 20 30 HIEDRN CC(C)n1ncc2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc21 ZINC000518226363 927089731 /nfs/dbraw/zinc/08/97/31/927089731.db2.gz FZLAZPZYJASMFJ-UHFFFAOYSA-N 0 0 403.486 4.283 20 30 HIEDRN CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000518260033 927118155 /nfs/dbraw/zinc/11/81/55/927118155.db2.gz TUKOTMOAZJIPPV-DLBZAZTESA-N 0 0 402.564 4.241 20 30 HIEDRN CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000518260036 927118852 /nfs/dbraw/zinc/11/88/52/927118852.db2.gz TUKOTMOAZJIPPV-SJORKVTESA-N 0 0 402.564 4.241 20 30 HIEDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000518300485 927160515 /nfs/dbraw/zinc/16/05/15/927160515.db2.gz DLMIHICTTCEQKA-NVXWUHKLSA-N 0 0 415.896 4.212 20 30 HIEDRN COc1ccc2cc(NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)ccc2n1 ZINC000518313124 927175236 /nfs/dbraw/zinc/17/52/36/927175236.db2.gz DUQGZRPNABPFJS-GOSISDBHSA-N 0 0 419.460 4.045 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CCCCC(=O)c3ccccc3)C2)c(F)c1 ZINC000518336197 927201038 /nfs/dbraw/zinc/20/10/38/927201038.db2.gz GZAFBADSEFPSGY-FQEVSTJZSA-N 0 0 407.489 4.226 20 30 HIEDRN COc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 ZINC000518370153 927225885 /nfs/dbraw/zinc/22/58/85/927225885.db2.gz GYWXJAXUOQAEBR-UHFFFAOYSA-N 0 0 402.450 4.492 20 30 HIEDRN C=CC1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000518438215 927272001 /nfs/dbraw/zinc/27/20/01/927272001.db2.gz PLEQKHZGXJHEDX-UHFFFAOYSA-N 0 0 422.909 4.318 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2cc(F)c(F)cc2N2CCCCC2)C1=O ZINC000518451509 927284025 /nfs/dbraw/zinc/28/40/25/927284025.db2.gz NFBRKZFQTFAYMW-INIZCTEOSA-N 0 0 402.470 4.106 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000518472902 927295586 /nfs/dbraw/zinc/29/55/86/927295586.db2.gz LXGAGBYILBFTJV-UHFFFAOYSA-N 0 0 403.313 4.287 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000518491416 927305894 /nfs/dbraw/zinc/30/58/94/927305894.db2.gz SBBPGONFIPFYMG-MRXNPFEDSA-N 0 0 418.424 4.427 20 30 HIEDRN Cc1noc(C2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)n1 ZINC000518537972 927334542 /nfs/dbraw/zinc/33/45/42/927334542.db2.gz PVPRJYCLSNKYGL-UHFFFAOYSA-N 0 0 406.417 4.201 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCCCC)CC1 ZINC000518570475 927352578 /nfs/dbraw/zinc/35/25/78/927352578.db2.gz XSKNTAGRJGGYFD-UHFFFAOYSA-N 0 0 415.607 4.029 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC[C@@H](Cc4ccccc4)C3)n2C[C@@H]2CCCO2)c1 ZINC000518571846 927353407 /nfs/dbraw/zinc/35/34/07/927353407.db2.gz LWPUTYLBZXMSPV-GMAHTHKFSA-N 0 0 413.525 4.065 20 30 HIEDRN Cc1cc2ncn(C[C@H](O)CSCc3ccc(C#N)cc3OC(F)F)c2cc1C ZINC000518606366 927374745 /nfs/dbraw/zinc/37/47/45/927374745.db2.gz MAYFGQFXBLAPJC-KRWDZBQOSA-N 0 0 417.481 4.421 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1-c1ccccc1 ZINC000518653821 927408083 /nfs/dbraw/zinc/40/80/83/927408083.db2.gz ISPKCNGZHHHKHG-OAHLLOKOSA-N 0 0 409.540 4.392 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000518665824 927417786 /nfs/dbraw/zinc/41/77/86/927417786.db2.gz QLMLURFSXDENAE-OALUTQOASA-N 0 0 408.571 4.088 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000518667605 927419086 /nfs/dbraw/zinc/41/90/86/927419086.db2.gz GDSIABFZLOXELD-QFIPXVFZSA-N 0 0 402.498 4.443 20 30 HIEDRN Cc1ccc(-n2nc(C(=O)Nc3ncccc3OCCCC#N)c3c2CCCC3)cc1 ZINC000518667484 927419503 /nfs/dbraw/zinc/41/95/03/927419503.db2.gz BIGXRYGMZAPPEL-UHFFFAOYSA-N 0 0 415.497 4.389 20 30 HIEDRN CCOC(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000518709365 927449621 /nfs/dbraw/zinc/44/96/21/927449621.db2.gz UBKYXZJTGPNGJK-IBGZPJMESA-N 0 0 409.442 4.064 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000518742640 927468766 /nfs/dbraw/zinc/46/87/66/927468766.db2.gz MBFPYXJCPSGHQU-IBGZPJMESA-N 0 0 401.397 4.234 20 30 HIEDRN C=CCN(C(=O)Nc1cc(Cl)ccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752613 927476041 /nfs/dbraw/zinc/47/60/41/927476041.db2.gz WKROUUSKDSTCIP-ZDUSSCGKSA-N 0 0 400.845 4.236 20 30 HIEDRN C=CCN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518752682 927476137 /nfs/dbraw/zinc/47/61/37/927476137.db2.gz YVHYXLOADCKKCY-INIZCTEOSA-N 0 0 404.449 4.206 20 30 HIEDRN COc1ccc(CN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)cc1 ZINC000518751520 927476221 /nfs/dbraw/zinc/47/62/21/927476221.db2.gz WLRKUADBRGJYKS-MRXNPFEDSA-N 0 0 423.538 4.219 20 30 HIEDRN C=CCN(C(=O)Nc1cccc(N2CCCC2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753121 927477488 /nfs/dbraw/zinc/47/74/88/927477488.db2.gz IDIXTCGEHOCVOS-SFHVURJKSA-N 0 0 417.517 4.044 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCCN1CCc2sccc2C1 ZINC000518753490 927477992 /nfs/dbraw/zinc/47/79/92/927477992.db2.gz PDSBQYHHROMFNB-OAHLLOKOSA-N 0 0 400.573 4.322 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCc1ccc(Cl)cc1 ZINC000518756890 927479396 /nfs/dbraw/zinc/47/93/96/927479396.db2.gz NCAVXFYCAPPWBU-OAHLLOKOSA-N 0 0 415.946 4.422 20 30 HIEDRN C[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000518801268 927500994 /nfs/dbraw/zinc/50/09/94/927500994.db2.gz HZYBGSUQZNHIQC-JTSKRJEESA-N 0 0 414.461 4.479 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)c(F)c1 ZINC000518811603 927507587 /nfs/dbraw/zinc/50/75/87/927507587.db2.gz FZKSHPQQFVGNDO-AUSIDOKSSA-N 0 0 423.488 4.170 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)[C@@]34CCC(=O)N3CCS4)cc2Cl)cc1 ZINC000518812043 927507667 /nfs/dbraw/zinc/50/76/67/927507667.db2.gz GWZWDFVCUITBCV-FQEVSTJZSA-N 0 0 413.886 4.008 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)c(F)c1 ZINC000518811606 927508423 /nfs/dbraw/zinc/50/84/23/927508423.db2.gz FZKSHPQQFVGNDO-XXBNENTESA-N 0 0 423.488 4.170 20 30 HIEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCC(=O)Nc2ccccc2)cc1 ZINC000518816943 927512867 /nfs/dbraw/zinc/51/28/67/927512867.db2.gz GSYCNLKFNNTUNR-UHFFFAOYSA-N 0 0 401.491 4.219 20 30 HIEDRN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)cs2)o1 ZINC000518818084 927514473 /nfs/dbraw/zinc/51/44/73/927514473.db2.gz WETBLGRHSXIHMU-INIZCTEOSA-N 0 0 424.501 4.050 20 30 HIEDRN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cs2)o1 ZINC000518818085 927515078 /nfs/dbraw/zinc/51/50/78/927515078.db2.gz WETBLGRHSXIHMU-MRXNPFEDSA-N 0 0 424.501 4.050 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)n2)c(F)c1 ZINC000518847515 927548995 /nfs/dbraw/zinc/54/89/95/927548995.db2.gz PIWJWLCBOVJHIV-HNNXBMFYSA-N 0 0 409.852 4.001 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCc1nc(Cc2ccccc2)no1 ZINC000518852072 927556343 /nfs/dbraw/zinc/55/63/43/927556343.db2.gz OJEIAHDCZWZLHP-UHFFFAOYSA-N 0 0 414.259 4.272 20 30 HIEDRN COc1ccccc1CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000518861913 927567344 /nfs/dbraw/zinc/56/73/44/927567344.db2.gz FRCPUXFFDDVFPO-LJQANCHMSA-N 0 0 422.504 4.049 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000518864247 927571089 /nfs/dbraw/zinc/57/10/89/927571089.db2.gz WLIGTNPXZYRJBU-OAHLLOKOSA-N 0 0 403.413 4.306 20 30 HIEDRN C[C@H]1CN(Cc2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000518905859 927615163 /nfs/dbraw/zinc/61/51/63/927615163.db2.gz HEMFURTXVIAQCN-PMACEKPBSA-N 0 0 421.541 4.355 20 30 HIEDRN CC(=O)c1cccc(O[C@H](C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000518922248 927629584 /nfs/dbraw/zinc/62/95/84/927629584.db2.gz FXTSYLGGKZFKHX-MDMXATFFSA-N 0 0 406.482 4.035 20 30 HIEDRN 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C=C(C)COc1cccc(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c1 ZINC000537687395 938354353 /nfs/dbraw/zinc/35/43/53/938354353.db2.gz FAPDTGRDRKCQPB-UHFFFAOYSA-N 0 0 424.316 4.060 20 30 HIEDRN CCC[C@@H](C#N)NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000537725528 938363697 /nfs/dbraw/zinc/36/36/97/938363697.db2.gz SKYDALNPYOLASH-KRWDZBQOSA-N 0 0 400.276 4.123 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000537739173 938366884 /nfs/dbraw/zinc/36/68/84/938366884.db2.gz PINBOEPQQBOYCS-ZIAGYGMSSA-N 0 0 415.465 4.351 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000537739835 938366930 /nfs/dbraw/zinc/36/69/30/938366930.db2.gz SFLUWLJHQWELEO-KGLIPLIRSA-N 0 0 415.465 4.208 20 30 HIEDRN COc1ccc(-n2nc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2C)cc1 ZINC000537743634 938367499 /nfs/dbraw/zinc/36/74/99/938367499.db2.gz NNKZTZDBKAIJEZ-UHFFFAOYSA-N 0 0 408.461 4.236 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N[C@@H](CO)c3c(F)cccc3F)cc2)cc1 ZINC000537773950 938373893 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C=CCN1CC[C@@H](Sc2nc3cc(-c4ccccc4)sc3c(=O)n2CC=C)C1=O ZINC000538569814 938651910 /nfs/dbraw/zinc/65/19/10/938651910.db2.gz HPNGFAOIKJGDJH-QGZVFWFLSA-N 0 0 423.563 4.190 20 30 HIEDRN Cc1cc(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)nn1CCC#N ZINC000538617991 938662528 /nfs/dbraw/zinc/66/25/28/938662528.db2.gz MFSWAYJAEHOYQS-KRWDZBQOSA-N 0 0 415.497 4.417 20 30 HIEDRN Cc1cc(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)nn1CCC#N ZINC000538619834 938663508 /nfs/dbraw/zinc/66/35/08/938663508.db2.gz RXEJNVNKTLPKDP-IBGZPJMESA-N 0 0 407.449 4.186 20 30 HIEDRN Cc1nnc([C@@H]2CCCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)[nH]1 ZINC000538643086 938670814 /nfs/dbraw/zinc/67/08/14/938670814.db2.gz GWIBLLREEUYTIY-MRXNPFEDSA-N 0 0 421.888 4.450 20 30 HIEDRN COc1cccc(N2CC[C@H](NC(=O)c3ccccc3Oc3ccccc3C#N)C2)c1 ZINC000538654419 938674799 /nfs/dbraw/zinc/67/47/99/938674799.db2.gz JJUOFTXNGIMXSZ-IBGZPJMESA-N 0 0 413.477 4.368 20 30 HIEDRN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000538661552 938676763 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C=CCOc1ccccc1CNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156079 938813168 /nfs/dbraw/zinc/81/31/68/938813168.db2.gz RSMATDVSROQHGV-AZUAARDMSA-N 0 0 404.869 4.373 20 30 HIEDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)CSc1ccc(C#N)cc1 ZINC000539156808 938813430 /nfs/dbraw/zinc/81/34/30/938813430.db2.gz GXTYSXIOJPUQDQ-ORAYPTAESA-N 0 0 419.344 4.305 20 30 HIEDRN CCN(C(=O)CSc1nnc(-c2ccco2)n1CC)c1ccc(C#N)c(Cl)c1 ZINC000539174673 938815668 /nfs/dbraw/zinc/81/56/68/938815668.db2.gz GHCSIRAXZNNOPT-UHFFFAOYSA-N 0 0 415.906 4.228 20 30 HIEDRN COCC1(C)CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CC1 ZINC000539182595 938816935 /nfs/dbraw/zinc/81/69/35/938816935.db2.gz ALVKCVVNAHSWNT-UHFFFAOYSA-N 0 0 420.509 4.153 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000539216693 938820161 /nfs/dbraw/zinc/82/01/61/938820161.db2.gz GUXGESHKQVSNKN-UHFFFAOYSA-N 0 0 413.452 4.399 20 30 HIEDRN C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539247773 938825195 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HIEDRN COC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(F)cc1 ZINC000539378517 938851538 /nfs/dbraw/zinc/85/15/38/938851538.db2.gz DOUUIKKTTWPKOM-HXUWFJFHSA-N 0 0 403.885 4.012 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000539449577 938862365 /nfs/dbraw/zinc/86/23/65/938862365.db2.gz QQVHEACCBXUMOE-PXNSSMCTSA-N 0 0 401.413 4.275 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2([C@@H](O)C(C)C)CC2)cc1 ZINC000539457764 938863485 /nfs/dbraw/zinc/86/34/85/938863485.db2.gz LKNPNELUZMDRHK-NRFANRHFSA-N 0 0 409.486 4.278 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000539462923 938864494 /nfs/dbraw/zinc/86/44/94/938864494.db2.gz CEHBBAZOSWJYDA-RTBURBONSA-N 0 0 411.550 4.178 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000539536960 938875516 /nfs/dbraw/zinc/87/55/16/938875516.db2.gz HYBXYKNAFIHUTE-IBGZPJMESA-N 0 0 417.469 4.252 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000539579804 938882766 /nfs/dbraw/zinc/88/27/66/938882766.db2.gz ALTJCAJGVGHHPD-DEOSSOPVSA-N 0 0 412.489 4.221 20 30 HIEDRN N#CC1(c2ccc(C(=O)NCc3ccc(-n4ccc(C(F)(F)F)n4)cc3)cc2)CC1 ZINC000539630049 938890395 /nfs/dbraw/zinc/89/03/95/938890395.db2.gz KZDSCLKZMWMVSY-UHFFFAOYSA-N 0 0 410.399 4.376 20 30 HIEDRN N#CC1(c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)cc2)CC1 ZINC000539634024 938891218 /nfs/dbraw/zinc/89/12/18/938891218.db2.gz BSPBWWBNXLKUBW-UHFFFAOYSA-N 0 0 415.415 4.349 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000539641755 938892593 /nfs/dbraw/zinc/89/25/93/938892593.db2.gz HDHWEAJXOGKLMV-SJLPKXTDSA-N 0 0 415.415 4.277 20 30 HIEDRN C=C[C@@H](CC(=O)Nc1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 ZINC000539661786 938896369 /nfs/dbraw/zinc/89/63/69/938896369.db2.gz VWUBISJMSIEQRY-LBPRGKRZSA-N 0 0 401.260 4.078 20 30 HIEDRN N#CC1(CCCSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)CCOCC1 ZINC000539670037 938898045 /nfs/dbraw/zinc/89/80/45/938898045.db2.gz GKXUIISVNQRJPN-MRXNPFEDSA-N 0 0 418.588 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410.424 4.350 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N2CCCN(c3ccccc3F)CC2)c1C#N ZINC000552381005 941651137 /nfs/dbraw/zinc/65/11/37/941651137.db2.gz RKSISVIDLYLBAA-UHFFFAOYSA-N 0 0 410.518 4.044 20 30 HIEDRN N#Cc1cccc(F)c1CC(=O)N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000552421809 941666638 /nfs/dbraw/zinc/66/66/38/941666638.db2.gz NNFHUGFJPHMOAO-MRXNPFEDSA-N 0 0 402.294 4.261 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)CC2)c(F)c1 ZINC000552426458 941667252 /nfs/dbraw/zinc/66/72/52/941667252.db2.gz MAXDMFLYBBIGEA-HXUWFJFHSA-N 0 0 411.452 4.083 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000552429413 941668731 /nfs/dbraw/zinc/66/87/31/941668731.db2.gz BZMQXQWXKSIKJF-UXHICEINSA-N 0 0 403.860 4.444 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCc2cc(C(F)(F)F)ccn2)o1 ZINC000552435381 941670658 /nfs/dbraw/zinc/67/06/58/941670658.db2.gz DSONHZOLUNBCJW-UHFFFAOYSA-N 0 0 415.371 4.117 20 30 HIEDRN Cc1cc(Br)c2c(c1)CN(C(=O)C1(c3cc(F)cc(C#N)c3)CC1)CC2 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ZQSZEZSPSGNYDP-UHFFFAOYSA-N 0 0 401.279 4.409 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 ZINC000552586693 941715670 /nfs/dbraw/zinc/71/56/70/941715670.db2.gz NLRMGMQDOUMDSL-INIZCTEOSA-N 0 0 421.476 4.154 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000552606026 941719197 /nfs/dbraw/zinc/71/91/97/941719197.db2.gz HBGCXPSLMIXPCO-UHFFFAOYSA-N 0 0 411.889 4.150 20 30 HIEDRN N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000552669987 941733163 /nfs/dbraw/zinc/73/31/63/941733163.db2.gz ZIZVLNZPQWGVMT-YLJYHZDGSA-N 0 0 417.292 4.332 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCO[C@]3(CCCOC3)C2)cc1Cl ZINC000552673513 941733977 /nfs/dbraw/zinc/73/39/77/941733977.db2.gz HMSKYSHPDSTZEF-JOCHJYFZSA-N 0 0 412.873 4.026 20 30 HIEDRN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c12 ZINC000552685963 941737422 /nfs/dbraw/zinc/73/74/22/941737422.db2.gz RTYMMLWAKBGGMT-UHFFFAOYSA-N 0 0 420.444 4.103 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)CO[C@@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000552685415 941737450 /nfs/dbraw/zinc/73/74/50/941737450.db2.gz FQWZNAFWSMWGRX-JOCHJYFZSA-N 0 0 408.473 4.161 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)CCOc3ccccc3Cl)CC2)c(F)c1 ZINC000552690286 941737876 /nfs/dbraw/zinc/73/78/76/941737876.db2.gz OHEGMNPBNGBABE-UHFFFAOYSA-N 0 0 402.853 4.190 20 30 HIEDRN CC1(C(=O)Nc2ccc3c(c2)OCCO3)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552696055 941739828 /nfs/dbraw/zinc/73/98/28/941739828.db2.gz SAIWJCDWVFWYPC-UHFFFAOYSA-N 0 0 411.889 4.228 20 30 HIEDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552699887 941740247 /nfs/dbraw/zinc/74/02/47/941740247.db2.gz IEBAWCXYZJZFMI-OAHLLOKOSA-N 0 0 406.288 4.489 20 30 HIEDRN Cc1cccc(CCCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)n1 ZINC000552714181 941743411 /nfs/dbraw/zinc/74/34/11/941743411.db2.gz KEHYHZKBAPZJCE-UHFFFAOYSA-N 0 0 401.514 4.147 20 30 HIEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000552728744 941746791 /nfs/dbraw/zinc/74/67/91/941746791.db2.gz JYGVFOFNWWFOSV-NVXWUHKLSA-N 0 0 407.352 4.280 20 30 HIEDRN C=CCN(CCC#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000552754887 941752813 /nfs/dbraw/zinc/75/28/13/941752813.db2.gz JJKLGAWHVSCTHK-UHFFFAOYSA-N 0 0 416.481 4.098 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000552810475 941772353 /nfs/dbraw/zinc/77/23/53/941772353.db2.gz DPJHGQJINNXNOR-UHFFFAOYSA-N 0 0 424.504 4.080 20 30 HIEDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000552827818 941780730 /nfs/dbraw/zinc/78/07/30/941780730.db2.gz ZRSANQWOMCOAEQ-ZBEGNZNMSA-N 0 0 409.795 4.228 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000552869315 941793474 /nfs/dbraw/zinc/79/34/74/941793474.db2.gz KMNFZUBCPIORJS-PMACEKPBSA-N 0 0 405.523 4.172 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C2)c(F)c1 ZINC000552896855 941799675 /nfs/dbraw/zinc/79/96/75/941799675.db2.gz YXOLASQEWNPHOK-HNNXBMFYSA-N 0 0 409.852 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401.470 4.055 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000553159456 941842220 /nfs/dbraw/zinc/84/22/20/941842220.db2.gz WIJIPLSGQCFMTG-PBHICJAKSA-N 0 0 401.363 4.417 20 30 HIEDRN C[C@@H](Cn1ncc2ccccc2c1=O)Nc1c(Br)cc(Cl)cc1C#N ZINC000553171239 941844291 /nfs/dbraw/zinc/84/42/91/941844291.db2.gz SHPVEAAVZLTDKK-NSHDSACASA-N 0 0 417.694 4.185 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(OCc4cccnc4)c3)C2)c(F)c1 ZINC000553191412 941847018 /nfs/dbraw/zinc/84/70/18/941847018.db2.gz QTIAJPLBARNDHR-LJQANCHMSA-N 0 0 416.456 4.136 20 30 HIEDRN Cc1cc(Br)c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1Cl ZINC000553211930 941850000 /nfs/dbraw/zinc/85/00/00/941850000.db2.gz MSKMZPPTIYJWIB-SJLPKXTDSA-N 0 0 411.727 4.478 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCCc4cc(OC(F)F)ccc43)C2)c(F)c1 ZINC000553215317 941850737 /nfs/dbraw/zinc/85/07/37/941850737.db2.gz FFPPHBMPGNFRDY-INIZCTEOSA-N 0 0 415.415 4.104 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccnc(Sc4ccccn4)c3)C2)c(F)c1 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416.525 4.497 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2cccc(F)c2F)CC1 ZINC000555241042 942442266 /nfs/dbraw/zinc/44/22/66/942442266.db2.gz RKYNVZNXLVVGAG-MRXNPFEDSA-N 0 0 420.504 4.240 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCCC)c(=O)c3ccccc32)nnc1N1CCC(=C)CC1 ZINC000555240199 942442339 /nfs/dbraw/zinc/44/23/39/942442339.db2.gz DIMWDBNSMYVSFM-UHFFFAOYSA-N 0 0 418.545 4.188 20 30 HIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000555248070 942444877 /nfs/dbraw/zinc/44/48/77/942444877.db2.gz KCVLRMUCPGNWJL-SFHVURJKSA-N 0 0 404.461 4.301 20 30 HIEDRN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000555246997 942445125 /nfs/dbraw/zinc/44/51/25/942445125.db2.gz AUPMESHBFIIADD-MRXNPFEDSA-N 0 0 407.522 4.197 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(COC)CC1 ZINC000555252291 942446719 /nfs/dbraw/zinc/44/67/19/942446719.db2.gz JATHNUFKEWYTKC-GOSISDBHSA-N 0 0 414.550 4.256 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 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404.967 4.277 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[S@@](=O)C(CC)(CC)C1 ZINC000555261600 942451646 /nfs/dbraw/zinc/45/16/46/942451646.db2.gz XAVQZXTZFJPQHS-SSEXGKCCSA-N 0 0 423.586 4.197 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCO[C@@H](COCC2CC2)C1 ZINC000555261919 942452734 /nfs/dbraw/zinc/45/27/34/942452734.db2.gz CAVVRMAENOHPGD-HSZRJFAPSA-N 0 0 418.541 4.306 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)Cc1cccs1 ZINC000555263269 942452816 /nfs/dbraw/zinc/45/28/16/942452816.db2.gz HJHRJCPERDWSOH-UHFFFAOYSA-N 0 0 414.531 4.245 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000555265029 942454251 /nfs/dbraw/zinc/45/42/51/942454251.db2.gz GFAMOOPCFFGRKV-LJQANCHMSA-N 0 0 414.513 4.331 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC000555266773 942455093 /nfs/dbraw/zinc/45/50/93/942455093.db2.gz FRFUPTDIZAAOSU-GOSISDBHSA-N 0 0 415.501 4.145 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCC(=C)CC1 ZINC000555266623 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HPWAECSGDKYOKP-HXUWFJFHSA-N 0 0 413.610 4.062 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000559002860 943798458 /nfs/dbraw/zinc/79/84/58/943798458.db2.gz QDFGADBSUQQRAH-HSZRJFAPSA-N 0 0 409.484 4.363 20 30 HIEDRN C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000559003114 943798475 /nfs/dbraw/zinc/79/84/75/943798475.db2.gz AKRPYJZYJUCCDF-OAQYLSRUSA-N 0 0 410.562 4.303 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cccc(Cl)c2)CC1 ZINC000559004756 943800500 /nfs/dbraw/zinc/80/05/00/943800500.db2.gz QJSKKAPZPMYFBI-UHFFFAOYSA-N 0 0 413.953 4.128 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000559004790 943800668 /nfs/dbraw/zinc/80/06/68/943800668.db2.gz QYGCRPPWRKGOKE-XAMWDVODSA-N 0 0 400.498 4.057 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000559006032 943800714 /nfs/dbraw/zinc/80/07/14/943800714.db2.gz CSSWXGSNNUDDFD-GOSISDBHSA-N 0 0 402.477 4.461 20 30 HIEDRN C=C(C)Cn1c(CCCC)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000559006210 943800741 /nfs/dbraw/zinc/80/07/41/943800741.db2.gz IZJVKWRUKCRFFS-GOSISDBHSA-N 0 0 406.477 4.376 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000559009028 943802226 /nfs/dbraw/zinc/80/22/26/943802226.db2.gz PRMCUWYEDQBHBR-UHFFFAOYSA-N 0 0 424.508 4.312 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000559010235 943803161 /nfs/dbraw/zinc/80/31/61/943803161.db2.gz BJCLALGVXYUSFJ-NHCUHLMSSA-N 0 0 405.546 4.110 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000559011532 943803371 /nfs/dbraw/zinc/80/33/71/943803371.db2.gz WOXJLGOGVNLTAB-OALUTQOASA-N 0 0 400.954 4.351 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(N(C)c2ccc(C)nn2)CC1 ZINC000559010504 943803424 /nfs/dbraw/zinc/80/34/24/943803424.db2.gz JYLKDPLYQQILKQ-UHFFFAOYSA-N 0 0 423.590 4.095 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2ccccn2)CC1 ZINC000559024707 943808224 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HIEDRN Cc1ccc(F)c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)c1 ZINC000559112756 943844746 /nfs/dbraw/zinc/84/47/46/943844746.db2.gz INZPCNGLPPITKR-HXUWFJFHSA-N 0 0 405.477 4.080 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC(c4ccsc4)CC3)n2C[C@@H]2CCOC2)cc1 ZINC000559173163 943861718 /nfs/dbraw/zinc/86/17/18/943861718.db2.gz OUXMUUIOURLMQN-SFHVURJKSA-N 0 0 419.554 4.299 20 30 HIEDRN Cc1ccc(C)c(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)c1 ZINC000559197807 943869196 /nfs/dbraw/zinc/86/91/96/943869196.db2.gz PQRFVZINDKJRRX-HXUWFJFHSA-N 0 0 401.514 4.107 20 30 HIEDRN C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC12CCC2 ZINC000559206252 943872481 /nfs/dbraw/zinc/87/24/81/943872481.db2.gz PLTHERPNMLAKDX-NQIIRXRSSA-N 0 0 405.546 4.402 20 30 HIEDRN C=CC1CCN(c2nnc(Cc3ccc4ccccc4c3)n2C[C@@H]2CCOC2)CC1 ZINC000559240627 943884245 /nfs/dbraw/zinc/88/42/45/943884245.db2.gz FCHWSQKJAIKPMV-NRFANRHFSA-N 0 0 402.542 4.461 20 30 HIEDRN N#Cc1c(F)cc(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1F ZINC000559247137 943885804 /nfs/dbraw/zinc/88/58/04/943885804.db2.gz HQPJEYCGSDGKSB-UHFFFAOYSA-N 0 0 416.431 4.424 20 30 HIEDRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3CC#N)cc2)cc1C ZINC000559250563 943885855 /nfs/dbraw/zinc/88/58/55/943885855.db2.gz BJMOMCRSADBKIT-UHFFFAOYSA-N 0 0 419.506 4.423 20 30 HIEDRN COc1ccccc1COC[C@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000559298584 943891994 /nfs/dbraw/zinc/89/19/94/943891994.db2.gz NPKICQOXKVTDCK-FQEVSTJZSA-N 0 0 405.450 4.316 20 30 HIEDRN C[C@H](NC(=O)C(=O)NCCC1=CCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000559335880 943898543 /nfs/dbraw/zinc/89/85/43/943898543.db2.gz CAJKEOREAZRZIE-SFHVURJKSA-N 0 0 401.510 4.409 20 30 HIEDRN COc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C(C)C)cc1 ZINC000559473426 943969588 /nfs/dbraw/zinc/96/95/88/943969588.db2.gz ILRGUKDSTCRKCU-HSZRJFAPSA-N 0 0 421.541 4.065 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)c1C#N ZINC000559559139 944004073 /nfs/dbraw/zinc/00/40/73/944004073.db2.gz WHBCXFDDQFJWEG-GOSISDBHSA-N 0 0 410.543 4.395 20 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944025933 /nfs/dbraw/zinc/02/59/33/944025933.db2.gz OAOMVALALCROJX-VQIMIIECSA-N 0 0 420.538 4.154 20 30 HIEDRN N#Cc1nc(N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1C(F)(F)F ZINC000559806768 944055779 /nfs/dbraw/zinc/05/57/79/944055779.db2.gz DONWCDSZYLVJIJ-UHFFFAOYSA-N 0 0 400.404 4.033 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N(CCC(F)(F)F)CC2CC2)c1C#N ZINC000559823084 944060090 /nfs/dbraw/zinc/06/00/90/944060090.db2.gz NSAWXXNQPBXYIF-UHFFFAOYSA-N 0 0 401.454 4.047 20 30 HIEDRN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000559828868 944063476 /nfs/dbraw/zinc/06/34/76/944063476.db2.gz XHHWAFCBPUTJIK-OAHLLOKOSA-N 0 0 402.479 4.384 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000559883648 944074494 /nfs/dbraw/zinc/07/44/94/944074494.db2.gz BKRKXIJCUIUJES-UHFFFAOYSA-N 0 0 405.523 4.031 20 30 HIEDRN COc1ccc(Cc2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)c(Cl)c1OC ZINC000559945122 944095443 /nfs/dbraw/zinc/09/54/43/944095443.db2.gz ZLHUPHSPBFROPV-UHFFFAOYSA-N 0 0 424.766 4.283 20 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CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000056478653 850377335 /nfs/dbraw/zinc/37/73/35/850377335.db2.gz ABRQZUVMSCCTLV-HNNXBMFYSA-N 0 0 418.419 4.226 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1cccc(C)c1I ZINC000056478601 850377668 /nfs/dbraw/zinc/37/76/68/850377668.db2.gz AJTIWYXRVFACML-UHFFFAOYSA-N 0 0 406.223 4.122 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000056489533 850379992 /nfs/dbraw/zinc/37/99/92/850379992.db2.gz PBTOHQFPTGLDNG-HSZRJFAPSA-N 0 0 405.498 4.402 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)NCCCC)c1 ZINC000056573305 850397913 /nfs/dbraw/zinc/39/79/13/850397913.db2.gz IWGBJEPCAIVYQR-UHFFFAOYSA-N 0 0 419.522 4.124 20 30 HIEDRN N#Cc1cc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)ccc1OCC(F)(F)F ZINC000056692812 850441705 /nfs/dbraw/zinc/44/17/05/850441705.db2.gz UTIGEVRXLKKJGE-UHFFFAOYSA-N 0 0 418.375 4.036 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000056745140 850463180 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HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409582039 855552304 /nfs/dbraw/zinc/55/23/04/855552304.db2.gz NRCOGDJPPOTCGQ-CYBMUJFWSA-N 0 0 407.417 4.221 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)n2)c1 ZINC000409594559 855557099 /nfs/dbraw/zinc/55/70/99/855557099.db2.gz AOWRMPKWMLDQQN-IBGZPJMESA-N 0 0 408.408 4.153 20 30 HIEDRN C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409623606 855569841 /nfs/dbraw/zinc/56/98/41/855569841.db2.gz IDSRHBMMDODEGI-CQSZACIVSA-N 0 0 405.395 4.168 20 30 HIEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409632657 855573521 /nfs/dbraw/zinc/57/35/21/855573521.db2.gz SXFJAACJPZHRQK-QFIPXVFZSA-N 0 0 410.481 4.091 20 30 HIEDRN Cc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cccc1OCC(F)(F)F ZINC000409643342 855579610 /nfs/dbraw/zinc/57/96/10/855579610.db2.gz BVBMBZFTBPXIOZ-UHFFFAOYSA-N 0 0 400.360 4.246 20 30 HIEDRN COc1ccc2oc([C@@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c(C)c2c1 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N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)CCO2)c1 ZINC000409879861 855703143 /nfs/dbraw/zinc/70/31/43/855703143.db2.gz RZHBVHDMGDQCEW-QMMLZNLJSA-N 0 0 414.864 4.028 20 30 HIEDRN CCOc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1Br ZINC000409947992 855739066 /nfs/dbraw/zinc/73/90/66/855739066.db2.gz YRFIQWXIXQSUJS-UHFFFAOYSA-N 0 0 411.259 4.157 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000437391232 862715959 /nfs/dbraw/zinc/71/59/59/862715959.db2.gz GIAMIAIUAAINIO-NSHDSACASA-N 0 0 424.259 4.481 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1 ZINC000437391210 862716207 /nfs/dbraw/zinc/71/62/07/862716207.db2.gz LZIOLYUMQMAZIO-MOPGFXCFSA-N 0 0 400.425 4.381 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1)n1cnc(C#N)n1 ZINC000409975121 855756046 /nfs/dbraw/zinc/75/60/46/855756046.db2.gz CEVPHESTZOGYQO-NSHDSACASA-N 0 0 408.874 4.280 20 30 HIEDRN C=CCC[C@H](NC(=O)c1nnn(CCOc2ccc(F)cc2)c1C)c1ccccc1 ZINC000409977015 855756873 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C=CCN1CC[C@@H](N(C)C(=O)c2cccc(CSc3cc(C)ccc3C)c2)C1=O ZINC000410178828 855851698 /nfs/dbraw/zinc/85/16/98/855851698.db2.gz OPMOIOKWPISHEY-OAQYLSRUSA-N 0 0 408.567 4.455 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000437393457 862728160 /nfs/dbraw/zinc/72/81/60/862728160.db2.gz PZVIHRRLUPXBBJ-CYBMUJFWSA-N 0 0 405.376 4.054 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000410301718 855915428 /nfs/dbraw/zinc/91/54/28/855915428.db2.gz VJIGJGJFFHDYGP-INIZCTEOSA-N 0 0 407.543 4.347 20 30 HIEDRN Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)cc1Cl ZINC000410350492 855943844 /nfs/dbraw/zinc/94/38/44/855943844.db2.gz FLNWVADOACPSNX-UHFFFAOYSA-N 0 0 410.204 4.388 20 30 HIEDRN C=CCCc1ccccc1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000410355027 855945963 /nfs/dbraw/zinc/94/59/63/855945963.db2.gz PUAVXTJVRPNHIE-UHFFFAOYSA-N 0 0 419.294 4.465 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000410379437 855962713 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C=CCOc1cccc(NC(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426073303 856088647 /nfs/dbraw/zinc/08/86/47/856088647.db2.gz PEDMVGORLZCQQU-INIZCTEOSA-N 0 0 408.420 4.243 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000426105459 856110287 /nfs/dbraw/zinc/11/02/87/856110287.db2.gz VFNQJQXAUJNEMJ-UHFFFAOYSA-N 0 0 411.452 4.369 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000437404994 862759465 /nfs/dbraw/zinc/75/94/65/862759465.db2.gz KQHPOLNRXVXVPK-CQSZACIVSA-N 0 0 419.403 4.444 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(Cl)c1 ZINC000426139220 856133261 /nfs/dbraw/zinc/13/32/61/856133261.db2.gz NKWOVZSXJXPCSN-ZDUSSCGKSA-N 0 0 418.284 4.143 20 30 HIEDRN COc1cc2[nH]c(CCCNC(=O)Nc3ccc(C#N)cc3Cl)cc2c(OC)c1 ZINC000426154926 856143257 /nfs/dbraw/zinc/14/32/57/856143257.db2.gz XMNIWHWAJSOWJZ-UHFFFAOYSA-N 0 0 412.877 4.464 20 30 HIEDRN Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000426159338 856146069 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4.230 20 30 HIEDRN O=C([C@@H]1Cc2ccccc2CN1CC#Cc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000426357678 856258207 /nfs/dbraw/zinc/25/82/07/856258207.db2.gz RUFTVJNXBDIDKM-QFIPXVFZSA-N 0 0 412.455 4.106 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000426361517 856259505 /nfs/dbraw/zinc/25/95/05/856259505.db2.gz MOMCQNWNONDPKZ-WAFIAJKMSA-N 0 0 401.510 4.133 20 30 HIEDRN O=C(c1ccc(F)cc1)N1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426401478 856275254 /nfs/dbraw/zinc/27/52/54/856275254.db2.gz PPVCWVDMDOBBDF-UHFFFAOYSA-N 0 0 404.407 4.044 20 30 HIEDRN Cc1sc(NC(=O)CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000426407613 856277741 /nfs/dbraw/zinc/27/77/41/856277741.db2.gz VVCJQYLBNSGWLP-WMZOPIPTSA-N 0 0 424.353 4.072 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c(OC)c1 ZINC000437413246 862776984 /nfs/dbraw/zinc/77/69/84/862776984.db2.gz NNKCENTYBSQVCG-SJORKVTESA-N 0 0 403.425 4.076 20 30 HIEDRN COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1C ZINC000426438476 856290111 /nfs/dbraw/zinc/29/01/11/856290111.db2.gz UCVTUEPXMUUFFC-UHFFFAOYSA-N 0 0 403.438 4.121 20 30 HIEDRN CCN(C(=O)CNc1cccc(C#N)c1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000426438982 856291446 /nfs/dbraw/zinc/29/14/46/856291446.db2.gz FTNNCAZJBLZZJS-XMMPIXPASA-N 0 0 402.473 4.451 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnn(-c3ccncc3)c2C(F)F)cc1 ZINC000426456654 856299440 /nfs/dbraw/zinc/29/94/40/856299440.db2.gz DKDNVOYVNCEKGB-UHFFFAOYSA-N 0 0 411.412 4.164 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCCOC2CCCCCC2)ccc1Oc1ccccc1 ZINC000426495794 856319197 /nfs/dbraw/zinc/31/91/97/856319197.db2.gz HXLKMHQNEQBOSQ-UHFFFAOYSA-N 0 0 421.497 4.145 20 30 HIEDRN CS[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426511387 856327870 /nfs/dbraw/zinc/32/78/70/856327870.db2.gz RNNAUFGXBSROCZ-APWZRJJASA-N 0 0 409.511 4.079 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000437414929 862783316 /nfs/dbraw/zinc/78/33/16/862783316.db2.gz SAEXEGQAYCYIQX-HNNXBMFYSA-N 0 0 406.511 4.218 20 30 HIEDRN CC(C)CCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C1CCCC1 ZINC000437415975 862783345 /nfs/dbraw/zinc/78/33/45/862783345.db2.gz GAIMCRPWMLSDLP-UHFFFAOYSA-N 0 0 410.543 4.438 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCC2(c3cccc(F)c3F)CCCC2)ccc1Cl ZINC000426529995 856336406 /nfs/dbraw/zinc/33/64/06/856336406.db2.gz CWDXNJRVEHVOAO-UHFFFAOYSA-N 0 0 417.843 4.057 20 30 HIEDRN N#Cc1ccc(-c2nc(-c3cc(Br)sc3Br)no2)o1 ZINC000426571281 856354637 /nfs/dbraw/zinc/35/46/37/856354637.db2.gz UFXINPMFRFBOOZ-UHFFFAOYSA-N 0 0 401.039 4.455 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1 ZINC000426576651 856356675 /nfs/dbraw/zinc/35/66/75/856356675.db2.gz LNRWNUIJOCYDRK-UHFFFAOYSA-N 0 0 415.453 4.308 20 30 HIEDRN Cc1cn2c(nc(C)c2-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)s1 ZINC000426588194 856362251 /nfs/dbraw/zinc/36/22/51/856362251.db2.gz OMSQTXCNRDHHLB-AWEZNQCLSA-N 0 0 408.462 4.067 20 30 HIEDRN Cc1ccccc1C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000426638354 856387236 /nfs/dbraw/zinc/38/72/36/856387236.db2.gz IZBHKOGDPPYIHO-XMMPIXPASA-N 0 0 414.505 4.479 20 30 HIEDRN Cc1ccccc1C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000426655208 856396314 /nfs/dbraw/zinc/39/63/14/856396314.db2.gz CDKRJQPPHUZODQ-DEOSSOPVSA-N 0 0 414.505 4.479 20 30 HIEDRN C=C(C)COc1cc(C[NH2+]C2CCN(c3ccc(C(=O)[O-])cc3)CC2)ccc1OC ZINC000426664567 856401957 /nfs/dbraw/zinc/40/19/57/856401957.db2.gz RYRPNPYPLOTFRH-UHFFFAOYSA-N 0 0 410.514 4.107 20 30 HIEDRN CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426685684 856411819 /nfs/dbraw/zinc/41/18/19/856411819.db2.gz JRHGENHOICSAHW-UHFFFAOYSA-N 0 0 417.440 4.477 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1OCC ZINC000426697072 856418478 /nfs/dbraw/zinc/41/84/78/856418478.db2.gz VQBHSFJQXCEXCU-UHFFFAOYSA-N 0 0 412.324 4.146 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1OCC ZINC000426729408 856438049 /nfs/dbraw/zinc/43/80/49/856438049.db2.gz CNSCSAQYKPSYIP-VQIMIIECSA-N 0 0 412.324 4.146 20 30 HIEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@@H](Cc3ccc(F)cc3)C(=O)[O-])c2)c1 ZINC000426733772 856441606 /nfs/dbraw/zinc/44/16/06/856441606.db2.gz ZJZFFLDQURPAIS-QHCPKHFHSA-N 0 0 404.441 4.062 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)cc1OCC ZINC000426763697 856464753 /nfs/dbraw/zinc/46/47/53/856464753.db2.gz CZKDPLCEGMHLMR-INIZCTEOSA-N 0 0 400.313 4.002 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000426804012 856488279 /nfs/dbraw/zinc/48/82/79/856488279.db2.gz RFCITHFBHSGPGH-UHFFFAOYSA-N 0 0 421.460 4.408 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC4(C3)CCCC4)cc2Cl)c1 ZINC000426814504 856493499 /nfs/dbraw/zinc/49/34/99/856493499.db2.gz GTMZVSNOGQJQDZ-UHFFFAOYSA-N 0 0 423.900 4.132 20 30 HIEDRN C=C(C)COc1cc(C[NH2+][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])ccc1OC ZINC000426825874 856500802 /nfs/dbraw/zinc/50/08/02/856500802.db2.gz NJLIIYCJPSWJEK-FQEVSTJZSA-N 0 0 412.461 4.056 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)C2)n1 ZINC000437433304 862805569 /nfs/dbraw/zinc/80/55/69/862805569.db2.gz XDXVIUTZGOBSBJ-ZJOUEHCJSA-N 0 0 408.933 4.194 20 30 HIEDRN COc1cccc([C@@H](NC(=O)CNc2cccc(C#N)c2)c2cc(F)ccc2OC)c1 ZINC000426879354 856524437 /nfs/dbraw/zinc/52/44/37/856524437.db2.gz REKVMQCQWAWPIO-XMMPIXPASA-N 0 0 419.456 4.032 20 30 HIEDRN CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1OCC(=O)N(C)C ZINC000426888701 856527954 /nfs/dbraw/zinc/52/79/54/856527954.db2.gz JFLFRAVXMUQPNO-OAHLLOKOSA-N 0 0 406.408 4.002 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000437435370 862807371 /nfs/dbraw/zinc/80/73/71/862807371.db2.gz PTHGGFIBBHAFHG-UHFFFAOYSA-N 0 0 423.488 4.394 20 30 HIEDRN C=C(C)COCCNC(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000426922368 856543535 /nfs/dbraw/zinc/54/35/35/856543535.db2.gz ATZGJDJBUALTAO-UHFFFAOYSA-N 0 0 422.403 4.145 20 30 HIEDRN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000437450314 862816016 /nfs/dbraw/zinc/81/60/16/862816016.db2.gz HTRRXKYKCQZZND-UHFFFAOYSA-N 0 0 401.441 4.173 20 30 HIEDRN CCc1cnccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426985109 856579286 /nfs/dbraw/zinc/57/92/86/856579286.db2.gz DUEOOUJCZOPUBH-MRXNPFEDSA-N 0 0 414.465 4.124 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000426991604 856583309 /nfs/dbraw/zinc/58/33/09/856583309.db2.gz NPXKPTJEOGLPKL-DYVFJYSZSA-N 0 0 408.445 4.499 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000426994939 856585111 /nfs/dbraw/zinc/58/51/11/856585111.db2.gz LDUCFNVJKVSBIK-CABCVRRESA-N 0 0 417.214 4.297 20 30 HIEDRN Cc1cccc(NC(=O)N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000427004409 856590262 /nfs/dbraw/zinc/59/02/62/856590262.db2.gz HMSYJNRODIZGQF-UHFFFAOYSA-N 0 0 401.432 4.215 20 30 HIEDRN N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)c1 ZINC000427007742 856593217 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HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C ZINC000437466816 862828789 /nfs/dbraw/zinc/82/87/89/862828789.db2.gz LFRBMDRTIFRPSX-IFXJQAMLSA-N 0 0 422.451 4.121 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC[C@@H]4CCC[C@@H]43)cc2Cl)c1 ZINC000427412918 856810161 /nfs/dbraw/zinc/81/01/61/856810161.db2.gz KOQOZOZJVRQZMN-PXNSSMCTSA-N 0 0 423.900 4.130 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3F)CC2)c(Cl)c1 ZINC000427436500 856819331 /nfs/dbraw/zinc/81/93/31/856819331.db2.gz RTPSACRUGLQIPG-UHFFFAOYSA-N 0 0 408.864 4.308 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c2ccccc21 ZINC000427437575 856820126 /nfs/dbraw/zinc/82/01/26/856820126.db2.gz XWOKMQVICJZSDU-QGZVFWFLSA-N 0 0 406.461 4.163 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000437480762 862839809 /nfs/dbraw/zinc/83/98/09/862839809.db2.gz GTFQPJDZBYOVSF-SGTLLEGYSA-N 0 0 408.285 4.287 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 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C=CCN(CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)Cc1cccs1 ZINC000428460858 857209160 /nfs/dbraw/zinc/20/91/60/857209160.db2.gz LGXZIAGVOQTXCK-UHFFFAOYSA-N 0 0 404.605 4.063 20 30 HIEDRN COc1cccc(C2=CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c1 ZINC000428498088 857226317 /nfs/dbraw/zinc/22/63/17/857226317.db2.gz JSVDSBDQCAKXED-UHFFFAOYSA-N 0 0 412.493 4.402 20 30 HIEDRN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1noc(-c2ccccc2)n1 ZINC000428517971 857237477 /nfs/dbraw/zinc/23/74/77/857237477.db2.gz XGJBGRCDWSLPOD-INIZCTEOSA-N 0 0 412.453 4.005 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCc4ccc(-c5ccccc5)cc43)cc2)c1N ZINC000428619145 857280270 /nfs/dbraw/zinc/28/02/70/857280270.db2.gz KBMHPEVOPAJPEI-XMMPIXPASA-N 0 0 419.488 4.410 20 30 HIEDRN C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000428635064 857283668 /nfs/dbraw/zinc/28/36/68/857283668.db2.gz DOPGLYDDRBKMJL-GOSISDBHSA-N 0 0 410.481 4.140 20 30 HIEDRN CCc1nnc(-c2cccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)c2)o1 ZINC000428635209 857284644 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CCN(CCC#N)C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000428870844 857379676 /nfs/dbraw/zinc/37/96/76/857379676.db2.gz GTUKFBKUTLTUQA-UHFFFAOYSA-N 0 0 404.268 4.144 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000437590963 862905701 /nfs/dbraw/zinc/90/57/01/862905701.db2.gz NQGJKOQIJKKLHB-UHFFFAOYSA-N 0 0 400.822 4.195 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000428890600 857394419 /nfs/dbraw/zinc/39/44/19/857394419.db2.gz VCXMEXHKYRDUIA-RXAIFQJESA-N 0 0 401.557 4.482 20 30 HIEDRN CN(C)C(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1Cl ZINC000428909968 857407300 /nfs/dbraw/zinc/40/73/00/857407300.db2.gz ZRZACFCTDVYGTO-UHFFFAOYSA-N 0 0 421.888 4.071 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3c(C)nc(C#N)c3C#N)sc2C1 ZINC000428920876 857416140 /nfs/dbraw/zinc/41/61/40/857416140.db2.gz JHZDMLSCMFCZAE-AWEZNQCLSA-N 0 0 420.542 4.048 20 30 HIEDRN Cc1oc(NC(=O)CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c(C#N)c1C ZINC000428923024 857417542 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CCSc1nccnc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000430408155 858148673 /nfs/dbraw/zinc/14/86/73/858148673.db2.gz YKGHYMJLUFOFIM-UHFFFAOYSA-N 0 0 404.495 4.486 20 30 HIEDRN CCSc1nccnc1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000430415662 858150286 /nfs/dbraw/zinc/15/02/86/858150286.db2.gz PWXFGQKLDMJNJN-UHFFFAOYSA-N 0 0 406.486 4.442 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1-c1ccccc1 ZINC000430417805 858151010 /nfs/dbraw/zinc/15/10/10/858151010.db2.gz VOANQGMIRJANOZ-UHFFFAOYSA-N 0 0 420.542 4.158 20 30 HIEDRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)NCC2(CC#N)CC2)cc1OC ZINC000430440142 858164993 /nfs/dbraw/zinc/16/49/93/858164993.db2.gz RQUOFUAAUSISFS-FQEVSTJZSA-N 0 0 407.514 4.289 20 30 HIEDRN CN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430448105 858170319 /nfs/dbraw/zinc/17/03/19/858170319.db2.gz KJKXIEGXBUUTEC-ICSRJNTNSA-N 0 0 421.349 4.215 20 30 HIEDRN CC1=C[C@H](C)CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000430475731 858185996 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20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3c4ccccc4S[C@@H](C)[C@H]3C)C2)n1 ZINC000430665662 858257409 /nfs/dbraw/zinc/25/74/09/858257409.db2.gz XUMGVODUAHKVPL-AOIWGVFYSA-N 0 0 406.555 4.394 20 30 HIEDRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000430714247 858276078 /nfs/dbraw/zinc/27/60/78/858276078.db2.gz KLPXVSCIONWBDG-HNNXBMFYSA-N 0 0 401.482 4.099 20 30 HIEDRN N#CCSc1cccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000430740063 858283730 /nfs/dbraw/zinc/28/37/30/858283730.db2.gz OVFMYNGAFPRONT-UHFFFAOYSA-N 0 0 419.472 4.279 20 30 HIEDRN C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430812386 858313326 /nfs/dbraw/zinc/31/33/26/858313326.db2.gz VTIITGIHUKNKDV-IBGZPJMESA-N 0 0 409.489 4.317 20 30 HIEDRN C=CCN1C(=O)N(Cc2csc(Br)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430849002 858332285 /nfs/dbraw/zinc/33/22/85/858332285.db2.gz QFXXSWLGZBTKPV-HNNXBMFYSA-N 0 0 405.317 4.072 20 30 HIEDRN N#CCC1(CNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000430866722 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DGEJNSNMZQRTQC-VIFPVBQESA-N 0 0 424.320 4.005 20 30 HIEDRN C=CCc1cc(CN2C(=O)CN([C@@H](CC)c3ccccc3)C2=O)cc(OC)c1OC ZINC000430996177 858398273 /nfs/dbraw/zinc/39/82/73/858398273.db2.gz MGRPKYFAXMTFDN-FQEVSTJZSA-N 0 0 408.498 4.348 20 30 HIEDRN C=CCN1C(=O)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431019608 858405577 /nfs/dbraw/zinc/40/55/77/858405577.db2.gz QYRWTRCCCBZWON-YTFSRNRJSA-N 0 0 404.510 4.216 20 30 HIEDRN C=CCN1C(=O)N(CC2(c3ccccc3C)CCOCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431027337 858408510 /nfs/dbraw/zinc/40/85/10/858408510.db2.gz ITRJDOXRUXLGNZ-QHCPKHFHSA-N 0 0 418.537 4.105 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000431084592 858440399 /nfs/dbraw/zinc/44/03/99/858440399.db2.gz LCVNQCNIMGDBNS-TZIWHRDSSA-N 0 0 422.916 4.270 20 30 HIEDRN COc1ccccc1NC(=O)Nc1cc(NC(=O)NCC2(CC#N)CC2)ccc1OC ZINC000431103394 858447655 /nfs/dbraw/zinc/44/76/55/858447655.db2.gz XEGRMBSRILBWCS-UHFFFAOYSA-N 0 0 423.473 4.163 20 30 HIEDRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)nc1 ZINC000431176220 858487760 /nfs/dbraw/zinc/48/77/60/858487760.db2.gz SPVBCOFBRXZGAQ-UHFFFAOYSA-N 0 0 412.493 4.407 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000431208123 858503945 /nfs/dbraw/zinc/50/39/45/858503945.db2.gz AMWZRXBVTRPXSK-CXAGYDPISA-N 0 0 416.934 4.472 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000437695588 863031025 /nfs/dbraw/zinc/03/10/25/863031025.db2.gz SLUWSVXIWFIMEI-FCHUYYIVSA-N 0 0 402.498 4.226 20 30 HIEDRN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)C[C@H](C)O2 ZINC000431231208 858519021 /nfs/dbraw/zinc/51/90/21/858519021.db2.gz LAANGVOAPUBJRS-KCYKTTMJSA-N 0 0 424.472 4.288 20 30 HIEDRN Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(N2CCOCC2)c1 ZINC000431293828 858551193 /nfs/dbraw/zinc/55/11/93/858551193.db2.gz GJRLYUPGVDETLB-JOCHJYFZSA-N 0 0 406.530 4.066 20 30 HIEDRN C=CCCC[C@@H](C)N1C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000431299432 858553035 /nfs/dbraw/zinc/55/30/35/858553035.db2.gz MZOVGOSCPYACOR-WBMJQRKESA-N 0 0 404.308 4.138 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000431308571 858557130 /nfs/dbraw/zinc/55/71/30/858557130.db2.gz VTHINMHBNODWIT-NHCUHLMSSA-N 0 0 405.502 4.027 20 30 HIEDRN N#Cc1ccccc1OC1CCC(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000431327834 858567054 /nfs/dbraw/zinc/56/70/54/858567054.db2.gz JNEGYLDFABWNMB-UHFFFAOYSA-N 0 0 423.900 4.366 20 30 HIEDRN Cc1nc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)c(C)o1 ZINC000431329559 858568480 /nfs/dbraw/zinc/56/84/80/858568480.db2.gz CJUUQKQBGZXUSE-UHFFFAOYSA-N 0 0 406.389 4.482 20 30 HIEDRN N#Cc1ccc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)o1 ZINC000431345168 858573606 /nfs/dbraw/zinc/57/36/06/858573606.db2.gz RMWMKQBRXUABLP-UHFFFAOYSA-N 0 0 411.820 4.225 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000431349034 858574196 /nfs/dbraw/zinc/57/41/96/858574196.db2.gz KQXRCPHAMITDED-UHFFFAOYSA-N 0 0 418.522 4.276 20 30 HIEDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)C(C)(C)C ZINC000431351722 858575908 /nfs/dbraw/zinc/57/59/08/858575908.db2.gz RMCUFODBKOIBDW-NRFANRHFSA-N 0 0 407.514 4.496 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCSC2(CCCCC2)C1 ZINC000431382418 858587576 /nfs/dbraw/zinc/58/75/76/858587576.db2.gz MGDRCYQFWRCBHG-INIZCTEOSA-N 0 0 417.600 4.155 20 30 HIEDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)(C)C ZINC000431384381 858588327 /nfs/dbraw/zinc/58/83/27/858588327.db2.gz SDOGVHQWXXVJBW-SFHVURJKSA-N 0 0 415.440 4.310 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC1CCC1)C(C)C ZINC000431548603 858665411 /nfs/dbraw/zinc/66/54/11/858665411.db2.gz FICRKFBXYNZMSU-UHFFFAOYSA-N 0 0 409.324 4.135 20 30 HIEDRN Cc1ccc(Br)c(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431628552 858699608 /nfs/dbraw/zinc/69/96/08/858699608.db2.gz RBIHAAMPNWVGMW-KRWDZBQOSA-N 0 0 407.333 4.471 20 30 HIEDRN COc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Br ZINC000431645619 858708839 /nfs/dbraw/zinc/70/88/39/858708839.db2.gz YTJCCHQYJXRMMI-KRWDZBQOSA-N 0 0 423.332 4.171 20 30 HIEDRN COC(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1C)c1ccc(OC(F)(F)F)cc1 ZINC000431700207 858749539 /nfs/dbraw/zinc/74/95/39/858749539.db2.gz ZFXFDULRBJVRNY-KRWDZBQOSA-N 0 0 421.375 4.191 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000431701960 858750647 /nfs/dbraw/zinc/75/06/47/858750647.db2.gz JSAFRMLRTGNWSV-UHFFFAOYSA-N 0 0 401.388 4.411 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000431709506 858754642 /nfs/dbraw/zinc/75/46/42/858754642.db2.gz GUVJKVCYWYQYHK-QGZVFWFLSA-N 0 0 405.433 4.467 20 30 HIEDRN Cc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)c(O[C@H](C)CC(C)C)c1 ZINC000431739199 858777878 /nfs/dbraw/zinc/77/78/78/858777878.db2.gz YVWOTAAJUPJRNB-QGZVFWFLSA-N 0 0 407.514 4.243 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000431750475 858786925 /nfs/dbraw/zinc/78/69/25/858786925.db2.gz NXGYCEXTPUBKNZ-UHFFFAOYSA-N 0 0 421.403 4.192 20 30 HIEDRN C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)[C@H]1OCCc2sccc21 ZINC000431791104 858813473 /nfs/dbraw/zinc/81/34/73/858813473.db2.gz LBJFSWWMNLDIHR-UXEPBGEESA-N 0 0 405.317 4.142 20 30 HIEDRN Cc1cccc([C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)N2CCOCC2)c1 ZINC000431818061 858825917 /nfs/dbraw/zinc/82/59/17/858825917.db2.gz MSQNRJBDPOBPTC-ZEQRLZLVSA-N 0 0 420.557 4.103 20 30 HIEDRN COc1ccc(C2(CNC(=O)N[C@H](CCCC#N)c3ccccc3)CCOCC2)cc1 ZINC000431865394 858845861 /nfs/dbraw/zinc/84/58/61/858845861.db2.gz PVOJVTGARXSFAT-HSZRJFAPSA-N 0 0 421.541 4.478 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1 ZINC000431872752 858850052 /nfs/dbraw/zinc/85/00/52/858850052.db2.gz PUSXJZCSNAIVHJ-YADHBBJMSA-N 0 0 420.513 4.038 20 30 HIEDRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000431910218 858865728 /nfs/dbraw/zinc/86/57/28/858865728.db2.gz ULMOYLFRMSMROI-QHCPKHFHSA-N 0 0 405.523 4.316 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3cccc(OCC(F)(F)F)c3)CC2)c1 ZINC000431915937 858869398 /nfs/dbraw/zinc/86/93/98/858869398.db2.gz HLKGDRZTXCRLAM-UHFFFAOYSA-N 0 0 404.388 4.183 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(OCC(F)(F)F)c3)C2)c(F)c1 ZINC000431923636 858872061 /nfs/dbraw/zinc/87/20/61/858872061.db2.gz DPPJFLCFGRJLSF-MRXNPFEDSA-N 0 0 421.394 4.037 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCO)[C@H]1CCCSC1 ZINC000431986916 858906204 /nfs/dbraw/zinc/90/62/04/858906204.db2.gz OHWYDHFJBCXMOB-SFHVURJKSA-N 0 0 411.527 4.381 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2nc(C3CCCCC3)no2)C(=O)[C@H]1Cc1ccccc1 ZINC000432054546 858952666 /nfs/dbraw/zinc/95/26/66/858952666.db2.gz MBSGEBAWMQKQIJ-VQIMIIECSA-N 0 0 408.502 4.240 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@]2(CCOC2)O1 ZINC000432063652 858960726 /nfs/dbraw/zinc/96/07/26/858960726.db2.gz OSFBFJAMAUERRP-AUSIDOKSSA-N 0 0 407.470 4.152 20 30 HIEDRN CNC(=O)COc1ccc(NC(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 ZINC000432078823 858973690 /nfs/dbraw/zinc/97/36/90/858973690.db2.gz MBQMOEAMFPLVCG-OAHLLOKOSA-N 0 0 412.515 4.158 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCc1cccc(C(F)(F)F)n1 ZINC000432097223 858986230 /nfs/dbraw/zinc/98/62/30/858986230.db2.gz VLVAMTTXWQGZPF-UHFFFAOYSA-N 0 0 415.337 4.013 20 30 HIEDRN CCCC[C@](C)(NC(=O)Nc1ccn(CCC#N)n1)c1cccc(Br)c1 ZINC000432128353 859006212 /nfs/dbraw/zinc/00/62/12/859006212.db2.gz DYWIBNUCWWVVTN-IBGZPJMESA-N 0 0 418.339 4.786 20 30 HIEDRN CC[C@H](c1ccccc1)N1CC(=O)N(C2CCC(Oc3ncccc3C#N)CC2)C1=O ZINC000432207024 859046509 /nfs/dbraw/zinc/04/65/09/859046509.db2.gz UEGIDJLIAABTSN-XVAXZDLZSA-N 0 0 418.497 4.059 20 30 HIEDRN C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C1=O ZINC000432207966 859047630 /nfs/dbraw/zinc/04/76/30/859047630.db2.gz KZZALHODHPWPPI-PMACEKPBSA-N 0 0 413.399 4.366 20 30 HIEDRN C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)CN(Cc2cc(OC)cc(OC)c2)C1=O ZINC000432209944 859048496 /nfs/dbraw/zinc/04/84/96/859048496.db2.gz HZCVWIBNCPEMNM-OAQYLSRUSA-N 0 0 416.424 4.064 20 30 HIEDRN Cc1nn(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c2ccc([N+](=O)[O-])cc12 ZINC000432254146 859069768 /nfs/dbraw/zinc/06/97/68/859069768.db2.gz RNDCLKOVILWZPY-UHFFFAOYSA-N 0 0 411.849 4.162 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1C#N ZINC000432264992 859075560 /nfs/dbraw/zinc/07/55/60/859075560.db2.gz OYIWIZZATDZCJV-INIZCTEOSA-N 0 0 423.391 4.099 20 30 HIEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000432266934 859076580 /nfs/dbraw/zinc/07/65/80/859076580.db2.gz AAGAPXBKEKNRNZ-SFHVURJKSA-N 0 0 417.328 4.237 20 30 HIEDRN CC(F)(F)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000432291612 859088149 /nfs/dbraw/zinc/08/81/49/859088149.db2.gz LYZQBTHCILVQEF-UHFFFAOYSA-N 0 0 404.360 4.167 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432400580 859145274 /nfs/dbraw/zinc/14/52/74/859145274.db2.gz JWUREPJIWCMDQG-IAGOWNOFSA-N 0 0 418.541 4.303 20 30 HIEDRN C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1cccc(OCc2ccccn2)c1 ZINC000432406837 859149851 /nfs/dbraw/zinc/14/98/51/859149851.db2.gz IYSKGYRCSNRTEW-KRWDZBQOSA-N 0 0 400.482 4.089 20 30 HIEDRN N#Cc1cscc1C(=O)NCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000432407092 859149862 /nfs/dbraw/zinc/14/98/62/859149862.db2.gz KGPMVLVTWKABHX-UHFFFAOYSA-N 0 0 419.506 4.347 20 30 HIEDRN N#Cc1c(F)ccc(CNc2nc3ccccc3n2CCCn2ccnc2)c1Cl ZINC000432411138 859151034 /nfs/dbraw/zinc/15/10/34/859151034.db2.gz VTYZAPDHBWNVME-UHFFFAOYSA-N 0 0 408.868 4.599 20 30 HIEDRN COC1(CNc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CCOCC1 ZINC000432430605 859161670 /nfs/dbraw/zinc/16/16/70/859161670.db2.gz SXJMSIHVNGGORJ-UHFFFAOYSA-N 0 0 411.449 4.232 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000432463120 859175047 /nfs/dbraw/zinc/17/50/47/859175047.db2.gz MFOADYNKBMORGE-OKILXGFUSA-N 0 0 410.905 4.286 20 30 HIEDRN Cc1ccc(Br)cc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432481137 859185899 /nfs/dbraw/zinc/18/58/99/859185899.db2.gz ABBMSGMVPVMBPM-UHFFFAOYSA-N 0 0 400.276 4.377 20 30 HIEDRN CCOc1ccc2nc(NC(=O)CCCC(=O)Nc3ccccc3C#N)sc2c1 ZINC000432490282 859190907 /nfs/dbraw/zinc/19/09/07/859190907.db2.gz RSRJCEUHCSDZEJ-UHFFFAOYSA-N 0 0 408.483 4.314 20 30 HIEDRN COc1ccc(C2(NC(=O)CCCC(=O)Nc3ccccc3C#N)CCCC2)cc1 ZINC000432500300 859196085 /nfs/dbraw/zinc/19/60/85/859196085.db2.gz LFNQVVXSFLCDPR-UHFFFAOYSA-N 0 0 405.498 4.261 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CCOC[C@@H]1C ZINC000432544507 859219208 /nfs/dbraw/zinc/21/92/08/859219208.db2.gz FLIBVFQCDZRLCZ-KSSFIOAISA-N 0 0 413.543 4.180 20 30 HIEDRN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)cc2)n1 ZINC000432560182 859226689 /nfs/dbraw/zinc/22/66/89/859226689.db2.gz UDLNGFKKTJZJPU-UHFFFAOYSA-N 0 0 403.511 4.435 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432571107 859231886 /nfs/dbraw/zinc/23/18/86/859231886.db2.gz FZZIRRFLTOMXOV-AUUYWEPGSA-N 0 0 404.495 4.284 20 30 HIEDRN Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)ccc1Br ZINC000432581885 859238547 /nfs/dbraw/zinc/23/85/47/859238547.db2.gz ZCPQXWKEZSWFAS-UHFFFAOYSA-N 0 0 400.276 4.377 20 30 HIEDRN Cc1nc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)sc1SCC#N ZINC000432641732 859267306 /nfs/dbraw/zinc/26/73/06/859267306.db2.gz JIXQDERGXHQYIK-UHFFFAOYSA-N 0 0 408.508 4.316 20 30 HIEDRN Cc1nc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)sc1SCC#N ZINC000432642903 859268505 /nfs/dbraw/zinc/26/85/05/859268505.db2.gz MOBPFRUNJLEMEJ-UHFFFAOYSA-N 0 0 401.435 4.190 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000432645816 859270741 /nfs/dbraw/zinc/27/07/41/859270741.db2.gz XYEPZELTEIRCCH-HXUWFJFHSA-N 0 0 422.554 4.192 20 30 HIEDRN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)C[C@H](C)O1 ZINC000432651400 859274245 /nfs/dbraw/zinc/27/42/45/859274245.db2.gz IDQFDDYHZXLMRT-UEXGIBASSA-N 0 0 407.518 4.252 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)c2)c1 ZINC000432665654 859280040 /nfs/dbraw/zinc/28/00/40/859280040.db2.gz HZIURIJMKXAKNE-NZQKXSOJSA-N 0 0 424.447 4.382 20 30 HIEDRN CCNC(=O)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)C ZINC000432683345 859292340 /nfs/dbraw/zinc/29/23/40/859292340.db2.gz ZABIKSCLKZOVEY-QUCCMNQESA-N 0 0 412.921 4.278 20 30 HIEDRN CC(C)(NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000432719418 859316688 /nfs/dbraw/zinc/31/66/88/859316688.db2.gz NSGRBWUGOWVIMK-UHFFFAOYSA-N 0 0 422.363 4.464 20 30 HIEDRN N#Cc1nn(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc12 ZINC000432728535 859322932 /nfs/dbraw/zinc/32/29/32/859322932.db2.gz COBVBPUHOFUOIY-FQEVSTJZSA-N 0 0 419.431 4.353 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3Oc3ccccc3)C2)nc1 ZINC000432738085 859327512 /nfs/dbraw/zinc/32/75/12/859327512.db2.gz PJFNCLGSTIQYRW-IBGZPJMESA-N 0 0 400.438 4.431 20 30 HIEDRN Cc1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1Oc1cccnc1 ZINC000432757694 859338033 /nfs/dbraw/zinc/33/80/33/859338033.db2.gz BZNFMFFIWNRZQB-FQEVSTJZSA-N 0 0 415.453 4.134 20 30 HIEDRN CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432766607 859346637 /nfs/dbraw/zinc/34/66/37/859346637.db2.gz HVACAZNAOJDNQC-UHFFFAOYSA-N 0 0 412.284 4.081 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)C2)nc1 ZINC000432767856 859347862 /nfs/dbraw/zinc/34/78/62/859347862.db2.gz JMTOIUHGFJHZBQ-JOCHJYFZSA-N 0 0 420.513 4.488 20 30 HIEDRN Cc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(OCC(=O)N(C)C)c1 ZINC000432769477 859350580 /nfs/dbraw/zinc/35/05/80/859350580.db2.gz OQDWDJDAUCIRKI-IBGZPJMESA-N 0 0 408.502 4.019 20 30 HIEDRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C#N)o3)cc2Cl)n1 ZINC000432778623 859356008 /nfs/dbraw/zinc/35/60/08/859356008.db2.gz FQGUFGWKXIXAJA-CYBMUJFWSA-N 0 0 411.849 4.070 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC3(CNC(=O)C3)CC2)cc1Cl ZINC000467609760 881416089 /nfs/dbraw/zinc/41/60/89/881416089.db2.gz BQJSGTQAIWPDLC-LJQANCHMSA-N 0 0 422.916 4.129 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432881425 859405194 /nfs/dbraw/zinc/40/51/94/859405194.db2.gz XLPOUJQHAAQYBE-UHFFFAOYSA-N 0 0 411.259 4.157 20 30 HIEDRN CCn1nccc1C1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000432897643 859415257 /nfs/dbraw/zinc/41/52/57/859415257.db2.gz NCHDOUOBHZMBIZ-UHFFFAOYSA-N 0 0 420.542 4.233 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)NCC3(CCO)CCCC3)c2)cc1 ZINC000467612189 881418956 /nfs/dbraw/zinc/41/89/56/881418956.db2.gz GWAIRFRBDKXKFO-UHFFFAOYSA-N 0 0 407.514 4.396 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cccc(N4CCCCCC4)c3)C2)nc1 ZINC000432953880 859446046 /nfs/dbraw/zinc/44/60/46/859446046.db2.gz KINHUHMVFZGEAD-NRFANRHFSA-N 0 0 405.502 4.019 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ncc(Br)cn1 ZINC000432959694 859449956 /nfs/dbraw/zinc/44/99/56/859449956.db2.gz IVPMUNIDUUOBRZ-MRVPVSSYSA-N 0 0 414.185 4.012 20 30 HIEDRN O=S(=O)(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(F)cc1C(F)(F)F ZINC000432963902 859451967 /nfs/dbraw/zinc/45/19/67/859451967.db2.gz ASFVPKLQUJAUCW-ZDUSSCGKSA-N 0 0 419.293 4.407 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)n1 ZINC000432984982 859463846 /nfs/dbraw/zinc/46/38/46/859463846.db2.gz OMZMXOBBZIGHAL-UHFFFAOYSA-N 0 0 417.469 4.223 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)C2)nc1 ZINC000433017091 859479872 /nfs/dbraw/zinc/47/98/72/859479872.db2.gz XGKPRLFUMGJDTQ-QGZVFWFLSA-N 0 0 404.392 4.133 20 30 HIEDRN N#CCCC[C@H](NC(=O)Nc1cccn(Cc2ccccc2)c1=O)c1ccccc1 ZINC000433026044 859486928 /nfs/dbraw/zinc/48/69/28/859486928.db2.gz NXNSQAKOQMWAOQ-NRFANRHFSA-N 0 0 400.482 4.453 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1cccn(Cc2ccccc2)c1=O)c1ccccc1 ZINC000433026046 859487348 /nfs/dbraw/zinc/48/73/48/859487348.db2.gz NXNSQAKOQMWAOQ-OAQYLSRUSA-N 0 0 400.482 4.453 20 30 HIEDRN C=CCNc1ncc(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000433102679 859522602 /nfs/dbraw/zinc/52/26/02/859522602.db2.gz RNOTWHCPSLFDQK-AWEZNQCLSA-N 0 0 424.501 4.623 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000433117832 859528101 /nfs/dbraw/zinc/52/81/01/859528101.db2.gz VKKCLOUGZFLWAT-NRFANRHFSA-N 0 0 409.493 4.498 20 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859622457 /nfs/dbraw/zinc/62/24/57/859622457.db2.gz PDIWJCOAHFTULH-OAQYLSRUSA-N 0 0 400.478 4.242 20 30 HIEDRN N#CCCn1cc(CNc2cccc(OC[C@@H]3CCCO3)c2)c(-c2ccncc2)n1 ZINC000433309209 859630554 /nfs/dbraw/zinc/63/05/54/859630554.db2.gz XQNSZVFNZNAFKU-QFIPXVFZSA-N 0 0 403.486 4.029 20 30 HIEDRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)sc2C1 ZINC000503233090 912212386 /nfs/dbraw/zinc/21/23/86/912212386.db2.gz RPLKRDKVEWLWPI-CVEARBPZSA-N 0 0 413.587 4.358 20 30 HIEDRN COc1cccc2c1CCCN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000433325235 859642401 /nfs/dbraw/zinc/64/24/01/859642401.db2.gz HTCFKOQSHJXRFV-UHFFFAOYSA-N 0 0 418.497 4.018 20 30 HIEDRN CC(=O)N(c1nnc(SCC#Cc2ccc(OC(F)(F)F)cc2)s1)C1CC1 ZINC000433376139 859664767 /nfs/dbraw/zinc/66/47/67/859664767.db2.gz RCYDIZXBZGGNAY-UHFFFAOYSA-N 0 0 413.446 4.096 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1 ZINC000433382234 859667296 /nfs/dbraw/zinc/66/72/96/859667296.db2.gz CSUNTHXONHGPRJ-ZBFHGGJFSA-N 0 0 410.358 4.421 20 30 HIEDRN COc1ccc(-c2nnc(SCC#Cc3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000433391435 859671703 /nfs/dbraw/zinc/67/17/03/859671703.db2.gz VNKVCTOFOCSXIZ-OAQYLSRUSA-N 0 0 423.513 4.416 20 30 HIEDRN CC(C)(C)c1ccc(C2(CNC(=O)C(=O)Nc3ccc(C#N)cc3F)CCC2)cc1 ZINC000433479671 859722852 /nfs/dbraw/zinc/72/28/52/859722852.db2.gz IJNKHHVYFHVFTO-UHFFFAOYSA-N 0 0 407.489 4.171 20 30 HIEDRN CC1(C)CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000433548431 859770696 /nfs/dbraw/zinc/77/06/96/859770696.db2.gz MZMZVIHRISYBIB-QFIPXVFZSA-N 0 0 403.526 4.366 20 30 HIEDRN CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1F ZINC000433598306 859803426 /nfs/dbraw/zinc/80/34/26/859803426.db2.gz DXANWPWXHHZCEX-UHFFFAOYSA-N 0 0 404.401 4.404 20 30 HIEDRN N#Cc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)c(Cl)c1 ZINC000433599360 859804188 /nfs/dbraw/zinc/80/41/88/859804188.db2.gz LHXNPXFZZXTDQW-UHFFFAOYSA-N 0 0 412.117 4.490 20 30 HIEDRN CC(C)(CNC(=O)NCCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000433601393 859804651 /nfs/dbraw/zinc/80/46/51/859804651.db2.gz YRFCEBFHQSAKKB-UHFFFAOYSA-N 0 0 418.353 4.199 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1OCC(F)(F)F ZINC000433601585 859804816 /nfs/dbraw/zinc/80/48/16/859804816.db2.gz ZSMJZNCJEYLUDG-UHFFFAOYSA-N 0 0 419.281 4.088 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cnn(-c3ccccc3C)c2CCC)c1 ZINC000433666895 859830944 /nfs/dbraw/zinc/83/09/44/859830944.db2.gz KOTLVIOGONCJTI-UHFFFAOYSA-N 0 0 418.497 4.275 20 30 HIEDRN C[C@@H]1CC2(CCC2)CN1C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000433685305 859837820 /nfs/dbraw/zinc/83/78/20/859837820.db2.gz VISPRZWRGRSGPC-GOSISDBHSA-N 0 0 417.509 4.061 20 30 HIEDRN C[C@@H](NC(=O)CN1CCc2ccccc2C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433689529 859838492 /nfs/dbraw/zinc/83/84/92/859838492.db2.gz JIGNWHMLNWUNAS-GOSISDBHSA-N 0 0 409.489 4.101 20 30 HIEDRN CC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1 ZINC000433688179 859838522 /nfs/dbraw/zinc/83/85/22/859838522.db2.gz JETIFXUVSIKVCH-UHFFFAOYSA-N 0 0 420.856 4.287 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)Cc1cc(Br)ccc1F ZINC000433711668 859847766 /nfs/dbraw/zinc/84/77/66/859847766.db2.gz CCWVUTFAXRJQCU-UHFFFAOYSA-N 0 0 407.308 4.052 20 30 HIEDRN N#C[C@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1ccc(Br)cc1 ZINC000433713942 859849500 /nfs/dbraw/zinc/84/95/00/859849500.db2.gz OUJVMSNGGSGWER-KRWDZBQOSA-N 0 0 424.254 4.034 20 30 HIEDRN COC(=O)c1ccsc1N1CC[C@@H](Nc2ccccc2S[C@H](C)CC#N)C1=O ZINC000433728033 859858428 /nfs/dbraw/zinc/85/84/28/859858428.db2.gz KSOAKFGBIJGOPK-CZUORRHYSA-N 0 0 415.540 4.146 20 30 HIEDRN Cc1cccc(Cl)c1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000467684117 881476370 /nfs/dbraw/zinc/47/63/70/881476370.db2.gz FUVAFSHQDXPKBV-UHFFFAOYSA-N 0 0 411.849 4.122 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)ccc21 ZINC000433838577 859924027 /nfs/dbraw/zinc/92/40/27/859924027.db2.gz YZPLLRCYWJDDCL-VQTJNVASSA-N 0 0 406.461 4.086 20 30 HIEDRN N#Cc1cc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)ccc1Oc1ccccc1 ZINC000433846578 859930288 /nfs/dbraw/zinc/93/02/88/859930288.db2.gz MQEVCVVDSKRYLP-OAQYLSRUSA-N 0 0 400.438 4.431 20 30 HIEDRN C[C@H]1CCc2onc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)c2C1 ZINC000433852057 859934813 /nfs/dbraw/zinc/93/48/13/859934813.db2.gz LJOYDHRLPMNBHV-HRAATJIYSA-N 0 0 401.466 4.373 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cn1)c1cccc(Cl)c1Cl ZINC000433854779 859935587 /nfs/dbraw/zinc/93/55/87/859935587.db2.gz XXOCEYSONWUOEH-CYBMUJFWSA-N 0 0 404.175 4.324 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C ZINC000467687738 881480206 /nfs/dbraw/zinc/48/02/06/881480206.db2.gz ISTPBRSYBXYBLC-KRWDZBQOSA-N 0 0 416.543 4.279 20 30 HIEDRN Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433894217 859953884 /nfs/dbraw/zinc/95/38/84/859953884.db2.gz ANQBEFPOCPOGGZ-UHFFFAOYSA-N 0 0 403.413 4.053 20 30 HIEDRN Cc1ccc(SC2(CNC(=O)C(=O)Nc3ccc(C#N)cc3F)CCCC2)cc1 ZINC000433896208 859955729 /nfs/dbraw/zinc/95/57/29/859955729.db2.gz IOPHWRRZYYNPAU-UHFFFAOYSA-N 0 0 411.502 4.166 20 30 HIEDRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433897077 859957007 /nfs/dbraw/zinc/95/70/07/859957007.db2.gz OJRQLHHJTMLTGY-IBGZPJMESA-N 0 0 407.470 4.106 20 30 HIEDRN CCn1c(SCC(=O)Nc2ccc(F)cc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000433979149 860013037 /nfs/dbraw/zinc/01/30/37/860013037.db2.gz OCIQMMIJPLIFPL-UHFFFAOYSA-N 0 0 415.881 4.360 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000433982041 860015832 /nfs/dbraw/zinc/01/58/32/860015832.db2.gz BFKWYUKRIORDGP-LJQANCHMSA-N 0 0 415.459 4.273 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1F ZINC000433994877 860025461 /nfs/dbraw/zinc/02/54/61/860025461.db2.gz QXILZXCUBNTTRW-MRXNPFEDSA-N 0 0 408.351 4.197 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000467698093 881492485 /nfs/dbraw/zinc/49/24/85/881492485.db2.gz VSZZPMQTWMEHEE-RHSMWYFYSA-N 0 0 411.315 4.054 20 30 HIEDRN Cc1c(C(=O)N2CCCC(C)(C)[C@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000434022747 860046461 /nfs/dbraw/zinc/04/64/61/860046461.db2.gz BKVPWZFYOGRAIM-QGZVFWFLSA-N 0 0 401.308 4.098 20 30 HIEDRN Cc1cccn2cc(COc3ccc(C(=O)N4CCCC(C)(C)[C@@H]4C#N)cc3)nc12 ZINC000434025573 860047721 /nfs/dbraw/zinc/04/77/21/860047721.db2.gz OWALPSLKOKUJOJ-NRFANRHFSA-N 0 0 402.498 4.376 20 30 HIEDRN CC1(C)CCCN(C(=O)CCCCCC(=O)N2CCCC(C)(C)[C@H]2C#N)[C@@H]1C#N ZINC000434032600 860053682 /nfs/dbraw/zinc/05/36/82/860053682.db2.gz SHAPCLWQRCLEJF-RTBURBONSA-N 0 0 400.567 4.018 20 30 HIEDRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434035410 860054689 /nfs/dbraw/zinc/05/46/89/860054689.db2.gz HMAYIYOZOJUNDJ-PRHODGIISA-N 0 0 423.275 4.500 20 30 HIEDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000434057147 860069285 /nfs/dbraw/zinc/06/92/85/860069285.db2.gz BXKGVTTUEHUKCD-FOIQADDNSA-N 0 0 402.416 4.091 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)c1ccccc1NCc1cccnc1 ZINC000434092256 860097140 /nfs/dbraw/zinc/09/71/40/860097140.db2.gz ODBBZXRWYTZZKP-UHFFFAOYSA-N 0 0 402.523 4.229 20 30 HIEDRN CCC(=O)c1cccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000434117739 860118362 /nfs/dbraw/zinc/11/83/62/860118362.db2.gz ANPJDPKYNFCTRR-UHFFFAOYSA-N 0 0 413.481 4.053 20 30 HIEDRN Cn1cc(C#N)cc1C(=O)N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC000434123873 860125027 /nfs/dbraw/zinc/12/50/27/860125027.db2.gz FTHQURARLVZLIE-UHFFFAOYSA-N 0 0 417.444 4.273 20 30 HIEDRN Cn1cc(Br)cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1=O ZINC000434162218 860157441 /nfs/dbraw/zinc/15/74/41/860157441.db2.gz XWIOAUGRXMPFAQ-UHFFFAOYSA-N 0 0 424.254 4.064 20 30 HIEDRN CCOc1ccc(NC(=O)NCCOCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000434163809 860158483 /nfs/dbraw/zinc/15/84/83/860158483.db2.gz OKDTWZPKRKIDHM-UHFFFAOYSA-N 0 0 406.298 4.143 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cc(Br)ccc1F ZINC000434239588 860221676 /nfs/dbraw/zinc/22/16/76/860221676.db2.gz LFIZUHZIPNUBRF-MJGOQNOKSA-N 0 0 401.279 4.429 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000434249619 860228629 /nfs/dbraw/zinc/22/86/29/860228629.db2.gz NDZFFLDAKHRVQV-NRFANRHFSA-N 0 0 420.944 4.447 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000434293433 860258060 /nfs/dbraw/zinc/25/80/60/860258060.db2.gz FCUOHVLCNWJPHZ-FQEVSTJZSA-N 0 0 401.576 4.171 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)N3CCC(F)(c4ccccc4)CC3)CC2)nc1 ZINC000434296076 860260119 /nfs/dbraw/zinc/26/01/19/860260119.db2.gz MZBUJWBZIKYOBD-UHFFFAOYSA-N 0 0 422.504 4.314 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000434301103 860264028 /nfs/dbraw/zinc/26/40/28/860264028.db2.gz PDNRULVAPMSNAE-QFBILLFUSA-N 0 0 420.456 4.485 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434322176 860281937 /nfs/dbraw/zinc/28/19/37/860281937.db2.gz BMYOPDOOPOGPAX-DNVCBOLYSA-N 0 0 404.388 4.126 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n(C2CCOCC2)n1 ZINC000434325517 860286644 /nfs/dbraw/zinc/28/66/44/860286644.db2.gz QLUHYNNCOWTKJY-UHFFFAOYSA-N 0 0 416.481 4.246 20 30 HIEDRN CCc1n[nH]c(=O)c(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1CC ZINC000434354819 860307845 /nfs/dbraw/zinc/30/78/45/860307845.db2.gz KPSUENIJNKHSLP-UHFFFAOYSA-N 0 0 420.444 4.040 20 30 HIEDRN C[C@@H](NC(=O)N(C)CCN1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434375531 860321349 /nfs/dbraw/zinc/32/13/49/860321349.db2.gz XOSSKJLUHYFDPY-LJQANCHMSA-N 0 0 420.557 4.038 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434411343 860338927 /nfs/dbraw/zinc/33/89/27/860338927.db2.gz IVXIQHGXHVURDJ-LJQANCHMSA-N 0 0 415.459 4.273 20 30 HIEDRN CN(Cc1cc(Cl)ccc1F)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000434431851 860348196 /nfs/dbraw/zinc/34/81/96/860348196.db2.gz GOJDVTBZCZVSOM-UHFFFAOYSA-N 0 0 416.884 4.277 20 30 HIEDRN Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000434466849 860361905 /nfs/dbraw/zinc/36/19/05/860361905.db2.gz GTWUXLIAQZUEGO-UHFFFAOYSA-N 0 0 402.479 4.245 20 30 HIEDRN CCCNc1ccc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000434575068 860410338 /nfs/dbraw/zinc/41/03/38/860410338.db2.gz PPOFFAKCLKRJIF-MRXNPFEDSA-N 0 0 410.543 4.015 20 30 HIEDRN CCCNc1ccc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000434575067 860410464 /nfs/dbraw/zinc/41/04/64/860410464.db2.gz PPOFFAKCLKRJIF-INIZCTEOSA-N 0 0 410.543 4.015 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000434588166 860414440 /nfs/dbraw/zinc/41/44/40/860414440.db2.gz PAAGKHJDVHIPKI-UHFFFAOYSA-N 0 0 417.509 4.223 20 30 HIEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnc1N1CCCC[C@@H]1C ZINC000434616384 860431252 /nfs/dbraw/zinc/43/12/52/860431252.db2.gz HYKQFOZTEIFKSA-KRWDZBQOSA-N 0 0 419.529 4.147 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000434653950 860447210 /nfs/dbraw/zinc/44/72/10/860447210.db2.gz CUKCFQMZVZKMNV-LLVKDONJSA-N 0 0 407.301 4.237 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Sc2ncnc3sc4c(c32)CCCC4)C1=O ZINC000434793641 860496769 /nfs/dbraw/zinc/49/67/69/860496769.db2.gz LLUCNUDPZKPYKX-CQSZACIVSA-N 0 0 412.565 4.401 20 30 HIEDRN Cc1cc2nnc(S[C@@H]3CCN(c4sccc4C#N)C3=O)n2c2ccccc12 ZINC000434796262 860497532 /nfs/dbraw/zinc/49/75/32/860497532.db2.gz SYXZVWYQQDCQDE-MRXNPFEDSA-N 0 0 405.508 4.022 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Sc2nnc(CCC3CCCCC3)o2)C1=O ZINC000434803151 860500194 /nfs/dbraw/zinc/50/01/94/860500194.db2.gz ORAPUUYJIFJUSP-HNNXBMFYSA-N 0 0 402.545 4.413 20 30 HIEDRN COC(=O)[C@@H](NC[C@@H](C)Sc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000434857692 860525463 /nfs/dbraw/zinc/52/54/63/860525463.db2.gz JEWPZLNLDXVSJR-ACJLOTCBSA-N 0 0 419.344 4.305 20 30 HIEDRN COC(=O)[C@H](N[C@H](C)CCc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000434860657 860526410 /nfs/dbraw/zinc/52/64/10/860526410.db2.gz HJROQWVNHUOOFY-AUUYWEPGSA-N 0 0 401.304 4.146 20 30 HIEDRN COc1ccc(C#N)cc1CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000434890011 860537560 /nfs/dbraw/zinc/53/75/60/860537560.db2.gz UCWUETZWKXHCQX-UHFFFAOYSA-N 0 0 407.495 4.004 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCC(OCC3CCCC3)CC2)cc1 ZINC000434902038 860546506 /nfs/dbraw/zinc/54/65/06/860546506.db2.gz GUOQWCMPHTXVLZ-UHFFFAOYSA-N 0 0 413.562 4.003 20 30 HIEDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000434926900 860557016 /nfs/dbraw/zinc/55/70/16/860557016.db2.gz PVAWFERSVKAIFH-XVSDVWIESA-N 0 0 412.921 4.220 20 30 HIEDRN Cc1cccc(C2(CNC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CCCCC2)c1 ZINC000434943917 860567079 /nfs/dbraw/zinc/56/70/79/860567079.db2.gz RVYSUKBOQVVLAC-UHFFFAOYSA-N 0 0 420.557 4.380 20 30 HIEDRN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000434978729 860584016 /nfs/dbraw/zinc/58/40/16/860584016.db2.gz XGAPPZSGFFLBOF-SFHVURJKSA-N 0 0 403.482 4.247 20 30 HIEDRN CCOc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC(F)F ZINC000434981293 860585338 /nfs/dbraw/zinc/58/53/38/860585338.db2.gz JFPVKTRGZXAXJQ-LJQANCHMSA-N 0 0 401.457 4.069 20 30 HIEDRN N#CCCn1cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000434984221 860586363 /nfs/dbraw/zinc/58/63/63/860586363.db2.gz ZRDRTOQKYHRYGW-NRFANRHFSA-N 0 0 407.905 4.086 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000435017402 860599475 /nfs/dbraw/zinc/59/94/75/860599475.db2.gz RHBXILPSNARHDE-LLVKDONJSA-N 0 0 409.964 4.136 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3cc(F)c(I)c(F)c3)CC2)c1 ZINC000435029635 860606625 /nfs/dbraw/zinc/60/66/25/860606625.db2.gz WPTYFNCELYKPLN-UHFFFAOYSA-N 0 0 424.188 4.111 20 30 HIEDRN N#Cc1cccc(C2(C(=O)NCc3cc(Br)ccc3OC(F)F)CC2)c1 ZINC000435030826 860607866 /nfs/dbraw/zinc/60/78/66/860607866.db2.gz VXSSYGQQQSGXAE-UHFFFAOYSA-N 0 0 421.241 4.270 20 30 HIEDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435043691 860613191 /nfs/dbraw/zinc/61/31/91/860613191.db2.gz CEIJAHNVROMMBN-GJZGRUSLSA-N 0 0 414.937 4.357 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)CC2)c1 ZINC000435053407 860617147 /nfs/dbraw/zinc/61/71/47/860617147.db2.gz QEZGLOPGMDBNBD-UHFFFAOYSA-N 0 0 403.869 4.092 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CC[C@@H](Oc3ccncc3)C2)cc1OC ZINC000435060106 860621662 /nfs/dbraw/zinc/62/16/62/860621662.db2.gz YACOTHQSNUYECY-QGZVFWFLSA-N 0 0 419.319 4.071 20 30 HIEDRN CCCCn1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1C ZINC000435061319 860621951 /nfs/dbraw/zinc/62/19/51/860621951.db2.gz PDBXUGOGDLCGNY-UHFFFAOYSA-N 0 0 401.470 4.368 20 30 HIEDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435062948 860623461 /nfs/dbraw/zinc/62/34/61/860623461.db2.gz GXIBQGHLDFXEAE-KRWDZBQOSA-N 0 0 404.514 4.341 20 30 HIEDRN Cc1cc(S(C)(=O)=O)cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000435068754 860627426 /nfs/dbraw/zinc/62/74/26/860627426.db2.gz WPSJDXOXOHLUME-FPOVZHCZSA-N 0 0 411.527 4.011 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1nc2c(s1)C[C@H](CC)CC2)c1ccc(F)c(F)c1 ZINC000435094285 860639131 /nfs/dbraw/zinc/63/91/31/860639131.db2.gz AZFNTSUFWSBVKY-KZULUSFZSA-N 0 0 419.497 4.308 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 ZINC000435113514 860647544 /nfs/dbraw/zinc/64/75/44/860647544.db2.gz KWMXLAIIIHJNEM-NHCUHLMSSA-N 0 0 406.530 4.458 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 ZINC000435113516 860647753 /nfs/dbraw/zinc/64/77/53/860647753.db2.gz KWMXLAIIIHJNEM-SFTDATJTSA-N 0 0 406.530 4.458 20 30 HIEDRN C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1)c1ccccc1 ZINC000435123756 860651617 /nfs/dbraw/zinc/65/16/17/860651617.db2.gz IUPHBRQEXVHYRB-NRFANRHFSA-N 0 0 400.544 4.154 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000435136442 860658288 /nfs/dbraw/zinc/65/82/88/860658288.db2.gz BZKLGMQRFNUGIZ-LJQANCHMSA-N 0 0 424.501 4.436 20 30 HIEDRN CN(Cc1csc(Br)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435135701 860658571 /nfs/dbraw/zinc/65/85/71/860658571.db2.gz UDMBFMFVMYLKQM-UHFFFAOYSA-N 0 0 416.348 4.315 20 30 HIEDRN N#CCCn1cc(CN(Cc2ccco2)Cc2ccc(O)cc2)c(-c2ccncc2)n1 ZINC000435138447 860660220 /nfs/dbraw/zinc/66/02/20/860660220.db2.gz RWVDUXAUDUQQSB-UHFFFAOYSA-N 0 0 413.481 4.360 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 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CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCC(CO)CC1 ZINC000435667596 860947097 /nfs/dbraw/zinc/94/70/97/860947097.db2.gz NDKFZBARAAMXCX-UHFFFAOYSA-N 0 0 407.514 4.346 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccccc1 ZINC000435732302 861015268 /nfs/dbraw/zinc/01/52/68/861015268.db2.gz PPNPKNKGCWLWRB-LJQANCHMSA-N 0 0 408.889 4.288 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000435734658 861016796 /nfs/dbraw/zinc/01/67/96/861016796.db2.gz GXNOEPKSBGDISK-YADHBBJMSA-N 0 0 408.498 4.007 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnc(CC)o2)c1)c1ccccc1 ZINC000435743004 861023530 /nfs/dbraw/zinc/02/35/30/861023530.db2.gz XUQCVABDGARRDS-IBGZPJMESA-N 0 0 404.470 4.061 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000435755917 861035022 /nfs/dbraw/zinc/03/50/22/861035022.db2.gz NPVVOVIMYLGDEY-DYESRHJHSA-N 0 0 415.559 4.005 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O)c1ccccc1 ZINC000435757387 861036298 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CCCc1c(NC(=O)c2csc([C@H]3CCCO3)n2)cnn1-c1cccc(C#N)c1 ZINC000440089867 865352230 /nfs/dbraw/zinc/35/22/30/865352230.db2.gz SUKPMOSHPXTDPD-LJQANCHMSA-N 0 0 407.499 4.257 20 30 HIEDRN CCCc1c(NC(=O)CCc2nc(C3CCCC3)no2)cnn1-c1cccc(C#N)c1 ZINC000440093685 865355373 /nfs/dbraw/zinc/35/53/73/865355373.db2.gz UDBHGJDXVNMYDT-UHFFFAOYSA-N 0 0 418.501 4.308 20 30 HIEDRN CCCc1c(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)cnn1-c1cccc(C#N)c1 ZINC000440100445 865358571 /nfs/dbraw/zinc/35/85/71/865358571.db2.gz LHFSJTOGEBZDGB-HSZRJFAPSA-N 0 0 400.482 4.256 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000440102922 865361033 /nfs/dbraw/zinc/36/10/33/865361033.db2.gz JOBVBACOHDHJNZ-ZBFHGGJFSA-N 0 0 415.415 4.310 20 30 HIEDRN N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000440122515 865370586 /nfs/dbraw/zinc/37/05/86/865370586.db2.gz YCOXZIVROYMELE-UHFFFAOYSA-N 0 0 419.868 4.301 20 30 HIEDRN C[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000440124052 865370625 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CCC(CC)c1cc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)on1 ZINC000446640398 870549461 /nfs/dbraw/zinc/54/94/61/870549461.db2.gz WUAMDCPIFMXNDD-UHFFFAOYSA-N 0 0 411.506 4.034 20 30 HIEDRN COc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1F ZINC000446671854 870585101 /nfs/dbraw/zinc/58/51/01/870585101.db2.gz LFQXADTWCIKHOT-UHFFFAOYSA-N 0 0 405.385 4.075 20 30 HIEDRN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1(C#N)CCC1 ZINC000468475336 882435236 /nfs/dbraw/zinc/43/52/36/882435236.db2.gz NWCPIYAJSLJKQK-INIZCTEOSA-N 0 0 415.522 4.249 20 30 HIEDRN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)c(O)c3)C2)n1 ZINC000446790880 870709654 /nfs/dbraw/zinc/70/96/54/870709654.db2.gz DCYFDRVFXQIJQK-QGZVFWFLSA-N 0 0 419.506 4.416 20 30 HIEDRN N#Cc1cccc(COc2cccc(CNCc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)c1 ZINC000446832109 870747697 /nfs/dbraw/zinc/74/76/97/870747697.db2.gz MBHDLEVWBWBEDM-UHFFFAOYSA-N 0 0 413.437 4.212 20 30 HIEDRN COc1ccccc1CN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000446843145 870761317 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Cc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000446893768 870812744 /nfs/dbraw/zinc/81/27/44/870812744.db2.gz IGDUUDHRYITVOB-UHFFFAOYSA-N 0 0 414.303 4.005 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000446916875 870832683 /nfs/dbraw/zinc/83/26/83/870832683.db2.gz RXLGJOMTBRTHRA-MRXNPFEDSA-N 0 0 413.518 4.453 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1F ZINC000446923701 870837952 /nfs/dbraw/zinc/83/79/52/870837952.db2.gz XCVLZTMXYSPCMX-NRFANRHFSA-N 0 0 416.456 4.277 20 30 HIEDRN CC(C)(NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cn(-c2ccccc2)nn1 ZINC000447064257 870944767 /nfs/dbraw/zinc/94/47/67/870944767.db2.gz VQEOHIWHCXKREZ-UHFFFAOYSA-N 0 0 422.492 4.119 20 30 HIEDRN CC(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000447215715 871102379 /nfs/dbraw/zinc/10/23/79/871102379.db2.gz DBXVLANRSUCXHR-YLJYHZDGSA-N 0 0 409.917 4.438 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000447226878 871112521 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HIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000460948834 873846807 /nfs/dbraw/zinc/84/68/07/873846807.db2.gz AGQBFTDLVUOWEO-OAQYLSRUSA-N 0 0 420.561 4.459 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000460949722 873849020 /nfs/dbraw/zinc/84/90/20/873849020.db2.gz NMJAWFGXIQGRTK-FFZOFVMBSA-N 0 0 400.498 4.281 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2cc(C)c(C)cc21 ZINC000460951258 873849729 /nfs/dbraw/zinc/84/97/29/873849729.db2.gz JPSISPFCQXNCEK-UHFFFAOYSA-N 0 0 407.543 4.157 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CCSCC ZINC000460952247 873850566 /nfs/dbraw/zinc/85/05/66/873850566.db2.gz OKMAVVIWWLUYPN-HNNXBMFYSA-N 0 0 412.563 4.138 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000460954761 873852768 /nfs/dbraw/zinc/85/27/68/873852768.db2.gz WJAMIEABLZVBCK-UHFFFAOYSA-N 0 0 420.904 4.121 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC000460956411 873853628 /nfs/dbraw/zinc/85/36/28/873853628.db2.gz HTMMXVKIULQFMA-CBPXPLCBSA-N 0 0 408.546 4.247 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC000460957168 873854142 /nfs/dbraw/zinc/85/41/42/873854142.db2.gz KCWLMHPOPULTJZ-UHFFFAOYSA-N 0 0 422.529 4.353 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](OC)C[C@H]1C ZINC000460957569 873855285 /nfs/dbraw/zinc/85/52/85/873855285.db2.gz LELGIDDVIOGPDE-IAGOWNOFSA-N 0 0 402.564 4.159 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C ZINC000460958638 873856376 /nfs/dbraw/zinc/85/63/76/873856376.db2.gz LERXHBXRZIRAJG-OALUTQOASA-N 0 0 414.550 4.178 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460960341 873857401 /nfs/dbraw/zinc/85/74/01/873857401.db2.gz SHNHHAJDCLPWCE-UHFFFAOYSA-N 0 0 415.541 4.278 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCS[C@H](C)[C@H]1C ZINC000460961388 873858232 /nfs/dbraw/zinc/85/82/32/873858232.db2.gz VJQHAQQNKZHQMW-HZPDHXFCSA-N 0 0 404.605 4.485 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000460962305 873859140 /nfs/dbraw/zinc/85/91/40/873859140.db2.gz YCIYEFHGYKSSAY-KKSFZXQISA-N 0 0 422.932 4.307 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000460963910 873860459 /nfs/dbraw/zinc/86/04/59/873860459.db2.gz PVBFEROKMSMRKN-IRXDYDNUSA-N 0 0 402.564 4.162 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(CCOC)Cc1ccc(C)o1 ZINC000460963026 873860553 /nfs/dbraw/zinc/86/05/53/873860553.db2.gz MYOWQIJVDICCDC-UHFFFAOYSA-N 0 0 419.529 4.412 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000460964660 873861906 /nfs/dbraw/zinc/86/19/06/873861906.db2.gz VNNYTSBKLZKULT-UHFFFAOYSA-N 0 0 407.474 4.117 20 30 HIEDRN CCC(CC)(CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000460991020 873876762 /nfs/dbraw/zinc/87/67/62/873876762.db2.gz JHMVAKDNPHHOEB-UHFFFAOYSA-N 0 0 409.530 4.475 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1Cc1cccs1 ZINC000461013903 873884848 /nfs/dbraw/zinc/88/48/48/873884848.db2.gz IJVLFVJMVXZLGX-HXUWFJFHSA-N 0 0 405.527 4.304 20 30 HIEDRN CCc1ccc(-c2nc(CC(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)cs2)cc1 ZINC000468637474 882769994 /nfs/dbraw/zinc/76/99/94/882769994.db2.gz IQTROONFNXXAKL-OFNKIYASSA-N 0 0 409.555 4.369 20 30 HIEDRN N#C[C@H]1N(C(=O)CCCOc2cccc(Br)c2)CCC[C@@]12CCCCO2 ZINC000468637575 882770829 /nfs/dbraw/zinc/77/08/29/882770829.db2.gz JPNLREPRSHMZPP-QUCCMNQESA-N 0 0 421.335 4.062 20 30 HIEDRN Cc1ccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@@H]2CCCO2)o1 ZINC000461043400 873906512 /nfs/dbraw/zinc/90/65/12/873906512.db2.gz CLRJJHAFYBMRPW-FQEVSTJZSA-N 0 0 403.486 4.066 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2cccc(C(F)(F)F)c2)n1C[C@@H]1CCCO1 ZINC000461048917 873918901 /nfs/dbraw/zinc/91/89/01/873918901.db2.gz VRZZJPKITMMNHF-SFHVURJKSA-N 0 0 419.451 4.273 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461059772 873936455 /nfs/dbraw/zinc/93/64/55/873936455.db2.gz OUWRBMHLATXYJM-ZTFGCOKTSA-N 0 0 419.451 4.163 20 30 HIEDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000468643898 882778108 /nfs/dbraw/zinc/77/81/08/882778108.db2.gz VICUMIVZGZVTPT-VFNWGFHPSA-N 0 0 403.548 4.109 20 30 HIEDRN COc1ccc(-c2nnc(SCc3ccc(F)c(C#N)c3)n2C[C@@H]2CCCO2)cc1 ZINC000468645437 882780186 /nfs/dbraw/zinc/78/01/86/882780186.db2.gz OGLZCNOCOXZDFS-IBGZPJMESA-N 0 0 424.501 4.436 20 30 HIEDRN COc1ccc(SC)c(OC)c1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000461078309 873981507 /nfs/dbraw/zinc/98/15/07/873981507.db2.gz AIRWGHXIPHATKT-ZDUSSCGKSA-N 0 0 421.316 4.183 20 30 HIEDRN COc1ccc(Br)cc1CC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000461097138 874014335 /nfs/dbraw/zinc/01/43/35/874014335.db2.gz XECUGEKHCAHMPK-HXUWFJFHSA-N 0 0 401.304 4.031 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCSc2ccccc2Br)CCC[C@@]12CCCCO2 ZINC000468647755 882784573 /nfs/dbraw/zinc/78/45/73/882784573.db2.gz LJDRAUKHYOOQAQ-HKUYNNGSSA-N 0 0 423.376 4.385 20 30 HIEDRN Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000461103202 874023449 /nfs/dbraw/zinc/02/34/49/874023449.db2.gz YIYYZAFHKJXFFY-SFHVURJKSA-N 0 0 404.445 4.060 20 30 HIEDRN Cc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461133723 874071440 /nfs/dbraw/zinc/07/14/40/874071440.db2.gz ULLZQCRXUOPCBF-AUSIDOKSSA-N 0 0 415.541 4.372 20 30 HIEDRN Cc1ccccc1C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461139988 874081211 /nfs/dbraw/zinc/08/12/11/874081211.db2.gz JBPKNZRTOYSRKB-WMZHIEFXSA-N 0 0 415.541 4.372 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@@H]2CCCO2)cc1 ZINC000461142377 874084733 /nfs/dbraw/zinc/08/47/33/874084733.db2.gz LPWYAISOGGMQGC-NRFANRHFSA-N 0 0 419.916 4.212 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCCO1 ZINC000461142834 874086686 /nfs/dbraw/zinc/08/66/86/874086686.db2.gz CXDQECSEDOLHSX-HXUWFJFHSA-N 0 0 418.545 4.438 20 30 HIEDRN CCN(Cc1cccc(F)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461150822 874098298 /nfs/dbraw/zinc/09/82/98/874098298.db2.gz FFKHYGVTSUUTIN-NRFANRHFSA-N 0 0 405.477 4.161 20 30 HIEDRN C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCO1)C1CC1 ZINC000461155037 874107648 /nfs/dbraw/zinc/10/76/48/874107648.db2.gz MEPXQQQIMIHYTO-HNAYVOBHSA-N 0 0 402.926 4.405 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CCC[C@@]12CCCCO2 ZINC000468657957 882794075 /nfs/dbraw/zinc/79/40/75/882794075.db2.gz FJRGONUXHGNPQU-XLIONFOSSA-N 0 0 403.454 4.156 20 30 HIEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000468661160 882796955 /nfs/dbraw/zinc/79/69/55/882796955.db2.gz PAOGQMOPUMXZFS-DYESRHJHSA-N 0 0 417.481 4.464 20 30 HIEDRN CC1(C)[C@@H]2CN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000461171102 874140835 /nfs/dbraw/zinc/14/08/35/874140835.db2.gz PQKIEIWBLRENCK-KDURUIRLSA-N 0 0 405.523 4.017 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc([C@H]2Cc3ccccc3O2)n1C[C@@H]1CCCO1 ZINC000461172952 874145686 /nfs/dbraw/zinc/14/56/86/874145686.db2.gz YNJNPTDAGSWWNQ-JTHBVZDNSA-N 0 0 416.525 4.326 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2ccc(Br)c(Cl)c2F)CCC[C@@]12CCCCO2 ZINC000468669740 882801449 /nfs/dbraw/zinc/80/14/49/882801449.db2.gz SRBIBGGLJCGSNJ-GUYCJALGSA-N 0 0 415.690 4.309 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461211417 874213776 /nfs/dbraw/zinc/21/37/76/874213776.db2.gz MRXXGQAVCYYDLE-UHFFFAOYSA-N 0 0 418.415 4.203 20 30 HIEDRN NC(=O)c1ccc(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1F ZINC000461213644 874216105 /nfs/dbraw/zinc/21/61/05/874216105.db2.gz VUWUJCFGUDXLOB-HNNXBMFYSA-N 0 0 410.289 4.409 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)n1 ZINC000468680911 882808020 /nfs/dbraw/zinc/80/80/20/882808020.db2.gz QFTYKVRQLGBGTC-GFCCVEGCSA-N 0 0 408.483 4.047 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCCO2)cc1 ZINC000461250039 874252780 /nfs/dbraw/zinc/25/27/80/874252780.db2.gz VCZXLQNDUPJOGX-GOSISDBHSA-N 0 0 419.451 4.165 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCCO2)cc1 ZINC000461250040 874253210 /nfs/dbraw/zinc/25/32/10/874253210.db2.gz VCZXLQNDUPJOGX-SFHVURJKSA-N 0 0 419.451 4.165 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000461251749 874256473 /nfs/dbraw/zinc/25/64/73/874256473.db2.gz UVAZNRXPAPFZEV-GDBMZVCRSA-N 0 0 405.955 4.141 20 30 HIEDRN CO[C@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cccc21 ZINC000468683513 882809575 /nfs/dbraw/zinc/80/95/75/882809575.db2.gz GHGIUXVREALONK-FQEVSTJZSA-N 0 0 401.422 4.468 20 30 HIEDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461281092 874287325 /nfs/dbraw/zinc/28/73/25/874287325.db2.gz HIFWUJYFHUJDMG-GFCCVEGCSA-N 0 0 400.269 4.263 20 30 HIEDRN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000461291243 874295912 /nfs/dbraw/zinc/29/59/12/874295912.db2.gz GLWPDAHMVKOFDZ-UHFFFAOYSA-N 0 0 422.876 4.029 20 30 HIEDRN Cc1cc(Br)cc2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)oc21 ZINC000461291213 874296402 /nfs/dbraw/zinc/29/64/02/874296402.db2.gz RXWDTDACLQIFTI-UHFFFAOYSA-N 0 0 422.242 4.208 20 30 HIEDRN C[C@@H]1C[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C(=O)N1c1ccccc1 ZINC000461299967 874304984 /nfs/dbraw/zinc/30/49/84/874304984.db2.gz IIWYJXHOYMXDPP-HXOBKFHXSA-N 0 0 410.477 4.226 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cn1 ZINC000461317789 874326350 /nfs/dbraw/zinc/32/63/50/874326350.db2.gz KBSALZBQJKNGJM-UHFFFAOYSA-N 0 0 424.395 4.339 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cn1 ZINC000461319391 874328055 /nfs/dbraw/zinc/32/80/55/874328055.db2.gz VOONABJZRPPKCR-UHFFFAOYSA-N 0 0 422.659 4.117 20 30 HIEDRN Cc1cccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)n1 ZINC000461323250 874333363 /nfs/dbraw/zinc/33/33/63/874333363.db2.gz ZWMILGYOOYSMJI-UHFFFAOYSA-N 0 0 400.511 4.266 20 30 HIEDRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461326115 874336023 /nfs/dbraw/zinc/33/60/23/874336023.db2.gz XFGJCEMGLFMECD-UHFFFAOYSA-N 0 0 420.885 4.477 20 30 HIEDRN COc1cccc(-c2ccc(CNC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)c1 ZINC000461333483 874344710 /nfs/dbraw/zinc/34/47/10/874344710.db2.gz NBRAWBRZYQBNBG-UHFFFAOYSA-N 0 0 419.868 4.142 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCOC3(CCCCC3)C2)cc1C ZINC000461342279 874352519 /nfs/dbraw/zinc/35/25/19/874352519.db2.gz WSUDZFXQBJAZFV-UHFFFAOYSA-N 0 0 406.530 4.256 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3cccs3)C3CC3)n2C[C@H]2CCOC2)c1 ZINC000461379857 874385419 /nfs/dbraw/zinc/38/54/19/874385419.db2.gz MINYIUVZPVLWTE-QGZVFWFLSA-N 0 0 405.527 4.084 20 30 HIEDRN CC(C)OCc1nc([C@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)no1 ZINC000461405940 874420372 /nfs/dbraw/zinc/42/03/72/874420372.db2.gz JVNDSWYQOLYDTG-HNNXBMFYSA-N 0 0 405.458 4.101 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@@H]3CCCN(CC(C)(C)C)C3=O)o2)cc1 ZINC000461409837 874426505 /nfs/dbraw/zinc/42/65/05/874426505.db2.gz RTWQWUCEUSHGIC-QGZVFWFLSA-N 0 0 401.532 4.431 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000461429954 874470627 /nfs/dbraw/zinc/47/06/27/874470627.db2.gz PQJHTCLTMHEKRV-UHFFFAOYSA-N 0 0 412.280 4.642 20 30 HIEDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccc(Cl)cc1 ZINC000461432780 874479865 /nfs/dbraw/zinc/47/98/65/874479865.db2.gz VROADZHXZRLBBD-GBLZOACLSA-N 0 0 405.889 4.107 20 30 HIEDRN COc1ccc(OC)c(CN2CCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)c1 ZINC000461442915 874498868 /nfs/dbraw/zinc/49/88/68/874498868.db2.gz MHXPTQZZVFUXMX-UHFFFAOYSA-N 0 0 416.525 4.063 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000468737437 882835587 /nfs/dbraw/zinc/83/55/87/882835587.db2.gz ISHKEZBHFMLDRB-FGZHOGPDSA-N 0 0 401.514 4.151 20 30 HIEDRN C[C@@H]1CCC[C@H](CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000461461926 874521172 /nfs/dbraw/zinc/52/11/72/874521172.db2.gz HBSMTZJKGFUOLY-FUHIMQAGSA-N 0 0 418.379 4.374 20 30 HIEDRN Cc1cc(C)c2ncc(C#N)c(NCC(=O)Nc3ccc(Br)cc3C)c2c1 ZINC000461460935 874521182 /nfs/dbraw/zinc/52/11/82/874521182.db2.gz QKMUSFNDBJKOQV-UHFFFAOYSA-N 0 0 423.314 4.267 20 30 HIEDRN 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CC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000461808552 874923054 /nfs/dbraw/zinc/92/30/54/874923054.db2.gz NAIKAJUWEZSFPH-ZNIKRAEXSA-N 0 0 423.561 4.313 20 30 HIEDRN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCCO2)c2ccccc2n1 ZINC000461808573 874923068 /nfs/dbraw/zinc/92/30/68/874923068.db2.gz NCNZVYXTNRAMPR-ROUUACIJSA-N 0 0 404.518 4.109 20 30 HIEDRN CC[C@@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461813122 874930736 /nfs/dbraw/zinc/93/07/36/874930736.db2.gz VYOMDZGGLRAGHY-TZIWHRDSSA-N 0 0 409.534 4.067 20 30 HIEDRN COc1ccccc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@H]1CCCCO1 ZINC000461822391 874947197 /nfs/dbraw/zinc/94/71/97/874947197.db2.gz AESILBIBZVPRGC-LJQANCHMSA-N 0 0 411.550 4.289 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@H]1CCCCO1 ZINC000461831677 874961978 /nfs/dbraw/zinc/96/19/78/874961978.db2.gz ICCCUKYNWMLRBN-JOCHJYFZSA-N 0 0 419.529 4.110 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCO1 ZINC000461831679 874962181 /nfs/dbraw/zinc/96/21/81/874962181.db2.gz ICCCUKYNWMLRBN-QFIPXVFZSA-N 0 0 419.529 4.110 20 30 HIEDRN CCCN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461831475 874962203 /nfs/dbraw/zinc/96/22/03/874962203.db2.gz MEELACDGEIGWRS-VXKWHMMOSA-N 0 0 423.561 4.171 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc([C@@H]2OCC[C@@H]2C)n1C[C@@H]1CCCCO1 ZINC000461841307 874979987 /nfs/dbraw/zinc/97/99/87/874979987.db2.gz DFKXBCPWFPLMSK-HFSMHLIXSA-N 0 0 414.525 4.276 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@H](c3ccc(F)cc3)c3cnccn3)ccc21 ZINC000468835796 882882977 /nfs/dbraw/zinc/88/29/77/882882977.db2.gz CSHHZUPYDFAAPZ-XMMPIXPASA-N 0 0 415.472 4.400 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCCO1)C1CC1 ZINC000461846962 874987967 /nfs/dbraw/zinc/98/79/67/874987967.db2.gz CBXWSGXIBUSFEU-QGZVFWFLSA-N 0 0 402.926 4.331 20 30 HIEDRN C=C(C)CN(CC)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)n1C[C@@H]1CCCCO1 ZINC000461853451 874997548 /nfs/dbraw/zinc/99/75/48/874997548.db2.gz PWOZGHORJJTUPT-FDFHNCONSA-N 0 0 410.562 4.495 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCO1 ZINC000461857775 875004423 /nfs/dbraw/zinc/00/44/23/875004423.db2.gz VVIOVZBEQCGAQN-IBGZPJMESA-N 0 0 409.559 4.087 20 30 HIEDRN Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCCO2)c1C ZINC000461862804 875012995 /nfs/dbraw/zinc/01/29/95/875012995.db2.gz HSGKEPGQAGPAPS-RLLQIKCJSA-N 0 0 411.550 4.342 20 30 HIEDRN C[C@H](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)Cc1cccc(F)c1 ZINC000468847628 882887983 /nfs/dbraw/zinc/88/79/83/882887983.db2.gz DPRHRSCAEDEHMB-KRWDZBQOSA-N 0 0 407.489 4.143 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCN3CC(F)(F)F)c2)c1 ZINC000461911187 875053465 /nfs/dbraw/zinc/05/34/65/875053465.db2.gz BREQTTFAKLTWAC-LJQANCHMSA-N 0 0 403.404 4.102 20 30 HIEDRN C[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(C#N)c1 ZINC000461913553 875054977 /nfs/dbraw/zinc/05/49/77/875054977.db2.gz BJBHDGHEESESSR-WBVHZDCISA-N 0 0 412.331 4.067 20 30 HIEDRN CO[C@](C)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1 ZINC000461914335 875057106 /nfs/dbraw/zinc/05/71/06/875057106.db2.gz JQYBBJWYKGNNLG-SFHVURJKSA-N 0 0 409.433 4.378 20 30 HIEDRN C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)ccn2)C1 ZINC000461922262 875062681 /nfs/dbraw/zinc/06/26/81/875062681.db2.gz YYFKHYXQTBQPFC-CQSZACIVSA-N 0 0 418.419 4.383 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000461941268 875075059 /nfs/dbraw/zinc/07/50/59/875075059.db2.gz NMZBGLLVPGWSDX-GUYCJALGSA-N 0 0 409.317 4.046 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000461941270 875075567 /nfs/dbraw/zinc/07/55/67/875075567.db2.gz NMZBGLLVPGWSDX-SUMWQHHRSA-N 0 0 409.317 4.046 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000461943975 875076505 /nfs/dbraw/zinc/07/65/05/875076505.db2.gz HZXJDQCDJWPWJR-RBUKOAKNSA-N 0 0 413.543 4.212 20 30 HIEDRN C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000461954603 875084168 /nfs/dbraw/zinc/08/41/68/875084168.db2.gz CZRXMIPNVDBUKC-RRMPHLOHSA-N 0 0 408.477 4.059 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@@H](CCO)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000461964836 875089972 /nfs/dbraw/zinc/08/99/72/875089972.db2.gz LKBIUYUMEHSZSI-MOPGFXCFSA-N 0 0 414.468 4.190 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)cc1 ZINC000461990987 875111420 /nfs/dbraw/zinc/11/14/20/875111420.db2.gz XOLMQPGJVFHHDV-UHFFFAOYSA-N 0 0 405.454 4.285 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000462003340 875125168 /nfs/dbraw/zinc/12/51/68/875125168.db2.gz AVMJDUOJQVHPMV-HXUWFJFHSA-N 0 0 402.502 4.665 20 30 HIEDRN N#C[C@@H](NC(=O)CN1CCOc2ccc(Cl)cc21)c1cccc(Cl)c1Cl ZINC000462013076 875131648 /nfs/dbraw/zinc/13/16/48/875131648.db2.gz JWPDOFCLSDTABB-CQSZACIVSA-N 0 0 410.688 4.227 20 30 HIEDRN CCCc1ccc([C@@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C(C)C)cc1 ZINC000462016467 875134418 /nfs/dbraw/zinc/13/44/18/875134418.db2.gz SUULYPMKVLUOLY-QFIPXVFZSA-N 0 0 416.529 4.919 20 30 HIEDRN C[C@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccc(C#N)c1 ZINC000462022969 875138963 /nfs/dbraw/zinc/13/89/63/875138963.db2.gz NMFBLSXYHAIONG-KXBFYZLASA-N 0 0 404.445 4.257 20 30 HIEDRN C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1cccc(C#N)c1 ZINC000462022968 875139589 /nfs/dbraw/zinc/13/95/89/875139589.db2.gz NMFBLSXYHAIONG-HNAYVOBHSA-N 0 0 404.445 4.257 20 30 HIEDRN CCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H](C)c1cc2ccccc2o1 ZINC000462026539 875142529 /nfs/dbraw/zinc/14/25/29/875142529.db2.gz NIXLUAJFDIKOEP-INIZCTEOSA-N 0 0 414.469 4.809 20 30 HIEDRN N#CCc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc1 ZINC000462060753 875173666 /nfs/dbraw/zinc/17/36/66/875173666.db2.gz UPCJSBZUCCDPSI-IBGZPJMESA-N 0 0 404.297 4.071 20 30 HIEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000462066558 875178934 /nfs/dbraw/zinc/17/89/34/875178934.db2.gz SYQQPLLNHBYADL-CTYIDZIISA-N 0 0 413.301 4.370 20 30 HIEDRN C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000462084645 875193648 /nfs/dbraw/zinc/19/36/48/875193648.db2.gz OUYDWZCTPGFDBP-INIZCTEOSA-N 0 0 409.453 4.084 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000462085807 875195105 /nfs/dbraw/zinc/19/51/05/875195105.db2.gz BSMSZEIWRNWGAV-LJQANCHMSA-N 0 0 402.433 4.036 20 30 HIEDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462088261 875198018 /nfs/dbraw/zinc/19/80/18/875198018.db2.gz MGXFBRDUXNABMK-GJZGRUSLSA-N 0 0 408.893 4.448 20 30 HIEDRN CC1(c2ccccc2)CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462090244 875200304 /nfs/dbraw/zinc/20/03/04/875200304.db2.gz DYZJYZATKSJTCE-UHFFFAOYSA-N 0 0 400.486 4.161 20 30 HIEDRN CC(C)c1ccc(C[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cc1 ZINC000462092701 875202749 /nfs/dbraw/zinc/20/27/49/875202749.db2.gz MWKATTNOEYIVCW-IBGZPJMESA-N 0 0 414.513 4.359 20 30 HIEDRN CN(Cc1c(Cl)cccc1Cl)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462093573 875203173 /nfs/dbraw/zinc/20/31/73/875203173.db2.gz SYPABARISJNCEO-UHFFFAOYSA-N 0 0 401.257 4.110 20 30 HIEDRN CC(C)Oc1ccc(CC[C@H](C)NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000462093320 875203263 /nfs/dbraw/zinc/20/32/63/875203263.db2.gz OXGORHJUYLOUQN-KRWDZBQOSA-N 0 0 418.501 4.069 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462095268 875203963 /nfs/dbraw/zinc/20/39/63/875203963.db2.gz YQRTXPLEMRWOGB-KBPBESRZSA-N 0 0 400.447 4.227 20 30 HIEDRN COc1ccc(-c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)cc1 ZINC000462094569 875204033 /nfs/dbraw/zinc/20/40/33/875204033.db2.gz VVVUZQFLYAQPQM-UHFFFAOYSA-N 0 0 424.464 4.136 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000462095169 875204549 /nfs/dbraw/zinc/20/45/49/875204549.db2.gz YAYUVDNMJVURFB-UHFFFAOYSA-N 0 0 420.476 4.681 20 30 HIEDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Cl)cc1 ZINC000462100340 875208122 /nfs/dbraw/zinc/20/81/22/875208122.db2.gz FNGWQULMNUGWIR-VMDGZTHMSA-N 0 0 406.877 4.311 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000462099711 875208340 /nfs/dbraw/zinc/20/83/40/875208340.db2.gz CVSSOLMRUYFCMC-NRFANRHFSA-N 0 0 414.513 4.891 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000462099017 875208511 /nfs/dbraw/zinc/20/85/11/875208511.db2.gz WCLWYKXWSWJNMJ-HXUWFJFHSA-N 0 0 400.486 4.597 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000462099655 875208844 /nfs/dbraw/zinc/20/88/44/875208844.db2.gz GNVFHSCCDZXJNR-HZPDHXFCSA-N 0 0 422.920 4.757 20 30 HIEDRN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000462100693 875210234 /nfs/dbraw/zinc/21/02/34/875210234.db2.gz HIZNQLGGRZRGSB-UHFFFAOYSA-N 0 0 408.321 4.252 20 30 HIEDRN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000462102650 875211084 /nfs/dbraw/zinc/21/10/84/875211084.db2.gz OTDFBBUBSIASNW-NRFANRHFSA-N 0 0 416.485 4.297 20 30 HIEDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462102724 875211289 /nfs/dbraw/zinc/21/12/89/875211289.db2.gz MKQBKOXSSCIUDO-OAQYLSRUSA-N 0 0 402.502 4.323 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cc(F)c(Br)cc3F)n2)c1 ZINC000462107656 875214294 /nfs/dbraw/zinc/21/42/94/875214294.db2.gz XYGSWNAPCPVUBK-UHFFFAOYSA-N 0 0 403.186 4.037 20 30 HIEDRN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462107568 875215013 /nfs/dbraw/zinc/21/50/13/875215013.db2.gz IACFQPPGYPTESR-FQEVSTJZSA-N 0 0 406.465 4.009 20 30 HIEDRN N#Cc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)nc2ccccc12 ZINC000462117992 875221880 /nfs/dbraw/zinc/22/18/80/875221880.db2.gz NFMDXOKJNBDTIQ-IBGZPJMESA-N 0 0 408.408 4.315 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)n2)c1 ZINC000462124262 875226140 /nfs/dbraw/zinc/22/61/40/875226140.db2.gz VBFMNQUHMUSCPY-UHFFFAOYSA-N 0 0 415.840 4.209 20 30 HIEDRN C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000462141693 875240225 /nfs/dbraw/zinc/24/02/25/875240225.db2.gz SMKPKPPOVVRPKW-ZDUSSCGKSA-N 0 0 405.267 4.149 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@]1(CC)OCCc2ccccc21 ZINC000462157515 875253362 /nfs/dbraw/zinc/25/33/62/875253362.db2.gz ORUADJWHAVIJBX-DEOSSOPVSA-N 0 0 410.562 4.430 20 30 HIEDRN COc1ccc(-c2noc(CNc3ccc(C#N)c(C(F)(F)F)c3)n2)c(OC)c1 ZINC000462181039 875280534 /nfs/dbraw/zinc/28/05/34/875280534.db2.gz IWVQDQGUOBWHPJ-UHFFFAOYSA-N 0 0 404.348 4.256 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000462182019 875283044 /nfs/dbraw/zinc/28/30/44/875283044.db2.gz RRGCVKZRTRRLEB-UHFFFAOYSA-N 0 0 413.403 4.430 20 30 HIEDRN C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccc(C#N)c1 ZINC000462185309 875287404 /nfs/dbraw/zinc/28/74/04/875287404.db2.gz IHKWNOBXZMYEHV-CYFREDJKSA-N 0 0 411.505 4.052 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462239316 875353953 /nfs/dbraw/zinc/35/39/53/875353953.db2.gz RWCHUPAPSIBXMZ-SFHVURJKSA-N 0 0 421.545 4.079 20 30 HIEDRN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc(C#N)c1 ZINC000462255839 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412.490 4.101 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000462272716 875399180 /nfs/dbraw/zinc/39/91/80/875399180.db2.gz PMDVMXJXMPZCQJ-NZQKXSOJSA-N 0 0 405.498 4.411 20 30 HIEDRN C[C@@H](C(=O)NCc1ccc(I)cc1Cl)c1cccc(C#N)c1 ZINC000462339316 875453966 /nfs/dbraw/zinc/45/39/66/875453966.db2.gz IHUUTKNFQVTFIG-LLVKDONJSA-N 0 0 424.669 4.236 20 30 HIEDRN COCc1nc(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 ZINC000462349753 875463737 /nfs/dbraw/zinc/46/37/37/875463737.db2.gz XAYIYMBDDRPSAI-UHFFFAOYSA-N 0 0 424.501 4.212 20 30 HIEDRN CCCOc1ccc(Br)cc1Cn1cc(C#N)c(=O)c2nc(C)ccc21 ZINC000462409003 875516735 /nfs/dbraw/zinc/51/67/35/875516735.db2.gz PHBOWBVOKYRMJE-UHFFFAOYSA-N 0 0 412.287 4.176 20 30 HIEDRN C=CCN(Cc1cccs1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462446683 875555113 /nfs/dbraw/zinc/55/51/13/875555113.db2.gz RMWSYHPJBABNIR-UHFFFAOYSA-N 0 0 407.300 4.340 20 30 HIEDRN C[C@@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000462470773 875579286 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/nfs/dbraw/zinc/62/83/85/876628385.db2.gz OVDIUYFAJXPGEG-NQIIRXRSSA-N 0 0 408.550 4.424 20 30 HIEDRN C=CCN(C(=O)N[C@@H]1CCCCC12CCCC2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000463545887 876628890 /nfs/dbraw/zinc/62/88/90/876628890.db2.gz OVDIUYFAJXPGEG-WIYYLYMNSA-N 0 0 408.550 4.424 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1C ZINC000463549328 876634108 /nfs/dbraw/zinc/63/41/08/876634108.db2.gz BIOSKLJDRGLNEB-NHCUHLMSSA-N 0 0 408.546 4.403 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N3CCc4cc(Br)ccc4C3)on2)c1 ZINC000468982363 883049377 /nfs/dbraw/zinc/04/93/77/883049377.db2.gz NKGHFGAFCYSVFB-UHFFFAOYSA-N 0 0 408.255 4.174 20 30 HIEDRN CN(CCOCC(F)(F)C(F)F)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000468983545 883050295 /nfs/dbraw/zinc/05/02/95/883050295.db2.gz OGPXAFMLCKBRHO-UHFFFAOYSA-N 0 0 424.744 4.146 20 30 HIEDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468987068 883053586 /nfs/dbraw/zinc/05/35/86/883053586.db2.gz NBNKBWRSQHMRQV-KRWDZBQOSA-N 0 0 420.900 4.431 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC000463582022 876681763 /nfs/dbraw/zinc/68/17/63/876681763.db2.gz HINPJUUKWVATAF-UHFFFAOYSA-N 0 0 422.403 4.113 20 30 HIEDRN C[C@H](C(=O)Nc1ccnn1Cc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000463584428 876685315 /nfs/dbraw/zinc/68/53/15/876685315.db2.gz XGLJOCYRNBXABR-AWEZNQCLSA-N 0 0 409.287 4.308 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC2CCN(C(C)=O)CC2)cc1 ZINC000463607973 876728589 /nfs/dbraw/zinc/72/85/89/876728589.db2.gz AFSRTYOGVWKKDH-UHFFFAOYSA-N 0 0 421.497 4.336 20 30 HIEDRN COc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1NC(C)=O ZINC000468991529 883058898 /nfs/dbraw/zinc/05/88/98/883058898.db2.gz LCLKTSOYXAPDGY-MRXNPFEDSA-N 0 0 420.513 4.410 20 30 HIEDRN C=CCc1cc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc(OC)c1OC ZINC000463633499 876752964 /nfs/dbraw/zinc/75/29/64/876752964.db2.gz FTKMCDIMOCYEME-UHFFFAOYSA-N 0 0 419.481 4.290 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC(c3ccccc3)CC2)cc1 ZINC000463646282 876765457 /nfs/dbraw/zinc/76/54/57/876765457.db2.gz ZNGDOQKJSOQQRA-AOMIVXANSA-N 0 0 419.550 4.372 20 30 HIEDRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000463650132 876770620 /nfs/dbraw/zinc/77/06/20/876770620.db2.gz OXRNQLLLXAWUQV-LBPRGKRZSA-N 0 0 407.358 4.204 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000463672783 876795748 /nfs/dbraw/zinc/79/57/48/876795748.db2.gz ALRUNVYTRUSUQN-UHFFFAOYSA-N 0 0 420.259 4.061 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000463677662 876800207 /nfs/dbraw/zinc/80/02/07/876800207.db2.gz HVSCLEVSJJUZQI-HXUWFJFHSA-N 0 0 420.490 4.036 20 30 HIEDRN C=Cc1ccc(CCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000463721128 876840435 /nfs/dbraw/zinc/84/04/35/876840435.db2.gz GXKFIOUOIYJDQF-UHFFFAOYSA-N 0 0 402.498 4.277 20 30 HIEDRN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000463722741 876841475 /nfs/dbraw/zinc/84/14/75/876841475.db2.gz QJJWXETUFDHBFT-KPZWWZAWSA-N 0 0 405.281 4.341 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)c1 ZINC000463722865 876841487 /nfs/dbraw/zinc/84/14/87/876841487.db2.gz CINIUTQXMIKTQX-ZWKOTPCHSA-N 0 0 400.400 4.149 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000463733215 876854233 /nfs/dbraw/zinc/85/42/33/876854233.db2.gz BWAUCDOJECAHKK-CABCVRRESA-N 0 0 412.490 4.147 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000463742082 876863737 /nfs/dbraw/zinc/86/37/37/876863737.db2.gz SWQMSMDWBRUMMA-CABCVRRESA-N 0 0 412.490 4.004 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](n4cccn4)C3)cc2Cl)c1 ZINC000463756870 876880317 /nfs/dbraw/zinc/88/03/17/876880317.db2.gz RBVGRIYKXFPKRT-LJQANCHMSA-N 0 0 421.888 4.466 20 30 HIEDRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469008362 883075650 /nfs/dbraw/zinc/07/56/50/883075650.db2.gz PVKZGZOZAZZUEA-MOPGFXCFSA-N 0 0 408.546 4.102 20 30 HIEDRN COc1ccc(-c2ncc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)s2)cc1 ZINC000463813676 876928014 /nfs/dbraw/zinc/92/80/14/876928014.db2.gz DBOFSSOPNALUDX-UHFFFAOYSA-N 0 0 401.451 4.128 20 30 HIEDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000463868208 876989354 /nfs/dbraw/zinc/98/93/54/876989354.db2.gz QLJOYUIXFRNIKH-KRWDZBQOSA-N 0 0 401.441 4.426 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000463891051 877012567 /nfs/dbraw/zinc/01/25/67/877012567.db2.gz HWRKOWMOFZBPGG-UHFFFAOYSA-N 0 0 411.889 4.219 20 30 HIEDRN Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000463914405 877035561 /nfs/dbraw/zinc/03/55/61/877035561.db2.gz GKJZZTLFGNKSDC-UHFFFAOYSA-N 0 0 409.449 4.185 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000463916759 877038353 /nfs/dbraw/zinc/03/83/53/877038353.db2.gz VNYLJVJYLDVREP-XMMPIXPASA-N 0 0 418.497 4.132 20 30 HIEDRN Cc1csc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1I ZINC000469022808 883090670 /nfs/dbraw/zinc/09/06/70/883090670.db2.gz RCSISIFCNYVWAC-LLVKDONJSA-N 0 0 416.671 4.309 20 30 HIEDRN COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463952002 877074180 /nfs/dbraw/zinc/07/41/80/877074180.db2.gz QJKOEOUEAXUVLA-UHFFFAOYSA-N 0 0 423.284 4.077 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000464045439 877186432 /nfs/dbraw/zinc/18/64/32/877186432.db2.gz OCBLOMAABXPSNV-UHFFFAOYSA-N 0 0 422.843 4.277 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c1C ZINC000464052748 877194885 /nfs/dbraw/zinc/19/48/85/877194885.db2.gz YNDPNJPNPNXOCG-GOSISDBHSA-N 0 0 419.916 4.479 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000464053199 877196824 /nfs/dbraw/zinc/19/68/24/877196824.db2.gz LRMVJPHQYKMKOW-UHFFFAOYSA-N 0 0 413.352 4.033 20 30 HIEDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1cc(C#N)ccc1F ZINC000464058087 877203200 /nfs/dbraw/zinc/20/32/00/877203200.db2.gz PXFVVFZIDUSURE-UHFFFAOYSA-N 0 0 414.893 4.253 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)c1 ZINC000464091955 877247456 /nfs/dbraw/zinc/24/74/56/877247456.db2.gz JRXYHLWOGMELRW-UHFFFAOYSA-N 0 0 402.281 4.210 20 30 HIEDRN O=C(NCCCCF)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000464114151 877268205 /nfs/dbraw/zinc/26/82/05/877268205.db2.gz KFTQBMZQZUAPBN-UHFFFAOYSA-N 0 0 420.350 4.164 20 30 HIEDRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000464132437 877290752 /nfs/dbraw/zinc/29/07/52/877290752.db2.gz KUBPPRGBFGHHTL-AWEZNQCLSA-N 0 0 400.862 4.321 20 30 HIEDRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000464133963 877292611 /nfs/dbraw/zinc/29/26/11/877292611.db2.gz VZQYFQPQYCUYCR-DJJJIMSYSA-N 0 0 419.308 4.259 20 30 HIEDRN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@](C)(C#N)C(C)(C)C)C2)c2ccccc12 ZINC000464162074 877328833 /nfs/dbraw/zinc/32/88/33/877328833.db2.gz KUNOIOGBNOKXQS-CRICUBBOSA-N 0 0 421.541 4.145 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2)c(C)c1Br ZINC000464162827 877330138 /nfs/dbraw/zinc/33/01/38/877330138.db2.gz DWITYZNWPYVPHC-LJQANCHMSA-N 0 0 403.324 4.310 20 30 HIEDRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000464168452 877335536 /nfs/dbraw/zinc/33/55/36/877335536.db2.gz LXFLGWQVIOCHFD-HXUWFJFHSA-N 0 0 420.435 4.135 20 30 HIEDRN C[C@H](c1nccs1)N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000464183981 877355635 /nfs/dbraw/zinc/35/56/35/877355635.db2.gz LLZZBZKFIYMVHI-QGZVFWFLSA-N 0 0 418.522 4.326 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000464204670 877375081 /nfs/dbraw/zinc/37/50/81/877375081.db2.gz IPUCGFULOHICAH-DOOKAGJSSA-N 0 0 402.541 4.275 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)N(Cc3cccnc3)C3CC3)s2)cc1 ZINC000503258237 912236622 /nfs/dbraw/zinc/23/66/22/912236622.db2.gz HNEANSIFJDWOFO-UHFFFAOYSA-N 0 0 422.539 4.294 20 30 HIEDRN CN1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)c2cc(F)ccc21 ZINC000464272602 877457670 /nfs/dbraw/zinc/45/76/70/877457670.db2.gz DAIRBWRWVCIILP-UHFFFAOYSA-N 0 0 401.441 4.373 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nn1 ZINC000464274724 877461150 /nfs/dbraw/zinc/46/11/50/877461150.db2.gz JOOPXQNEXJEWKC-UHFFFAOYSA-N 0 0 414.343 4.420 20 30 HIEDRN CN1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1=O ZINC000464293246 877480825 /nfs/dbraw/zinc/48/08/25/877480825.db2.gz IBHPLTTZIBSJIU-CYBMUJFWSA-N 0 0 417.387 4.176 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1 ZINC000464300425 877488724 /nfs/dbraw/zinc/48/87/24/877488724.db2.gz ZRCJKOWKVIITOL-UHFFFAOYSA-N 0 0 406.417 4.359 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H](C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000464300928 877489308 /nfs/dbraw/zinc/48/93/08/877489308.db2.gz VQNVCWFADIWLCO-HNNXBMFYSA-N 0 0 424.357 4.194 20 30 HIEDRN N#Cc1ccc(CSc2ccccc2C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1 ZINC000464302197 877491023 /nfs/dbraw/zinc/49/10/23/877491023.db2.gz XXBBHVYKZAJXAJ-UHFFFAOYSA-N 0 0 418.522 4.720 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503262032 912242979 /nfs/dbraw/zinc/24/29/79/912242979.db2.gz JIHMSJHCCCJFAB-OAQYLSRUSA-N 0 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C=CCOc1cc(OC)ccc1C(=O)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000464399205 877600549 /nfs/dbraw/zinc/60/05/49/877600549.db2.gz YEEXVBMWJMBZNQ-UHFFFAOYSA-N 0 0 409.530 4.034 20 30 HIEDRN CCN(C(=O)c1c(Cl)cccc1I)c1ccc(C#N)cc1 ZINC000464407491 877610974 /nfs/dbraw/zinc/61/09/74/877610974.db2.gz QYIVJEBIYHIQLD-UHFFFAOYSA-N 0 0 410.642 4.483 20 30 HIEDRN N#C[C@H](C(=O)c1cc2c(c(Br)c1)OCO2)c1cc(C(F)(F)F)ccn1 ZINC000464418063 877624420 /nfs/dbraw/zinc/62/44/20/877624420.db2.gz QNFIWNFSSXWAPN-JTQLQIEISA-N 0 0 413.149 4.082 20 30 HIEDRN CC#CCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000464439358 877653300 /nfs/dbraw/zinc/65/33/00/877653300.db2.gz OMJPSCQQVONHSF-CALCHBBNSA-N 0 0 400.519 4.239 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000464448875 877663451 /nfs/dbraw/zinc/66/34/51/877663451.db2.gz INBDSVGAINRZCF-LJQANCHMSA-N 0 0 413.541 4.217 20 30 HIEDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)c21 ZINC000464530899 877747297 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Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000467251740 880981166 /nfs/dbraw/zinc/98/11/66/880981166.db2.gz SCKAVZGIAAOQAS-UHFFFAOYSA-N 0 0 404.518 4.239 20 30 HIEDRN CCOc1ccc(NC(=O)N(CCOC)Cc2ccc(C#N)cc2)c2ncccc12 ZINC000467325950 881073841 /nfs/dbraw/zinc/07/38/41/881073841.db2.gz KLECRKYMDPFLON-UHFFFAOYSA-N 0 0 404.470 4.186 20 30 HIEDRN COC(=O)COc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000467339141 881090399 /nfs/dbraw/zinc/09/03/99/881090399.db2.gz QTZWIOSJUXBEIN-LBPRGKRZSA-N 0 0 421.375 4.012 20 30 HIEDRN N#Cc1cccc(CNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)c1 ZINC000467352114 881111500 /nfs/dbraw/zinc/11/15/00/881111500.db2.gz FCXCRUBLDIBKJY-UHFFFAOYSA-N 0 0 402.237 4.362 20 30 HIEDRN COCCn1c(C)c(C)c2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)ccc21 ZINC000503567659 912647108 /nfs/dbraw/zinc/64/71/08/912647108.db2.gz QVZOPCKWOQNYMC-LJQANCHMSA-N 0 0 400.482 4.281 20 30 HIEDRN CC(C)CCOc1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000467370111 881142619 /nfs/dbraw/zinc/14/26/19/881142619.db2.gz OBJONVUQTXHHHS-UHFFFAOYSA-N 0 0 410.493 4.476 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000467412937 881198978 /nfs/dbraw/zinc/19/89/78/881198978.db2.gz UXXKVZKFLUSRSI-GOSISDBHSA-N 0 0 404.514 4.399 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000467412938 881199853 /nfs/dbraw/zinc/19/98/53/881199853.db2.gz UXXKVZKFLUSRSI-SFHVURJKSA-N 0 0 404.514 4.399 20 30 HIEDRN C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000467415104 881203096 /nfs/dbraw/zinc/20/30/96/881203096.db2.gz AATBTOYOZLDNHZ-IBGZPJMESA-N 0 0 419.529 4.358 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000467417977 881207449 /nfs/dbraw/zinc/20/74/49/881207449.db2.gz KYYSNXGWUCONCK-SFHVURJKSA-N 0 0 419.529 4.335 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000467428173 881221592 /nfs/dbraw/zinc/22/15/92/881221592.db2.gz GNMOKPOOATVXIC-HXUWFJFHSA-N 0 0 420.557 4.118 20 30 HIEDRN C=CCC(CC=C)C(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000467521783 881339175 /nfs/dbraw/zinc/33/91/75/881339175.db2.gz MJRCJFLIKIKBOE-JOCHJYFZSA-N 0 0 413.539 4.073 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3cccc4c3CN(c3ccccn3)C4)on2)c1 ZINC000469051512 883122654 /nfs/dbraw/zinc/12/26/54/883122654.db2.gz PYBVVKUOSFWDDU-UHFFFAOYSA-N 0 0 407.433 4.381 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCCc3ccc(F)c(Br)c3)on2)c1 ZINC000469059336 883133846 /nfs/dbraw/zinc/13/38/46/883133846.db2.gz QKABZDJGFKRPJF-UHFFFAOYSA-N 0 0 414.234 4.087 20 30 HIEDRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1cc(F)ccc1C#N ZINC000469108624 883201525 /nfs/dbraw/zinc/20/15/25/883201525.db2.gz YMUTWUYQRGCHCA-UHFFFAOYSA-N 0 0 409.486 4.130 20 30 HIEDRN Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000469113181 883204282 /nfs/dbraw/zinc/20/42/82/883204282.db2.gz YOPVTYCKTZUIMN-SFHVURJKSA-N 0 0 404.445 4.060 20 30 HIEDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C)c1 ZINC000469115724 883208207 /nfs/dbraw/zinc/20/82/07/883208207.db2.gz RWJVLECFRSQNJF-JOCHJYFZSA-N 0 0 411.465 4.198 20 30 HIEDRN COc1ccccc1NC(=O)C[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469127795 883224276 /nfs/dbraw/zinc/22/42/76/883224276.db2.gz SFFGPADHRXOEGG-KRWDZBQOSA-N 0 0 420.513 4.107 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000469131162 883226456 /nfs/dbraw/zinc/22/64/56/883226456.db2.gz XJFBAYAAJISSBX-MRXNPFEDSA-N 0 0 410.543 4.388 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2Cl)c1 ZINC000469133151 883228347 /nfs/dbraw/zinc/22/83/47/883228347.db2.gz XWVOOKGGUUGPRE-UHFFFAOYSA-N 0 0 408.845 4.022 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000469181656 883282210 /nfs/dbraw/zinc/28/22/10/883282210.db2.gz IHJWUTSGDYAXJI-LJQANCHMSA-N 0 0 401.491 4.398 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC000469188947 883288849 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416.481 4.015 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(CN4CCCC4=O)cc3)CC2)cc1 ZINC000503644333 912749363 /nfs/dbraw/zinc/74/93/63/912749363.db2.gz QNWRBZPIGAZNFQ-UHFFFAOYSA-N 0 0 400.482 4.002 20 30 HIEDRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000503646549 912750699 /nfs/dbraw/zinc/75/06/99/912750699.db2.gz CXCYJWZTIQOTQI-FQEVSTJZSA-N 0 0 416.481 4.139 20 30 HIEDRN CCN(C[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1)CC(F)(F)F ZINC000469529375 883801555 /nfs/dbraw/zinc/80/15/55/883801555.db2.gz PEALSQSBQRFDEJ-KRWDZBQOSA-N 0 0 420.479 4.291 20 30 HIEDRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000469534403 883803988 /nfs/dbraw/zinc/80/39/88/883803988.db2.gz ZUXDFZDYAIMWGD-SNVBAGLBSA-N 0 0 406.244 4.089 20 30 HIEDRN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000469612207 883833840 /nfs/dbraw/zinc/83/38/40/883833840.db2.gz XCMKDGJNFJKOBK-GOSISDBHSA-N 0 0 422.573 4.299 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc2cccnc2s1 ZINC000469638507 883844291 /nfs/dbraw/zinc/84/42/91/883844291.db2.gz XCFRBLLLHAXFCS-UHFFFAOYSA-N 0 0 406.280 4.421 20 30 HIEDRN CC(C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 ZINC000469640630 883844959 /nfs/dbraw/zinc/84/49/59/883844959.db2.gz AAYUZSYTVAWQBV-MJGOQNOKSA-N 0 0 420.513 4.405 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c(Cl)c1 ZINC000469644436 883846632 /nfs/dbraw/zinc/84/66/32/883846632.db2.gz WEOQIGTWMVXMKU-UHFFFAOYSA-N 0 0 415.827 4.134 20 30 HIEDRN Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1Br ZINC000469669755 883861191 /nfs/dbraw/zinc/86/11/91/883861191.db2.gz ASQCMYJZLVPVIW-QGZVFWFLSA-N 0 0 400.276 4.235 20 30 HIEDRN N#CCCCn1cc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c2ccccc21 ZINC000469682926 883868166 /nfs/dbraw/zinc/86/81/66/883868166.db2.gz VZMJBKWYTSMPMA-UHFFFAOYSA-N 0 0 421.464 4.326 20 30 HIEDRN C[C@@H](C#N)CN(C(=O)c1cc(I)c(Cl)cc1Cl)C1CC1 ZINC000469692428 883873775 /nfs/dbraw/zinc/87/37/75/883873775.db2.gz HZDQRUMXNCXMGW-QMMMGPOBSA-N 0 0 423.081 4.362 20 30 HIEDRN CN(CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000469742226 883897342 /nfs/dbraw/zinc/89/73/42/883897342.db2.gz BIYSMCAUGRJPHI-UHFFFAOYSA-N 0 0 402.376 4.138 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000469743704 883899973 /nfs/dbraw/zinc/89/99/73/883899973.db2.gz VPWVOAYPAHQREB-UHFFFAOYSA-N 0 0 422.407 4.083 20 30 HIEDRN N#CCCCn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c2ccccc21 ZINC000469749164 883907369 /nfs/dbraw/zinc/90/73/69/883907369.db2.gz RXRSMSQMNSTHNH-RBBKRZOGSA-N 0 0 409.436 4.483 20 30 HIEDRN COc1cc(Br)ccc1[C@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000469751949 883913967 /nfs/dbraw/zinc/91/39/67/883913967.db2.gz KJEMNDJSOSXIEP-LBPRGKRZSA-N 0 0 413.275 4.230 20 30 HIEDRN FC(F)(F)c1ccc([C@@H]2CN(CCOCC(F)(F)C(F)(F)F)CCO2)cc1 ZINC000469761030 883927135 /nfs/dbraw/zinc/92/71/35/883927135.db2.gz PNEIUOLLEFQRQH-ZDUSSCGKSA-N 0 0 407.301 4.293 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CC[C@H](c2c(F)cccc2F)C1)c1ccccc1 ZINC000469789015 883963104 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ZINC000471353333 885970687 /nfs/dbraw/zinc/97/06/87/885970687.db2.gz JZPJQFIFRCOITP-GOSISDBHSA-N 0 0 404.539 4.052 20 30 HIEDRN Cc1c(NC(=O)c2occc2COc2cccc(C#N)c2)cccc1NC(=O)N(C)C ZINC000471357777 885980591 /nfs/dbraw/zinc/98/05/91/885980591.db2.gz PZXHSWIGJLPYDW-UHFFFAOYSA-N 0 0 418.453 4.385 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000471362762 885992410 /nfs/dbraw/zinc/99/24/10/885992410.db2.gz HFHOIUNCKHRICP-CRAIPNDOSA-N 0 0 416.447 4.374 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccco3)c3ccccc3)C2)n1 ZINC000471369708 886006671 /nfs/dbraw/zinc/00/66/71/886006671.db2.gz HJHAIWMDCXJAJE-FQEVSTJZSA-N 0 0 400.482 4.305 20 30 HIEDRN COc1ccc([C@@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C(C)C)cc1 ZINC000471369365 886006819 /nfs/dbraw/zinc/00/68/19/886006819.db2.gz NEYCQMSNHMMTLU-UNMCSNQZSA-N 0 0 406.530 4.000 20 30 HIEDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000471369947 886008429 /nfs/dbraw/zinc/00/84/29/886008429.db2.gz RBHIUNNBBNCAHI-UHFFFAOYSA-N 0 0 403.486 4.281 20 30 HIEDRN Cc1nc(SCC(=O)Nc2cccc(NC(=O)N(C)C)c2C)c(C#N)c(C)c1C ZINC000471378918 886024089 /nfs/dbraw/zinc/02/40/89/886024089.db2.gz AONYSFFETCSJNX-UHFFFAOYSA-N 0 0 411.531 4.011 20 30 HIEDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1 ZINC000471389226 886038238 /nfs/dbraw/zinc/03/82/38/886038238.db2.gz ULXWSIJZSRQSSG-UHFFFAOYSA-N 0 0 418.384 4.480 20 30 HIEDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504092375 913002596 /nfs/dbraw/zinc/00/25/96/913002596.db2.gz NBPPVGBACBDKEP-VLIAUNLRSA-N 0 0 423.351 4.148 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000504093129 913003244 /nfs/dbraw/zinc/00/32/44/913003244.db2.gz PMXWARSHDYGLAX-UHFFFAOYSA-N 0 0 410.437 4.102 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc(N4CCC(C)CC4)c3)C2)n1 ZINC000471430467 886088575 /nfs/dbraw/zinc/08/85/75/886088575.db2.gz DPEXUKXMCNJVHJ-NRFANRHFSA-N 0 0 417.557 4.353 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(F)c(Br)c3)C2)n1 ZINC000471438079 886099515 /nfs/dbraw/zinc/09/95/15/886099515.db2.gz WRIJRFFSIRFKER-AWEZNQCLSA-N 0 0 417.282 4.018 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)nn1CCC#N ZINC000504099872 913009221 /nfs/dbraw/zinc/00/92/21/913009221.db2.gz YQQVCDDUZMDHAU-UHFFFAOYSA-N 0 0 401.186 4.139 20 30 HIEDRN COc1cccc([C@H](NC(=O)Cc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 ZINC000471448597 886121764 /nfs/dbraw/zinc/12/17/64/886121764.db2.gz HQONWMIVMGIKEM-DEOSSOPVSA-N 0 0 404.441 4.163 20 30 HIEDRN COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471449883 886123544 /nfs/dbraw/zinc/12/35/44/886123544.db2.gz HCHAZUROVVFDIK-UNMCSNQZSA-N 0 0 420.557 4.390 20 30 HIEDRN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)nn1CCC#N ZINC000504101253 913011193 /nfs/dbraw/zinc/01/11/93/913011193.db2.gz YEFZCBCMSVCJTD-UHFFFAOYSA-N 0 0 404.405 4.008 20 30 HIEDRN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000471513372 886213954 /nfs/dbraw/zinc/21/39/54/886213954.db2.gz HBLZDIKRZPMPCE-UHFFFAOYSA-N 0 0 403.503 4.061 20 30 HIEDRN C=CCn1c(SC[C@@H](O)CCOC(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000471563696 886272769 /nfs/dbraw/zinc/27/27/69/886272769.db2.gz RVMFUNHFYQJPHS-GJZGRUSLSA-N 0 0 422.616 4.037 20 30 HIEDRN Cn1cc(C#N)cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000471591752 886304347 /nfs/dbraw/zinc/30/43/47/886304347.db2.gz ZOQORKPQONNRPB-HSZRJFAPSA-N 0 0 418.928 4.098 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000471599351 886313276 /nfs/dbraw/zinc/31/32/76/886313276.db2.gz RAYDSMNNNMSXOP-UHFFFAOYSA-N 0 0 407.345 4.402 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)n1 ZINC000471599759 886313346 /nfs/dbraw/zinc/31/33/46/886313346.db2.gz VXDGKMLLKPPZBE-DEOSSOPVSA-N 0 0 424.548 4.426 20 30 HIEDRN CC(=O)Nc1ccc(NCc2nnc(-c3cccc(C#N)c3)o2)c(C(F)(F)F)c1 ZINC000471607876 886322293 /nfs/dbraw/zinc/32/22/93/886322293.db2.gz ZOQKFIUQSPHNCE-UHFFFAOYSA-N 0 0 401.348 4.198 20 30 HIEDRN COC[C@@H](Cc1ccccc1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000471615885 886331466 /nfs/dbraw/zinc/33/14/66/886331466.db2.gz YRAYBFPJMLUFIK-HSZRJFAPSA-N 0 0 400.478 4.125 20 30 HIEDRN N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3OC[C@H]3CCCO3)o2)c1 ZINC000471623866 886341112 /nfs/dbraw/zinc/34/11/12/886341112.db2.gz DNNUTCVCJMMBCY-QGZVFWFLSA-N 0 0 410.861 4.432 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccco3)Cc3ccccc3)C2)n1 ZINC000471630656 886348361 /nfs/dbraw/zinc/34/83/61/886348361.db2.gz BVRCZCGVEGIKDL-JOCHJYFZSA-N 0 0 414.509 4.300 20 30 HIEDRN COC(=O)C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc2ccccc2c1 ZINC000471635499 886353806 /nfs/dbraw/zinc/35/38/06/886353806.db2.gz OCVRVIAEVCBBDI-NRFANRHFSA-N 0 0 404.491 4.490 20 30 HIEDRN N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3C(=O)N3CCCCC3)o2)c1 ZINC000471637848 886355520 /nfs/dbraw/zinc/35/55/20/886355520.db2.gz PEXXWDXADILIMF-UHFFFAOYSA-N 0 0 421.888 4.500 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000471671718 886382066 /nfs/dbraw/zinc/38/20/66/886382066.db2.gz XFVKQGUOQYZDET-UHFFFAOYSA-N 0 0 419.569 4.398 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000504142622 913041297 /nfs/dbraw/zinc/04/12/97/913041297.db2.gz CWSASVHRFIGTJM-UHFFFAOYSA-N 0 0 407.474 4.360 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3Cl)C2=O)cc1 ZINC000504167621 913056338 /nfs/dbraw/zinc/05/63/38/913056338.db2.gz UKUIOLFYMDVYRD-KRWDZBQOSA-N 0 0 421.806 4.156 20 30 HIEDRN COc1cccc(C=C2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 ZINC000471885079 886666237 /nfs/dbraw/zinc/66/62/37/886666237.db2.gz OPPMYAIRYJTWTO-UHFFFAOYSA-N 0 0 402.903 4.088 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)C2)n1 ZINC000471912182 886697858 /nfs/dbraw/zinc/69/78/58/886697858.db2.gz QFEZICWDTUGKSZ-PMACEKPBSA-N 0 0 408.933 4.148 20 30 HIEDRN O=C(Nc1ccc(C(F)(F)F)nn1)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000471930022 886722087 /nfs/dbraw/zinc/72/20/87/886722087.db2.gz WSLITDPXBRUFHW-LLVKDONJSA-N 0 0 400.229 4.199 20 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ZINC000471983963 886811793 /nfs/dbraw/zinc/81/17/93/886811793.db2.gz DQHYEVMYEHWEFW-PMACEKPBSA-N 0 0 402.420 4.321 20 30 HIEDRN CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471984291 886812275 /nfs/dbraw/zinc/81/22/75/886812275.db2.gz FXFYTWAQSVKUIV-HKUYNNGSSA-N 0 0 406.383 4.072 20 30 HIEDRN COc1ccc(C2(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)CCCC2)cc1 ZINC000471999634 886825318 /nfs/dbraw/zinc/82/53/18/886825318.db2.gz UCWSGICIXNKUSK-FQEVSTJZSA-N 0 0 418.541 4.072 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000504204210 913084518 /nfs/dbraw/zinc/08/45/18/913084518.db2.gz VPBBWOCWLAZPTC-QFIPXVFZSA-N 0 0 413.477 4.063 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2c[nH]c3ncc(Br)cc23)cc1 ZINC000472019129 886842116 /nfs/dbraw/zinc/84/21/16/886842116.db2.gz XTKOEHIFKWXXNW-UHFFFAOYSA-N 0 0 413.275 4.285 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CC=C(c2c(F)cccc2F)CC1)c1ccccc1 ZINC000472025320 886847856 /nfs/dbraw/zinc/84/78/56/886847856.db2.gz NXWQGWBGCBFEBA-UHFFFAOYSA-N 0 0 423.463 4.308 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000472099719 886892910 /nfs/dbraw/zinc/89/29/10/886892910.db2.gz JSLQXINEEYXMKM-UHFFFAOYSA-N 0 0 419.462 4.098 20 30 HIEDRN CC(C)[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000472119118 886904778 /nfs/dbraw/zinc/90/47/78/886904778.db2.gz AUGDMVGATQSJIX-GOSISDBHSA-N 0 0 407.879 4.138 20 30 HIEDRN COc1ccccc1N1CC[C@H](CNc2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000504218369 913093644 /nfs/dbraw/zinc/09/36/44/913093644.db2.gz IRTNNBMADFYSFO-CQSZACIVSA-N 0 0 410.880 4.268 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@](C)(c4ccccc4)C3)C2)n1 ZINC000472166562 886964966 /nfs/dbraw/zinc/96/49/66/886964966.db2.gz YNJKVPBTCYRHAZ-SQJMNOBHSA-N 0 0 402.542 4.058 20 30 HIEDRN CCCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c(OC(F)F)c1 ZINC000472214174 887014352 /nfs/dbraw/zinc/01/43/52/887014352.db2.gz PIVWCNOAICQAEH-CQSZACIVSA-N 0 0 404.413 4.032 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000472215695 887015959 /nfs/dbraw/zinc/01/59/59/887015959.db2.gz ZRDUTLPPZPUNQS-SJLPKXTDSA-N 0 0 409.287 4.237 20 30 HIEDRN N#C[C@]1(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCc2ccccc2C1 ZINC000472248246 887057716 /nfs/dbraw/zinc/05/77/16/887057716.db2.gz BNMHZUOBMXFRMS-LQWHRVPQSA-N 0 0 400.400 4.256 20 30 HIEDRN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000472278973 887095902 /nfs/dbraw/zinc/09/59/02/887095902.db2.gz QDTDRDWCWCCWJY-HSZRJFAPSA-N 0 0 405.498 4.363 20 30 HIEDRN CCC(=O)c1ccc(OCCCCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000472290765 887110694 /nfs/dbraw/zinc/11/06/94/887110694.db2.gz ILXVBNHPGJUPGW-RUZDIDTESA-N 0 0 404.510 4.396 20 30 HIEDRN Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)ccc1NC(=O)c1cccs1 ZINC000472292159 887112980 /nfs/dbraw/zinc/11/29/80/887112980.db2.gz LLTLMEDOMPFLKL-XMMPIXPASA-N 0 0 415.518 4.490 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000472321695 887156173 /nfs/dbraw/zinc/15/61/73/887156173.db2.gz QRTJAQPUOVXRKP-SWNWVQGVSA-N 0 0 411.483 4.113 20 30 HIEDRN N#Cc1ccc(Cn2cnc(NC(=O)CC3(CSc4ccccc4)CC3)n2)cc1 ZINC000472326805 887160649 /nfs/dbraw/zinc/16/06/49/887160649.db2.gz LKJJQAIVLKUOSP-UHFFFAOYSA-N 0 0 403.511 4.099 20 30 HIEDRN COCc1ccc(CNc2ccc(C#N)c(NCc3ccc(COC)cc3)n2)cc1 ZINC000472360277 887196125 /nfs/dbraw/zinc/19/61/25/887196125.db2.gz JIGZPGMCBDZCSZ-UHFFFAOYSA-N 0 0 402.498 4.470 20 30 HIEDRN CCCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C)C(=O)Nc1ccccc1 ZINC000472431194 887280255 /nfs/dbraw/zinc/28/02/55/887280255.db2.gz MAIIXYQYIDCIJO-IBGZPJMESA-N 0 0 416.525 4.477 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCCc2ccccc2OC(F)F)c1 ZINC000472441684 887291968 /nfs/dbraw/zinc/29/19/68/887291968.db2.gz BESSMGWOFSIKCM-UHFFFAOYSA-N 0 0 412.392 4.304 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 ZINC000472458530 887314487 /nfs/dbraw/zinc/31/44/87/887314487.db2.gz XXCGBYCYRZCUEL-PKOBYXMFSA-N 0 0 418.415 4.270 20 30 HIEDRN COCCCC[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000472463675 887321498 /nfs/dbraw/zinc/32/14/98/887321498.db2.gz PGDNROPSAXQIQU-QFIPXVFZSA-N 0 0 424.520 4.087 20 30 HIEDRN COCCCC[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000472464019 887323698 /nfs/dbraw/zinc/32/36/98/887323698.db2.gz NAHXLBKNRDLLLF-GOTSBHOMSA-N 0 0 407.514 4.199 20 30 HIEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000472475242 887337521 /nfs/dbraw/zinc/33/75/21/887337521.db2.gz GEYODKBAWARFMS-LBPRGKRZSA-N 0 0 414.428 4.068 20 30 HIEDRN C=CCn1c(SCc2nc3ccccc3n2C)nnc1[C@H]1COc2ccccc2O1 ZINC000504282397 913137910 /nfs/dbraw/zinc/13/79/10/913137910.db2.gz UBLXCARHZYPSHO-LJQANCHMSA-N 0 0 419.510 4.156 20 30 HIEDRN C=CC1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000472525141 887394706 /nfs/dbraw/zinc/39/47/06/887394706.db2.gz YGSMUDYEDPYAAM-LBPRGKRZSA-N 0 0 405.296 4.168 20 30 HIEDRN COc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(OCC2CC2)c1 ZINC000472539652 887415223 /nfs/dbraw/zinc/41/52/23/887415223.db2.gz KRVNPXIWVCYHRS-GOSISDBHSA-N 0 0 404.388 4.497 20 30 HIEDRN Cc1ccc(-c2noc([C@H](C)NC(=O)CCCCOc3cccc(C#N)c3)n2)cc1F ZINC000472549945 887431152 /nfs/dbraw/zinc/43/11/52/887431152.db2.gz UEGNXEVBNZKMMX-INIZCTEOSA-N 0 0 422.460 4.482 20 30 HIEDRN COc1ccc(F)c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1OC ZINC000472551870 887434702 /nfs/dbraw/zinc/43/47/02/887434702.db2.gz QTMQIHXYRMXQFC-FQEVSTJZSA-N 0 0 420.440 4.417 20 30 HIEDRN Cc1ccc(-c2noc([C@H](C)NC(=O)CSCc3ccc(C#N)cc3)n2)cc1F ZINC000472555763 887439978 /nfs/dbraw/zinc/43/99/78/887439978.db2.gz LAJBCFFPJWSVAI-AWEZNQCLSA-N 0 0 410.474 4.166 20 30 HIEDRN Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)n2)cc1F ZINC000472563526 887450823 /nfs/dbraw/zinc/45/08/23/887450823.db2.gz OTRWSEHJRTYULY-MGPUTAFESA-N 0 0 422.460 4.337 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1OC ZINC000472601379 887472509 /nfs/dbraw/zinc/47/25/09/887472509.db2.gz FHTZIKAJOSYODQ-CQSZACIVSA-N 0 0 411.433 4.249 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](COC)c1ccco1 ZINC000472825703 887671951 /nfs/dbraw/zinc/67/19/51/887671951.db2.gz MBZKKJYGUFMDGZ-MRXNPFEDSA-N 0 0 411.271 4.267 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(C3CC3)CC2)cc1Cl ZINC000504326365 913170331 /nfs/dbraw/zinc/17/03/31/913170331.db2.gz WMSDIXMUWDIBBX-LJQANCHMSA-N 0 0 407.901 4.240 20 30 HIEDRN N#CCCCCNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000472860248 887714953 /nfs/dbraw/zinc/71/49/53/887714953.db2.gz NCRVHFQFMOIEHF-UHFFFAOYSA-N 0 0 404.268 4.192 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000472861989 887716881 /nfs/dbraw/zinc/71/68/81/887716881.db2.gz XQDABLCTUQEKBT-UHFFFAOYSA-N 0 0 422.916 4.378 20 30 HIEDRN C[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000472912876 887758768 /nfs/dbraw/zinc/75/87/68/887758768.db2.gz DITHOJMWWXPBRH-SFHVURJKSA-N 0 0 423.476 4.209 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(CC(F)F)c3cccc(Cl)c3)CC2)o1 ZINC000472926746 887773841 /nfs/dbraw/zinc/77/38/41/887773841.db2.gz WFXPQBDHTHDNCE-UHFFFAOYSA-N 0 0 408.836 4.023 20 30 HIEDRN COCCCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000472982419 887825260 /nfs/dbraw/zinc/82/52/60/887825260.db2.gz ZDEVJDZZYGIVOR-NRFANRHFSA-N 0 0 407.514 4.100 20 30 HIEDRN C=CCc1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)cc(OC)c1OC ZINC000504355163 913189576 /nfs/dbraw/zinc/18/95/76/913189576.db2.gz IOFZGXQMNUJDSW-UHFFFAOYSA-N 0 0 413.861 4.317 20 30 HIEDRN CC(C)(C)N1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1=O ZINC000473081682 887897830 /nfs/dbraw/zinc/89/78/30/887897830.db2.gz OZYNUMPUGAWCBW-INIZCTEOSA-N 0 0 410.449 4.011 20 30 HIEDRN C=CCSc1ccccc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000473091321 887901205 /nfs/dbraw/zinc/90/12/05/887901205.db2.gz HNPGQGHWQJAHAM-HOTGVXAUSA-N 0 0 405.564 4.106 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNC(C)(C)c2nc3ccccc3n2C)ccc1Cl ZINC000473174733 887952798 /nfs/dbraw/zinc/95/27/98/887952798.db2.gz ZIAKELUCAOKXCJ-UHFFFAOYSA-N 0 0 423.948 4.307 20 30 HIEDRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)[C@@H]1c1cccc(F)c1 ZINC000473212105 887988184 /nfs/dbraw/zinc/98/81/84/887988184.db2.gz FUWXHSNHAQHFKK-KKSFZXQISA-N 0 0 409.461 4.056 20 30 HIEDRN COCCC1(CNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCC1 ZINC000473228640 888002011 /nfs/dbraw/zinc/00/20/11/888002011.db2.gz ZZRQIWPARNJYHJ-UHFFFAOYSA-N 0 0 421.497 4.002 20 30 HIEDRN COCCC1(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCC1 ZINC000473230887 888003422 /nfs/dbraw/zinc/00/34/22/888003422.db2.gz NSHFRSZVPRKJPM-UHFFFAOYSA-N 0 0 421.497 4.002 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000473268341 888027783 /nfs/dbraw/zinc/02/77/83/888027783.db2.gz IDPQDEAEHGNWLL-UHFFFAOYSA-N 0 0 416.481 4.076 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCC2(Cc3ccccc3)CCCCC2)ccc1Cl ZINC000473316660 888061514 /nfs/dbraw/zinc/06/15/14/888061514.db2.gz BLUPWAVPUAYNMM-UHFFFAOYSA-N 0 0 409.917 4.460 20 30 HIEDRN C=CCCCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000473353487 888080336 /nfs/dbraw/zinc/08/03/36/888080336.db2.gz GNIWFUQQVMRLHR-UHFFFAOYSA-N 0 0 419.953 4.156 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC000473370905 888089894 /nfs/dbraw/zinc/08/98/94/888089894.db2.gz SLEKAVOVYDFRRW-UHFFFAOYSA-N 0 0 400.548 4.060 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)Nc3cc([C@H]4CCCOC4)[nH]n3)c2)cc1 ZINC000473411496 888129643 /nfs/dbraw/zinc/12/96/43/888129643.db2.gz GRDHCVXHLHLCOD-IBGZPJMESA-N 0 0 402.454 4.007 20 30 HIEDRN CC(C)COc1cccc(OCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000473431527 888151864 /nfs/dbraw/zinc/15/18/64/888151864.db2.gz CAVJJYJUYXVIKB-UHFFFAOYSA-N 0 0 408.498 4.042 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@H]1c1nccs1 ZINC000473439548 888160225 /nfs/dbraw/zinc/16/02/25/888160225.db2.gz GHYRZCFPARLWIH-HOCLYGCPSA-N 0 0 418.613 4.266 20 30 HIEDRN Cc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000473445047 888166952 /nfs/dbraw/zinc/16/69/52/888166952.db2.gz VZBMMXRJVRZSGB-UHFFFAOYSA-N 0 0 410.905 4.080 20 30 HIEDRN C[C@@H](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cn(-c2ccccc2)nn1 ZINC000473456356 888179905 /nfs/dbraw/zinc/17/99/05/888179905.db2.gz ZXEOMFSQBCTLKU-QGZVFWFLSA-N 0 0 408.465 4.374 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000504398006 913218685 /nfs/dbraw/zinc/21/86/85/913218685.db2.gz AKUPMJFKQYHXKR-NRFANRHFSA-N 0 0 406.530 4.249 20 30 HIEDRN CC(C)c1nc(Cn2cc(C(=O)[C@@H](C#N)c3nc4ccccc4o3)ccc2=O)cs1 ZINC000473485899 888207091 /nfs/dbraw/zinc/20/70/91/888207091.db2.gz BNJMWPBANAFCKC-MRXNPFEDSA-N 0 0 418.478 4.108 20 30 HIEDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000473536750 888274586 /nfs/dbraw/zinc/27/45/86/888274586.db2.gz YJGHFMDGCRKVNV-BEIWTESXSA-N 0 0 419.506 4.316 20 30 HIEDRN C=CCc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc(OC)c1OC ZINC000473539325 888277223 /nfs/dbraw/zinc/27/72/23/888277223.db2.gz FFUIXASFQHWEKC-OHZJNBGDSA-N 0 0 401.528 4.003 20 30 HIEDRN CC(C)c1nc2ccc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)cc2s1 ZINC000473562983 888303190 /nfs/dbraw/zinc/30/31/90/888303190.db2.gz SRGLPLRBRXGQLW-LJQANCHMSA-N 0 0 418.522 4.421 20 30 HIEDRN COc1cccc([C@@H](C)CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000473563761 888304650 /nfs/dbraw/zinc/30/46/50/888304650.db2.gz WPFLDSBETXPZQU-JTSKRJEESA-N 0 0 411.933 4.251 20 30 HIEDRN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[nH]n2)cc1C ZINC000473565575 888305877 /nfs/dbraw/zinc/30/58/77/888305877.db2.gz BYQVCGQWVDIDAH-UHFFFAOYSA-N 0 0 400.482 4.249 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000473565912 888306860 /nfs/dbraw/zinc/30/68/60/888306860.db2.gz CNPKAKHLMOKJNE-UWJYYQICSA-N 0 0 409.917 4.005 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000473567586 888308358 /nfs/dbraw/zinc/30/83/58/888308358.db2.gz CZBUATJKOWYCJA-QFIPXVFZSA-N 0 0 423.944 4.492 20 30 HIEDRN COc1ccc(Cl)cc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473568606 888309378 /nfs/dbraw/zinc/30/93/78/888309378.db2.gz FHRXQTWZWYAITK-SFHVURJKSA-N 0 0 404.297 4.025 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000473572532 888313150 /nfs/dbraw/zinc/31/31/50/888313150.db2.gz YBALHGSLOCBSDM-WOJBJXKFSA-N 0 0 411.958 4.328 20 30 HIEDRN Cn1cc([C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C(C)(C)C)cn1 ZINC000473573331 888314106 /nfs/dbraw/zinc/31/41/06/888314106.db2.gz BFFZVHYBAFMIEF-JOCHJYFZSA-N 0 0 402.498 4.388 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000473575195 888316634 /nfs/dbraw/zinc/31/66/34/888316634.db2.gz LVPOOPGTTCVANP-RCCFBDPRSA-N 0 0 413.871 4.418 20 30 HIEDRN Cc1nc(CC(C)C)sc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473574998 888316796 /nfs/dbraw/zinc/31/67/96/888316796.db2.gz ZHONJBVFPZXFOU-SFHVURJKSA-N 0 0 416.978 4.326 20 30 HIEDRN C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000473581494 888323285 /nfs/dbraw/zinc/32/32/85/888323285.db2.gz DYCKUIJHDUSGBX-KXBFYZLASA-N 0 0 403.507 4.141 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccn(C3CCCCC3)n2)CC1 ZINC000473581880 888323851 /nfs/dbraw/zinc/32/38/51/888323851.db2.gz JHTJPXZBARFBQZ-OAQYLSRUSA-N 0 0 411.937 4.064 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000504420284 913234324 /nfs/dbraw/zinc/23/43/24/913234324.db2.gz VYPOYJAUTCBODK-YADHBBJMSA-N 0 0 402.498 4.060 20 30 HIEDRN CC1(C#N)CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000504420199 913234406 /nfs/dbraw/zinc/23/44/06/913234406.db2.gz VGYPLEPUZFHPDU-UHFFFAOYSA-N 0 0 404.230 4.303 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000473624328 888363738 /nfs/dbraw/zinc/36/37/38/888363738.db2.gz JYGIDJJOJXGPQU-LJQANCHMSA-N 0 0 400.346 4.387 20 30 HIEDRN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000504436873 913248924 /nfs/dbraw/zinc/24/89/24/913248924.db2.gz ZUYIYMHREBFKLL-FQEVSTJZSA-N 0 0 419.569 4.434 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000504442978 913253362 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424.551 4.063 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000504457030 913263030 /nfs/dbraw/zinc/26/30/30/913263030.db2.gz XKLMYWQTNYCREL-UHFFFAOYSA-N 0 0 402.878 4.061 20 30 HIEDRN C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC000473833869 888670273 /nfs/dbraw/zinc/67/02/73/888670273.db2.gz DSOJWCKNHPRYDY-UGSOOPFHSA-N 0 0 416.308 4.233 20 30 HIEDRN Cc1c(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cccc1C(F)(F)F ZINC000473833707 888670416 /nfs/dbraw/zinc/67/04/16/888670416.db2.gz YFUFFGMDESMJAB-UHFFFAOYSA-N 0 0 406.383 4.379 20 30 HIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000473844840 888689190 /nfs/dbraw/zinc/68/91/90/888689190.db2.gz COXIIODONBENDJ-IBGZPJMESA-N 0 0 406.324 4.056 20 30 HIEDRN C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cc2cccc(F)c2o1 ZINC000473866591 888723805 /nfs/dbraw/zinc/72/38/05/888723805.db2.gz CTLNFEYWZGZBHS-AWEZNQCLSA-N 0 0 410.424 4.175 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473916127 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HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000478851961 894130934 /nfs/dbraw/zinc/13/09/34/894130934.db2.gz JOOIACVDARJMPE-UHFFFAOYSA-N 0 0 402.372 4.454 20 30 HIEDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000505143274 913840544 /nfs/dbraw/zinc/84/05/44/913840544.db2.gz QDDBDQJSPHBMMH-UHFFFAOYSA-N 0 0 420.271 4.133 20 30 HIEDRN Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1NC(=O)c1ccc(Br)cc1 ZINC000505148506 913842262 /nfs/dbraw/zinc/84/22/62/913842262.db2.gz JJLVTFPQQNQWIB-AWEZNQCLSA-N 0 0 414.303 4.384 20 30 HIEDRN C=CCn1c2nnc(SCc3cc(OC)ccc3Cl)n2c2ccccc2c1=O ZINC000478908213 894188829 /nfs/dbraw/zinc/18/88/29/894188829.db2.gz DXWKHSCZQFBMIP-UHFFFAOYSA-N 0 0 412.902 4.185 20 30 HIEDRN C=C(C)[C@@H](NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccc(F)c(F)c1 ZINC000478909246 894189756 /nfs/dbraw/zinc/18/97/56/894189756.db2.gz HBBMYRDYCDHTLO-LJQANCHMSA-N 0 0 400.425 4.268 20 30 HIEDRN C=C(C)[C@@H](NC(=O)c1nnn(-c2ccc3ncccc3c2)c1C)c1ccc(F)c(F)c1 ZINC000478921230 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HIEDRN CN(CCOc1ccccc1F)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000479171481 894441033 /nfs/dbraw/zinc/44/10/33/894441033.db2.gz XDTOYECMOAVTPM-UHFFFAOYSA-N 0 0 411.477 4.108 20 30 HIEDRN Cc1cccc(OCCN(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000479171886 894441498 /nfs/dbraw/zinc/44/14/98/894441498.db2.gz XQCOYYSGCSTLMA-UHFFFAOYSA-N 0 0 407.514 4.277 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000479181168 894449256 /nfs/dbraw/zinc/44/92/56/894449256.db2.gz BTLDJYLNWKSXTF-YDPRHXJPSA-N 0 0 423.488 4.170 20 30 HIEDRN CC(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1Cl ZINC000479185693 894453393 /nfs/dbraw/zinc/45/33/93/894453393.db2.gz HUKACTPNCWRYMY-UHFFFAOYSA-N 0 0 405.907 4.021 20 30 HIEDRN C[C@H]1CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H](c2ccccc2)O1 ZINC000479187965 894456519 /nfs/dbraw/zinc/45/65/19/894456519.db2.gz GAAZXBFGLTWYRR-HNRNTVDCSA-N 0 0 419.525 4.420 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000479190788 894457755 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N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC000479564280 894860490 /nfs/dbraw/zinc/86/04/90/894860490.db2.gz QIWPCGOXAPIZJA-UHFFFAOYSA-N 0 0 401.447 4.293 20 30 HIEDRN Cc1c(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cccc1[N+](=O)[O-] ZINC000479564644 894862064 /nfs/dbraw/zinc/86/20/64/894862064.db2.gz GNYGWNCIWOAJOE-UHFFFAOYSA-N 0 0 407.455 4.144 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NC1CC(C(C)(C)C)C1 ZINC000479568254 894863941 /nfs/dbraw/zinc/86/39/41/894863941.db2.gz PSKANWSUXZWDCL-UHFFFAOYSA-N 0 0 419.525 4.325 20 30 HIEDRN CN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1cc(Cl)ccc1C#N ZINC000479570680 894864701 /nfs/dbraw/zinc/86/47/01/894864701.db2.gz QLUJZKYHIAQBJB-UHFFFAOYSA-N 0 0 411.870 4.383 20 30 HIEDRN CC(C)(C)C1CC(NC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000479570000 894864918 /nfs/dbraw/zinc/86/49/18/894864918.db2.gz WCAGWVWAYAGPCM-UHFFFAOYSA-N 0 0 419.525 4.211 20 30 HIEDRN N#Cc1ccc2ncc(CNCc3cc(Br)ccc3Br)n2c1 ZINC000479578428 894870214 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HIEDRN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000480212381 895616048 /nfs/dbraw/zinc/61/60/48/895616048.db2.gz HPSYAPMVFXREQI-INIZCTEOSA-N 0 0 405.376 4.371 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NCc2ccc(Cl)s2)nnc1-c1ccco1 ZINC000480223785 895627662 /nfs/dbraw/zinc/62/76/62/895627662.db2.gz JEDKASUWVHKVFK-UHFFFAOYSA-N 0 0 408.936 4.238 20 30 HIEDRN N#C[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000505324401 913987387 /nfs/dbraw/zinc/98/73/87/913987387.db2.gz BGQSJRCALIHHPS-FGZHOGPDSA-N 0 0 410.539 4.249 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(F)cc2-c2cnn(C)c2)c1 ZINC000480292260 895697815 /nfs/dbraw/zinc/69/78/15/895697815.db2.gz KRTHGAFUECKPGW-UHFFFAOYSA-N 0 0 405.477 4.202 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@H](C)Cc2cccs2)nnc1-c1ccco1 ZINC000480307481 895710206 /nfs/dbraw/zinc/71/02/06/895710206.db2.gz DYDBHHXWVIBYHK-CQSZACIVSA-N 0 0 402.545 4.015 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000480318274 895720983 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C=CCn1c(SC[C@H](O)COc2ccc(C(C)(C)C)cc2)nnc1-c1ccccn1 ZINC000480364064 895770834 /nfs/dbraw/zinc/77/08/34/895770834.db2.gz QIPXSEHUVIOJEQ-GOSISDBHSA-N 0 0 424.570 4.356 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)n2)c(F)c1 ZINC000480365479 895774032 /nfs/dbraw/zinc/77/40/32/895774032.db2.gz KFVJJNGWVUPVLY-ZIAGYGMSSA-N 0 0 409.387 4.373 20 30 HIEDRN N#C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)c1cccc(Cl)c1Cl ZINC000505345277 914010101 /nfs/dbraw/zinc/01/01/01/914010101.db2.gz RVZRUIOPLFRPKS-ZDUSSCGKSA-N 0 0 407.282 4.419 20 30 HIEDRN C=CCn1c(SC[C@H](O)COc2cccc3[nH]ccc32)nnc1-c1cccs1 ZINC000480397078 895802389 /nfs/dbraw/zinc/80/23/89/895802389.db2.gz WOKBCORLDJQJKA-CQSZACIVSA-N 0 0 412.540 4.206 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc(OCc2ccccc2)cc1 ZINC000505342025 914005834 /nfs/dbraw/zinc/00/58/34/914005834.db2.gz FLAYSFOMYIWVRA-NHCUHLMSSA-N 0 0 418.522 4.072 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2Cc2ccccc2)nnc1-c1ccco1 ZINC000480455871 895842512 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AFWVETBNGBEFEI-UHFFFAOYSA-N 0 0 412.515 4.153 20 30 HIEDRN COCCOc1ccc(Br)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000480973373 896310481 /nfs/dbraw/zinc/31/04/81/896310481.db2.gz UMEUTHQMJZMQAU-UHFFFAOYSA-N 0 0 412.328 4.268 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)Nc3cccc(Oc4cnccn4)c3)CC2)c(F)c1 ZINC000505390158 914055465 /nfs/dbraw/zinc/05/54/65/914055465.db2.gz TYDMCKNNMRGSTA-UHFFFAOYSA-N 0 0 417.444 4.135 20 30 HIEDRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000480996911 896328484 /nfs/dbraw/zinc/32/84/84/896328484.db2.gz GRNHFDZZVRCSCU-CABCVRRESA-N 0 0 419.934 4.121 20 30 HIEDRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000481001907 896333416 /nfs/dbraw/zinc/33/34/16/896333416.db2.gz SGEASKPTQIWQMI-RHSMWYFYSA-N 0 0 419.934 4.169 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)cc1 ZINC000481005220 896336901 /nfs/dbraw/zinc/33/69/01/896336901.db2.gz WLPNJWGOGXEMNP-CBGDNZLLSA-N 0 0 411.527 4.377 20 30 HIEDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000505392598 914057893 /nfs/dbraw/zinc/05/78/93/914057893.db2.gz VWHYRMNDJAVVTI-UHFFFAOYSA-N 0 0 424.476 4.231 20 30 HIEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc1 ZINC000481048587 896372867 /nfs/dbraw/zinc/37/28/67/896372867.db2.gz CXQWBFLDBTXCJZ-SIFCLUCFSA-N 0 0 415.490 4.126 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000481067015 896386903 /nfs/dbraw/zinc/38/69/03/896386903.db2.gz ANSUGLZXKHNPBU-GOSISDBHSA-N 0 0 415.607 4.060 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C(F)(F)F ZINC000481066554 896387660 /nfs/dbraw/zinc/38/76/60/896387660.db2.gz CDIUCFMHAHWKAH-LJQANCHMSA-N 0 0 417.412 4.040 20 30 HIEDRN N#Cc1cccc(F)c1CC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000505398523 914062463 /nfs/dbraw/zinc/06/24/63/914062463.db2.gz ZHVZFDRYHIXOOZ-SFHVURJKSA-N 0 0 420.271 4.176 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc1 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ZINC000487764977 902350336 /nfs/dbraw/zinc/35/03/36/902350336.db2.gz XWLLHFKVTRMBHF-QFIPXVFZSA-N 0 0 424.566 4.110 20 30 HIEDRN C=CCC[C@@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000487767592 902351701 /nfs/dbraw/zinc/35/17/01/902351701.db2.gz QIVXJHGZLWDGSO-OAQYLSRUSA-N 0 0 420.509 4.342 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000487778120 902359010 /nfs/dbraw/zinc/35/90/10/902359010.db2.gz BOJKYRWYOQMMAE-SNVBAGLBSA-N 0 0 409.260 4.072 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000487780230 902361181 /nfs/dbraw/zinc/36/11/81/902361181.db2.gz HPKIKNBMQVUSGO-YOEHRIQHSA-N 0 0 415.534 4.304 20 30 HIEDRN N#C[C@H](NC(=O)CCCOc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000505961460 914617274 /nfs/dbraw/zinc/61/72/74/914617274.db2.gz YQSGPOYOAXKXRY-INIZCTEOSA-N 0 0 407.253 4.262 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1nc2ccccc2n1CC ZINC000487801476 902374776 /nfs/dbraw/zinc/37/47/76/902374776.db2.gz 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N#C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccccc1F ZINC000505964739 914624149 /nfs/dbraw/zinc/62/41/49/914624149.db2.gz FBXRVUSQURQJDB-GOSISDBHSA-N 0 0 417.278 4.017 20 30 HIEDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc1 ZINC000487912998 902447665 /nfs/dbraw/zinc/44/76/65/902447665.db2.gz NIJOFYQLSHPFCG-AUUYWEPGSA-N 0 0 415.415 4.357 20 30 HIEDRN Cc1nc(Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)ccc1C#N ZINC000487915191 902447771 /nfs/dbraw/zinc/44/77/71/902447771.db2.gz UYVKARAYHKKRNZ-UHFFFAOYSA-N 0 0 408.506 4.119 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487929817 902459923 /nfs/dbraw/zinc/45/99/23/902459923.db2.gz AYXDLRALBSDTJS-XGWTYTTDSA-N 0 0 406.324 4.114 20 30 HIEDRN N#C[C@H](NC(=O)C1(OCc2ccccc2)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000505966954 914627925 /nfs/dbraw/zinc/62/79/25/914627925.db2.gz XZEVVNRMZYOBAY-IBGZPJMESA-N 0 0 419.308 4.440 20 30 HIEDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000488005170 902525059 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COc1cc(Br)ccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000502450735 911437288 /nfs/dbraw/zinc/43/72/88/911437288.db2.gz KSZRASHRHUDXHI-UHFFFAOYSA-N 0 0 412.205 4.258 20 30 HIEDRN Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nn1-c1cccc(C#N)c1 ZINC000502500470 911503934 /nfs/dbraw/zinc/50/39/34/911503934.db2.gz VQHWPZGMNRXBGF-UHFFFAOYSA-N 0 0 400.438 4.346 20 30 HIEDRN CCOc1ccc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1OCC ZINC000502528236 911532876 /nfs/dbraw/zinc/53/28/76/911532876.db2.gz RBSOOZMLWXNNMA-KRWDZBQOSA-N 0 0 418.497 4.341 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502547721 911554923 /nfs/dbraw/zinc/55/49/23/911554923.db2.gz DEWOQGDUIWZJRJ-UHFFFAOYSA-N 0 0 424.353 4.042 20 30 HIEDRN C[C@H](C(=O)Nc1ccccc1Br)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554582 911561733 /nfs/dbraw/zinc/56/17/33/911561733.db2.gz RQVKVTVATOFFRK-OAHLLOKOSA-N 0 0 410.315 4.437 20 30 HIEDRN COc1ccc(-c2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)cc1 ZINC000502569789 911576127 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HIEDRN N#Cc1ccc(N2CCC[C@@H](N[C@H](C(=O)Nc3ccccc3)c3ccccc3)C2=O)cc1 ZINC000502638888 911672031 /nfs/dbraw/zinc/67/20/31/911672031.db2.gz ZLFSCFZHRWBPSN-RPWUZVMVSA-N 0 0 424.504 4.023 20 30 HIEDRN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000502651050 911692532 /nfs/dbraw/zinc/69/25/32/911692532.db2.gz ASDAAMSBCJGYFY-AWEZNQCLSA-N 0 0 424.751 4.187 20 30 HIEDRN CCc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000502677945 911719967 /nfs/dbraw/zinc/71/99/67/911719967.db2.gz YRLFPZNWUMZWGS-HXUWFJFHSA-N 0 0 412.331 4.034 20 30 HIEDRN COc1c(C)ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000502679097 911720484 /nfs/dbraw/zinc/72/04/84/911720484.db2.gz KQTVHTCEQPHXCB-UHFFFAOYSA-N 0 0 406.486 4.066 20 30 HIEDRN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000502687082 911727528 /nfs/dbraw/zinc/72/75/28/911727528.db2.gz NQAIPSHBAAEJFZ-QFIPXVFZSA-N 0 0 424.566 4.134 20 30 HIEDRN N#Cc1ccc(OC[C@H](O)CN2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000502742855 911766936 /nfs/dbraw/zinc/76/69/36/911766936.db2.gz AYEOZDHRRZIRAX-OFNKIYASSA-N 0 0 420.488 4.054 20 30 HIEDRN CC(C)N(CC(=O)Nc1sccc1C#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000502745614 911769383 /nfs/dbraw/zinc/76/93/83/911769383.db2.gz SSZYGNHLUAGWMY-UHFFFAOYSA-N 0 0 415.906 4.172 20 30 HIEDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000502751266 911772708 /nfs/dbraw/zinc/77/27/08/911772708.db2.gz VTPCVFJAYKJUEI-UHFFFAOYSA-N 0 0 413.499 4.257 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000513294693 921691008 /nfs/dbraw/zinc/69/10/08/921691008.db2.gz APKGKNUQYQIDCJ-IBGZPJMESA-N 0 0 417.534 4.045 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)NCC3(c4cccc(Cl)c4)CC3)CC2)c(F)c1 ZINC000513292909 921691787 /nfs/dbraw/zinc/69/17/87/921691787.db2.gz ZNVVGWWBTFTFOB-UHFFFAOYSA-N 0 0 411.908 4.415 20 30 HIEDRN COc1ccc(C#N)cc1CN(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502794149 911816562 /nfs/dbraw/zinc/81/65/62/911816562.db2.gz VFDAHAHAZVNBPN-UHFFFAOYSA-N 0 0 406.313 4.012 20 30 HIEDRN N#Cc1cn(Cc2cc3c(cc2Br)OCO3)c2ccc(Cl)cc2c1=O ZINC000502819846 911835554 /nfs/dbraw/zinc/83/55/54/911835554.db2.gz NVZOMASSEJEFHI-UHFFFAOYSA-N 0 0 417.646 4.066 20 30 HIEDRN N#Cc1cn(CCOc2cccc(Cl)c2)c2ccc(Br)cc2c1=O ZINC000502835854 911848627 /nfs/dbraw/zinc/84/86/27/911848627.db2.gz IPKGEXKWCSNBTF-UHFFFAOYSA-N 0 0 403.663 4.368 20 30 HIEDRN N#Cc1cn(CCOc2ccc(Br)cc2)c2ccc(Cl)cc2c1=O ZINC000502851397 911861488 /nfs/dbraw/zinc/86/14/88/911861488.db2.gz LJAUGFAPORODSZ-UHFFFAOYSA-N 0 0 403.663 4.368 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCCC[C@H]2C(F)F)c1C#N ZINC000502864894 911871035 /nfs/dbraw/zinc/87/10/35/911871035.db2.gz WSTQOULJBCQIRU-IBGZPJMESA-N 0 0 400.473 4.083 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000502912910 911898920 /nfs/dbraw/zinc/89/89/20/911898920.db2.gz FKAZYARGFVHBPP-OALUTQOASA-N 0 0 415.356 4.474 20 30 HIEDRN CCCNc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000502914362 911900136 /nfs/dbraw/zinc/90/01/36/911900136.db2.gz WIIYKVDAEDFFRS-UHFFFAOYSA-N 0 0 410.493 4.272 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)NCCSCc2ccccc2C#N)c(Cl)c1 ZINC000502914235 911900676 /nfs/dbraw/zinc/90/06/76/911900676.db2.gz YQPUZTKWJRFRRT-UHFFFAOYSA-N 0 0 416.930 4.233 20 30 HIEDRN Cc1cc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)nn1-c1cccc(C#N)c1 ZINC000502937052 911923245 /nfs/dbraw/zinc/92/32/45/911923245.db2.gz USIKONHFQPODPH-HXUWFJFHSA-N 0 0 422.435 4.461 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000503021143 911992067 /nfs/dbraw/zinc/99/20/67/911992067.db2.gz QJNLJEBEIGDRCQ-DEOSSOPVSA-N 0 0 408.498 4.143 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000503036379 912006173 /nfs/dbraw/zinc/00/61/73/912006173.db2.gz CUJJWLOCIKYWIE-HXUWFJFHSA-N 0 0 421.469 4.212 20 30 HIEDRN COc1cccc(C2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)c1 ZINC000503039341 912008656 /nfs/dbraw/zinc/00/86/56/912008656.db2.gz PMLDZFKQDGOXNM-UHFFFAOYSA-N 0 0 400.482 4.081 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503063635 912027725 /nfs/dbraw/zinc/02/77/25/912027725.db2.gz OGPRPLWKXIMNSN-VGOFRKELSA-N 0 0 422.577 4.200 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000503062798 912028125 /nfs/dbraw/zinc/02/81/25/912028125.db2.gz DYSULHMIPSQKDU-UHFFFAOYSA-N 0 0 410.473 4.311 20 30 HIEDRN Cn1c2ccccc2nc1-c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 ZINC000503068948 912035042 /nfs/dbraw/zinc/03/50/42/912035042.db2.gz OGUXNGIVUPWIHP-DEOSSOPVSA-N 0 0 418.497 4.440 20 30 HIEDRN CC(C)c1nccn1Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000503083397 912053275 /nfs/dbraw/zinc/05/32/75/912053275.db2.gz CNQIBYXXUKKWLV-HSZRJFAPSA-N 0 0 410.518 4.255 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000503085927 912057193 /nfs/dbraw/zinc/05/71/93/912057193.db2.gz SUHOMFIUDBWWEP-OAHLLOKOSA-N 0 0 411.333 4.118 20 30 HIEDRN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)O1 ZINC000503168304 912139571 /nfs/dbraw/zinc/13/95/71/912139571.db2.gz HTELWSHOBBLYIM-LYOVBCGYSA-N 0 0 409.433 4.376 20 30 HIEDRN CCN(C(=O)c1csc(I)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000503182416 912155980 /nfs/dbraw/zinc/15/59/80/912155980.db2.gz VJEAAEOQFXGERW-LLVKDONJSA-N 0 0 410.280 4.448 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000503190122 912168291 /nfs/dbraw/zinc/16/82/91/912168291.db2.gz JCJLTENNXYWPMK-UHFFFAOYSA-N 0 0 420.900 4.464 20 30 HIEDRN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C12CCCCC2 ZINC000513342306 921726669 /nfs/dbraw/zinc/72/66/69/921726669.db2.gz DETFPVYSULULSF-FGZHOGPDSA-N 0 0 413.537 4.158 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000503223269 912205052 /nfs/dbraw/zinc/20/50/52/912205052.db2.gz YLWPGJPXEFZDMK-OAHLLOKOSA-N 0 0 412.515 4.049 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2F)cc1 ZINC000503224229 912205704 /nfs/dbraw/zinc/20/57/04/912205704.db2.gz 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C=C(C)COc1cccc(NC(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000506402864 915016621 /nfs/dbraw/zinc/01/66/21/915016621.db2.gz NFFUKCZWFNADLH-IBGZPJMESA-N 0 0 421.476 4.176 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000506402865 915017616 /nfs/dbraw/zinc/01/76/16/915017616.db2.gz NFFUKCZWFNADLH-LJQANCHMSA-N 0 0 421.476 4.176 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCCC[C@H]2C(F)F)cc1F ZINC000506421889 915028521 /nfs/dbraw/zinc/02/85/21/915028521.db2.gz AOCZCFSORZTFNC-INIZCTEOSA-N 0 0 417.387 4.074 20 30 HIEDRN CCN(CCC#N)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000506480757 915086175 /nfs/dbraw/zinc/08/61/75/915086175.db2.gz LMJQFQBEVXLNLA-UHFFFAOYSA-N 0 0 404.514 4.351 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1)c1ccc(C#N)cc1 ZINC000506494473 915101414 /nfs/dbraw/zinc/10/14/14/915101414.db2.gz FAYNBJQDRFTLRT-AWEZNQCLSA-N 0 0 420.856 4.215 20 30 HIEDRN CCc1c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000506507129 915129106 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HIEDRN Cc1ccc(Cc2nc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cs2)cc1 ZINC000507284791 916051578 /nfs/dbraw/zinc/05/15/78/916051578.db2.gz OKPOENULEDWCRS-UHFFFAOYSA-N 0 0 420.513 4.016 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000507287420 916054809 /nfs/dbraw/zinc/05/48/09/916054809.db2.gz ZOZOQZBQJLDQCT-HTAPYJJXSA-N 0 0 400.482 4.469 20 30 HIEDRN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2C#N)CC1 ZINC000507317085 916075822 /nfs/dbraw/zinc/07/58/22/916075822.db2.gz JJLQJQCTAZRCLS-AWEZNQCLSA-N 0 0 403.313 4.014 20 30 HIEDRN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000507340302 916095243 /nfs/dbraw/zinc/09/52/43/916095243.db2.gz KUNDRFWLFFDPNK-IBGZPJMESA-N 0 0 420.578 4.263 20 30 HIEDRN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000507345042 916099159 /nfs/dbraw/zinc/09/91/59/916099159.db2.gz FPLGFFRDAHBKOT-SECBINFHSA-N 0 0 420.479 4.231 20 30 HIEDRN Cc1nc(-c2ccc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)cc2Cl)n[nH]1 ZINC000507370258 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COc1cc([C@H](C#N)NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000537856623 938391613 /nfs/dbraw/zinc/39/16/13/938391613.db2.gz GZKFWGRBOGJLBK-KDOFPFPSSA-N 0 0 416.905 4.316 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)cc1 ZINC000537997806 938456983 /nfs/dbraw/zinc/45/69/83/938456983.db2.gz KNXZZTIPYANLAR-UHFFFAOYSA-N 0 0 406.445 4.318 20 30 HIEDRN Cc1cc([C@@H](C#N)C(=O)c2cc(Br)cc(Br)c2)nc(C)n1 ZINC000538044613 938480153 /nfs/dbraw/zinc/48/01/53/938480153.db2.gz HLDQZMFZOXTVSN-CYBMUJFWSA-N 0 0 409.081 4.109 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000538108447 938504360 /nfs/dbraw/zinc/50/43/60/938504360.db2.gz XRTIUBSOAUARFW-VWLOTQADSA-N 0 0 411.505 4.417 20 30 HIEDRN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538196362 938549322 /nfs/dbraw/zinc/54/93/22/938549322.db2.gz CUHUUKXXOLHCCR-INIZCTEOSA-N 0 0 424.464 4.106 20 30 HIEDRN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538196363 938549644 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C=CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000539034454 938775730 /nfs/dbraw/zinc/77/57/30/938775730.db2.gz FUBNNKKJRWMLIG-UHFFFAOYSA-N 0 0 403.276 4.014 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000539095161 938802000 /nfs/dbraw/zinc/80/20/00/938802000.db2.gz LKSKCSCNFWWUBT-OAQYLSRUSA-N 0 0 420.310 4.304 20 30 HIEDRN COc1ccc(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1[N+](=O)[O-] ZINC000539100803 938802991 /nfs/dbraw/zinc/80/29/91/938802991.db2.gz DREZOJKYUVQRGQ-UHFFFAOYSA-N 0 0 401.422 4.001 20 30 HIEDRN C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000539113187 938805030 /nfs/dbraw/zinc/80/50/30/938805030.db2.gz XWTZYMXUOPSCCT-SQJMNOBHSA-N 0 0 412.537 4.314 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)Nc2ccccc2Cn2cncn2)cc1 ZINC000539127165 938807312 /nfs/dbraw/zinc/80/73/12/938807312.db2.gz RSVYOIQPDGAMDE-UHFFFAOYSA-N 0 0 408.465 4.187 20 30 HIEDRN COC[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(F)c(F)c1 ZINC000539145687 938810969 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4.208 20 30 HIEDRN N#CC1(CCCSc2n[nH]c(-c3ccccc3Br)n2)CCOCC1 ZINC000539670067 938898121 /nfs/dbraw/zinc/89/81/21/938898121.db2.gz ICTZIYPYNIAMOU-UHFFFAOYSA-N 0 0 407.337 4.427 20 30 HIEDRN Cc1cc(NC(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)nn1CCC#N ZINC000539718610 938911451 /nfs/dbraw/zinc/91/14/51/938911451.db2.gz YZJHYCHVAKAYEW-UHFFFAOYSA-N 0 0 409.412 4.233 20 30 HIEDRN N#Cc1cccc(C2(C(=O)N3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)CC2)c1 ZINC000539741549 938918179 /nfs/dbraw/zinc/91/81/79/938918179.db2.gz JQMCYNLBZPVRMP-IBGZPJMESA-N 0 0 403.530 4.162 20 30 HIEDRN COc1ccc(OCc2nnc(SCC3(C#N)CC3)n2-c2ccccc2F)cc1 ZINC000539759845 938925842 /nfs/dbraw/zinc/92/58/42/938925842.db2.gz NBVZJOLURULOFR-UHFFFAOYSA-N 0 0 410.474 4.390 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)c1 ZINC000539763010 938928135 /nfs/dbraw/zinc/92/81/35/938928135.db2.gz FJRKDZBZJMONEB-IBGZPJMESA-N 0 0 417.517 4.154 20 30 HIEDRN COc1ccccc1N1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000539797781 938937220 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ZINC000563633922 945227769 /nfs/dbraw/zinc/22/77/69/945227769.db2.gz PRMNPZHHKYOSDM-UHFFFAOYSA-N 0 0 416.323 4.032 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)NCc2cccc3c2OCCCO3)cc1 ZINC000540279948 939181208 /nfs/dbraw/zinc/18/12/08/939181208.db2.gz CVNYOURKIUWFAW-UHFFFAOYSA-N 0 0 413.477 4.386 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000540292503 939184577 /nfs/dbraw/zinc/18/45/77/939184577.db2.gz WHXWGBDZENSKKU-QPTUXGOLSA-N 0 0 423.472 4.134 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)c2c(F)cccc2F)c1C#N ZINC000540323210 939194306 /nfs/dbraw/zinc/19/43/06/939194306.db2.gz CQWOQNOPQDXMQC-CQSZACIVSA-N 0 0 412.440 4.185 20 30 HIEDRN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540389496 939227300 /nfs/dbraw/zinc/22/73/00/939227300.db2.gz CTKDDLWGXNOLSU-MRXNPFEDSA-N 0 0 424.464 4.106 20 30 HIEDRN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc(F)cc1F ZINC000540389933 939227566 /nfs/dbraw/zinc/22/75/66/939227566.db2.gz JPKPFRJUKRABQY-KXBFYZLASA-N 0 0 401.457 4.349 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)COc2ccc(F)c(Br)c2)cc1 ZINC000540507383 939281391 /nfs/dbraw/zinc/28/13/91/939281391.db2.gz OSAFSJYEYRMCLK-UHFFFAOYSA-N 0 0 421.266 4.313 20 30 HIEDRN COC(=O)c1ccccc1CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000540508887 939281697 /nfs/dbraw/zinc/28/16/97/939281697.db2.gz KZEWENRDGDNBIH-UHFFFAOYSA-N 0 0 401.422 4.022 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C ZINC000540532085 939292809 /nfs/dbraw/zinc/29/28/09/939292809.db2.gz LKUQXRATOFOUEC-KRWDZBQOSA-N 0 0 416.543 4.279 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000540579021 939310444 /nfs/dbraw/zinc/31/04/44/939310444.db2.gz QNZDKXLTPUUFCN-WIYYLYMNSA-N 0 0 408.571 4.008 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(C)cc1 ZINC000540742079 939355094 /nfs/dbraw/zinc/35/50/94/939355094.db2.gz KRIZVPQYJKALIC-IBGZPJMESA-N 0 0 414.387 4.382 20 30 HIEDRN Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(F)(F)F ZINC000540817333 939382639 /nfs/dbraw/zinc/38/26/39/939382639.db2.gz QUCHSANGSIMREJ-KRWDZBQOSA-N 0 0 409.412 4.121 20 30 HIEDRN Cn1ncc2c1C[C@@H](C(=O)Nc1ccc([C@H](C#N)c3ccccc3)c(Cl)c1)CC2 ZINC000540838961 939390430 /nfs/dbraw/zinc/39/04/30/939390430.db2.gz KENAYEBFONJABN-OXJNMPFZSA-N 0 0 404.901 4.473 20 30 HIEDRN CC(C)N(CC1CCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000563679792 945251057 /nfs/dbraw/zinc/25/10/57/945251057.db2.gz WMBNLKDGOXQPIQ-UHFFFAOYSA-N 0 0 409.461 4.465 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000540864235 939401375 /nfs/dbraw/zinc/40/13/75/939401375.db2.gz QRNWGOGIWCUVCW-UHFFFAOYSA-N 0 0 413.477 4.435 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)c1 ZINC000540886234 939409683 /nfs/dbraw/zinc/40/96/83/939409683.db2.gz MXERYHRALUMTOB-KRWDZBQOSA-N 0 0 413.518 4.450 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)Cn2cnc3c2CCCC3)cc1 ZINC000540885116 939409751 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HIEDRN N#Cc1ccc(NC(=O)N[C@@H](CCO)c2ccccc2Br)c(Cl)c1 ZINC000541041145 939438550 /nfs/dbraw/zinc/43/85/50/939438550.db2.gz GPDRLJXGXPCNNC-HNNXBMFYSA-N 0 0 408.683 4.219 20 30 HIEDRN N#CCC1CCN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1 ZINC000541046386 939440490 /nfs/dbraw/zinc/44/04/90/939440490.db2.gz ATXYSABPZIGATK-UHFFFAOYSA-N 0 0 400.276 4.402 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000541069746 939449429 /nfs/dbraw/zinc/44/94/29/939449429.db2.gz JIOKTYLTRWAXHJ-HZPDHXFCSA-N 0 0 404.470 4.126 20 30 HIEDRN CC(=O)Nc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)nc1 ZINC000541073204 939450833 /nfs/dbraw/zinc/45/08/33/939450833.db2.gz RKQZFCPLWZCSRV-UHFFFAOYSA-N 0 0 404.857 4.412 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3OCc3cscn3)n2)c(F)c1 ZINC000541072867 939450898 /nfs/dbraw/zinc/45/08/98/939450898.db2.gz KRWQKAVHKSUAOG-UHFFFAOYSA-N 0 0 419.441 4.171 20 30 HIEDRN C[C@H](NC(=O)CNc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc(Cl)cc1 ZINC000541076169 939451887 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Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000546729505 940873815 /nfs/dbraw/zinc/87/38/15/940873815.db2.gz ZBKWXYQYHRISKV-KRWDZBQOSA-N 0 0 400.360 4.074 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000546763761 940878883 /nfs/dbraw/zinc/87/88/83/940878883.db2.gz BXWGJKCGNXWPEK-LJQANCHMSA-N 0 0 400.548 4.168 20 30 HIEDRN CN(CCCCCc1cc(-c2ccccc2)no1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546776416 940881125 /nfs/dbraw/zinc/88/11/25/940881125.db2.gz KLXQKKKUKNJWEG-UHFFFAOYSA-N 0 0 415.559 4.400 20 30 HIEDRN Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000546868057 940898172 /nfs/dbraw/zinc/89/81/72/940898172.db2.gz LZOYFTHTOHRVIX-UHFFFAOYSA-N 0 0 411.412 4.385 20 30 HIEDRN COc1ccccc1C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000546892242 940903662 /nfs/dbraw/zinc/90/36/62/940903662.db2.gz WJPVGLNRWPCTNY-UHFFFAOYSA-N 0 0 400.434 4.162 20 30 HIEDRN Cc1ccccc1C(NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1C ZINC000546923299 940913896 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COc1ccc(Cc2noc(-c3ccc(CC#N)cc3)n2)c(Br)c1OC ZINC000547061873 940979245 /nfs/dbraw/zinc/97/92/45/940979245.db2.gz FMLBRUDGFHWKOU-UHFFFAOYSA-N 0 0 414.259 4.173 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc([C@@H](C)Oc3ccc(CCC(C)=O)cc3)n2)c1 ZINC000547062545 940979788 /nfs/dbraw/zinc/97/97/88/940979788.db2.gz PZBAGRIBBTXCBH-QGZVFWFLSA-N 0 0 419.481 4.314 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(/C=C\c3ccc(OCC=C)c(OC)c3)n2)c1 ZINC000547068971 940982523 /nfs/dbraw/zinc/98/25/23/940982523.db2.gz GNFBCIDZHOEWHV-BENRWUELSA-N 0 0 417.465 4.396 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(CCc3ncc(-c4ccccc4F)o3)n2)c1 ZINC000547072926 940983959 /nfs/dbraw/zinc/98/39/59/940983959.db2.gz UWIAREWVAOMLEV-UHFFFAOYSA-N 0 0 418.428 4.232 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(-c2nc([C@H]3CC(=O)N(C4CC4)C3)no2)cc1 ZINC000547131972 941006898 /nfs/dbraw/zinc/00/68/98/941006898.db2.gz IRPJSDNICNAVHI-INIZCTEOSA-N 0 0 402.479 4.238 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3cnc4ccsc4c3)no2)cc1 ZINC000547135340 941007668 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941094973 /nfs/dbraw/zinc/09/49/73/941094973.db2.gz VYOKFZDOEWQNBG-MGPUTAFESA-N 0 0 415.449 4.322 20 30 HIEDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)cc1 ZINC000548304903 941094975 /nfs/dbraw/zinc/09/49/75/941094975.db2.gz PIRFXVDFBUDVEW-INIZCTEOSA-N 0 0 410.905 4.194 20 30 HIEDRN N#C[C@H]1N(C(=O)CCc2nc3cc(Cl)ccc3s2)CCC[C@]12CCCCO2 ZINC000548401234 941099942 /nfs/dbraw/zinc/09/99/42/941099942.db2.gz WRTLWFDZEYTCMB-YLJYHZDGSA-N 0 0 403.935 4.336 20 30 HIEDRN N#CCC1CCN(C(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000548460688 941105257 /nfs/dbraw/zinc/10/52/57/941105257.db2.gz CKNWARFORZFBLZ-IBGZPJMESA-N 0 0 404.352 4.496 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)o2)cc1 ZINC000548643219 941117728 /nfs/dbraw/zinc/11/77/28/941117728.db2.gz QOMIOOXFGJBXKA-QFIPXVFZSA-N 0 0 424.403 4.222 20 30 HIEDRN Cn1cc(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)c2ccc(Cl)cc21 ZINC000548759996 941123058 /nfs/dbraw/zinc/12/30/58/941123058.db2.gz SQELFTBACBFROP-UHFFFAOYSA-N 0 0 421.932 4.036 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000548774630 941123451 /nfs/dbraw/zinc/12/34/51/941123451.db2.gz ITUFCAQBISNWPN-UHFFFAOYSA-N 0 0 416.506 4.093 20 30 HIEDRN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548798333 941124449 /nfs/dbraw/zinc/12/44/49/941124449.db2.gz DVNCGLMPSQZOEY-SFHVURJKSA-N 0 0 404.297 4.160 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Oc4ccccc4)cn3)CC2)cc1 ZINC000548826993 941125560 /nfs/dbraw/zinc/12/55/60/941125560.db2.gz YWUILNJJAJZMSA-UHFFFAOYSA-N 0 0 412.493 4.094 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000548835918 941125988 /nfs/dbraw/zinc/12/59/88/941125988.db2.gz ZAPSDJGAWJNXQH-UHFFFAOYSA-N 0 0 403.457 4.497 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000548839343 941126077 /nfs/dbraw/zinc/12/60/77/941126077.db2.gz MNKXODCQUMFPRE-UHFFFAOYSA-N 0 0 416.550 4.448 20 30 HIEDRN CCCOc1c(Cl)cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OC ZINC000548840810 941126087 /nfs/dbraw/zinc/12/60/87/941126087.db2.gz CFXIGJBEUDQXSB-UHFFFAOYSA-N 0 0 413.905 4.230 20 30 HIEDRN C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(OC(C)C)CC1 ZINC000548840464 941126171 /nfs/dbraw/zinc/12/61/71/941126171.db2.gz QLJCCUKWNYLQSE-UHFFFAOYSA-N 0 0 414.550 4.321 20 30 HIEDRN C=CCn1c(C2CCCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000548837770 941126184 /nfs/dbraw/zinc/12/61/84/941126184.db2.gz IOUAMKOQGZKTPU-UHFFFAOYSA-N 0 0 407.349 4.150 20 30 HIEDRN C=CCn1c(COc2ccccc2CC)nnc1N1CCC(C2CCOCC2)CC1 ZINC000548850594 941126538 /nfs/dbraw/zinc/12/65/38/941126538.db2.gz KLDLPVNWDNQALP-UHFFFAOYSA-N 0 0 410.562 4.249 20 30 HIEDRN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000548854392 941126711 /nfs/dbraw/zinc/12/67/11/941126711.db2.gz KBNFSJROTCPJBY-DENIHFKCSA-N 0 0 410.562 4.028 20 30 HIEDRN C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCO[C@H](COC(C)C)C1 ZINC000548855360 941126938 /nfs/dbraw/zinc/12/69/38/941126938.db2.gz DWDMAIALWYLDIX-HNNXBMFYSA-N 0 0 411.333 4.068 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548864845 941127186 /nfs/dbraw/zinc/12/71/86/941127186.db2.gz MAAJOOVGBBASIA-CQSZACIVSA-N 0 0 403.313 4.273 20 30 HIEDRN Cc1cc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)ccc1OC1CCOCC1 ZINC000548882072 941127781 /nfs/dbraw/zinc/12/77/81/941127781.db2.gz UGMKGOOORMSBML-UHFFFAOYSA-N 0 0 420.513 4.037 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000548954713 941133628 /nfs/dbraw/zinc/13/36/28/941133628.db2.gz PMNQIKUMQHOHHV-LJQANCHMSA-N 0 0 417.469 4.292 20 30 HIEDRN CC(C)N(CCOCCO)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000548974053 941137015 /nfs/dbraw/zinc/13/70/15/941137015.db2.gz IAGBTLGEHHXBOS-FQEVSTJZSA-N 0 0 415.921 4.247 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1nnn(Cc2ccc(F)cc2)c1CC ZINC000549029803 941145797 /nfs/dbraw/zinc/14/57/97/941145797.db2.gz QVVBBOOHPJNCQQ-UHFFFAOYSA-N 0 0 411.456 4.387 20 30 HIEDRN CCn1c([C@@H]2Cc3ccccc3CN2Cc2ccccc2)nnc1N(C)C[C@@H](C)C#N ZINC000549039609 941147594 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Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000549200477 941170633 /nfs/dbraw/zinc/17/06/33/941170633.db2.gz FBQROVHQJZFQIU-PKTZIBPZSA-N 0 0 409.493 4.496 20 30 HIEDRN CCN(Cc1ccccc1Br)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549245087 941173721 /nfs/dbraw/zinc/17/37/21/941173721.db2.gz QXRUKVKOKBDYIA-UHFFFAOYSA-N 0 0 412.209 4.397 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 ZINC000549249587 941174030 /nfs/dbraw/zinc/17/40/30/941174030.db2.gz GBXVPYXWKPILEL-FQEVSTJZSA-N 0 0 409.578 4.216 20 30 HIEDRN C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000549250101 941174191 /nfs/dbraw/zinc/17/41/91/941174191.db2.gz RXSZZKPWIWRHBP-KRWDZBQOSA-N 0 0 408.468 4.427 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)C[C@H]1CCCOC1 ZINC000549250670 941174210 /nfs/dbraw/zinc/17/42/10/941174210.db2.gz HQKIHYYBWFXMNF-RTBURBONSA-N 0 0 414.550 4.256 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)CCc1ncc(C)s1 ZINC000549252174 941174271 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Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000550717987 941358962 /nfs/dbraw/zinc/35/89/62/941358962.db2.gz YGMVPSJVKZQFPH-UHFFFAOYSA-N 0 0 420.856 4.071 20 30 HIEDRN C[C@](C#N)(NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CCCCC1 ZINC000550747712 941362614 /nfs/dbraw/zinc/36/26/14/941362614.db2.gz KAKVILUUHYNEJH-MGPUTAFESA-N 0 0 408.468 4.296 20 30 HIEDRN N#Cc1ccc(CN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000550777489 941365731 /nfs/dbraw/zinc/36/57/31/941365731.db2.gz FCVZJRITTZJCLE-UHFFFAOYSA-N 0 0 404.445 4.269 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000550817458 941370655 /nfs/dbraw/zinc/37/06/55/941370655.db2.gz WGFPVSPCANTHQR-UHFFFAOYSA-N 0 0 418.324 4.166 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1C#N ZINC000550832917 941372330 /nfs/dbraw/zinc/37/23/30/941372330.db2.gz QCYBAVDSKPCAMT-NNUKFRKNSA-N 0 0 417.481 4.196 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000550907509 941380939 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941457318 /nfs/dbraw/zinc/45/73/18/941457318.db2.gz NZCVWLFQDHCZNW-UHFFFAOYSA-N 0 0 418.488 4.314 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(C2CC2)cc1F ZINC000551345611 941457846 /nfs/dbraw/zinc/45/78/46/941457846.db2.gz IYHFAGHOEPVXLT-AWEZNQCLSA-N 0 0 411.502 4.210 20 30 HIEDRN C=CCn1c(SCC(=O)c2ccncc2Cl)nnc1-c1ccc(OC)cc1 ZINC000551414081 941473915 /nfs/dbraw/zinc/47/39/15/941473915.db2.gz OHOYQZSDPDKNSN-UHFFFAOYSA-N 0 0 400.891 4.163 20 30 HIEDRN COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc(Br)c1OC ZINC000551456550 941483742 /nfs/dbraw/zinc/48/37/42/941483742.db2.gz JDKRALRAQTXBEX-UHFFFAOYSA-N 0 0 407.289 4.140 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)c2)cc1 ZINC000551485498 941488477 /nfs/dbraw/zinc/48/84/77/941488477.db2.gz VRUGRECBGXZMHF-NRFANRHFSA-N 0 0 418.474 4.250 20 30 HIEDRN COc1cccc(Cn2c(NC(=O)c3ccc(F)c(C#N)c3)nc3ccccc32)c1 ZINC000551488675 941488881 /nfs/dbraw/zinc/48/88/81/941488881.db2.gz QBLKWYGHYVNXPX-UHFFFAOYSA-N 0 0 400.413 4.356 20 30 HIEDRN CCc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)cc1 ZINC000551502837 941490996 /nfs/dbraw/zinc/49/09/96/941490996.db2.gz ZSBLIFWGOPVYAQ-FXAWDEMLSA-N 0 0 421.566 4.455 20 30 HIEDRN Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)cc1 ZINC000551511427 941492261 /nfs/dbraw/zinc/49/22/61/941492261.db2.gz LRCUZVLGXMZJFD-UHFFFAOYSA-N 0 0 411.461 4.403 20 30 HIEDRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)c1 ZINC000551536422 941497261 /nfs/dbraw/zinc/49/72/61/941497261.db2.gz NFVPSYXWMCSZLB-UHFFFAOYSA-N 0 0 410.426 4.145 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC(C)(C)C(C)(C)C)cc1 ZINC000551562925 941502125 /nfs/dbraw/zinc/50/21/25/941502125.db2.gz FBTRWCRSVGTTBQ-UHFFFAOYSA-N 0 0 409.486 4.239 20 30 HIEDRN COc1cc2nc(C)sc2cc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000551597690 941509145 /nfs/dbraw/zinc/50/91/45/941509145.db2.gz UDPWSMOQHCCOIN-MRXNPFEDSA-N 0 0 422.510 4.103 20 30 HIEDRN N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1-n1cccn1)c1ccccc1 ZINC000551599037 941509715 /nfs/dbraw/zinc/50/97/15/941509715.db2.gz QBILYNMOSGCOIO-SFHVURJKSA-N 0 0 421.888 4.016 20 30 HIEDRN CC[C@@H](C)n1c(SCC(=O)N(C2CC2)C2(C#N)CCC2)nnc1-c1ccccc1 ZINC000551656413 941520199 /nfs/dbraw/zinc/52/01/99/941520199.db2.gz UXNDHRXMUONSQZ-MRXNPFEDSA-N 0 0 409.559 4.445 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCC(F)(c4cccnc4)CC3)o2)cc1 ZINC000551661870 941521017 /nfs/dbraw/zinc/52/10/17/941521017.db2.gz CVGLGRDRIYEKME-UHFFFAOYSA-N 0 0 405.429 4.226 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000551706077 941530261 /nfs/dbraw/zinc/53/02/61/941530261.db2.gz URGQJNKXLLRRJC-UHFFFAOYSA-N 0 0 407.886 4.627 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN[C@@H](c3cncc(Br)c3)C3CC3)o2)c1 ZINC000551721462 941533131 /nfs/dbraw/zinc/53/31/31/941533131.db2.gz WCBXJCRALXGHAM-GOSISDBHSA-N 0 0 410.275 4.007 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)CCN(Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000551723250 941534028 /nfs/dbraw/zinc/53/40/28/941534028.db2.gz YYGIQQCGGSCDQR-UHFFFAOYSA-N 0 0 422.575 4.063 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000551741805 941537304 /nfs/dbraw/zinc/53/73/04/941537304.db2.gz GPXIMXFJEQKCIQ-FQEVSTJZSA-N 0 0 417.534 4.045 20 30 HIEDRN Cc1ccc(Oc2ccccc2NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551774633 941542957 /nfs/dbraw/zinc/54/29/57/941542957.db2.gz FTNQNBJGYLPVAL-UHFFFAOYSA-N 0 0 411.461 4.403 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000551791057 941545529 /nfs/dbraw/zinc/54/55/29/941545529.db2.gz LZEKBNMBUXCPCZ-HXUWFJFHSA-N 0 0 400.519 4.450 20 30 HIEDRN C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)cc1Cl ZINC000551815904 941551406 /nfs/dbraw/zinc/55/14/06/941551406.db2.gz FAYOBYAPBAGFPV-QKFKETGDSA-N 0 0 422.916 4.287 20 30 HIEDRN N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 ZINC000551831373 941554586 /nfs/dbraw/zinc/55/45/86/941554586.db2.gz CPDWLGRBPYNELH-INIZCTEOSA-N 0 0 421.831 4.431 20 30 HIEDRN CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000551831680 941555142 /nfs/dbraw/zinc/55/51/42/941555142.db2.gz OFWZMSAIHUJTTC-LJQANCHMSA-N 0 0 421.497 4.132 20 30 HIEDRN CC[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)sc2C1 ZINC000551831772 941555335 /nfs/dbraw/zinc/55/53/35/941555335.db2.gz ROTZJHVTRRJARU-RDJZCZTQSA-N 0 0 410.543 4.148 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccc1Br ZINC000551857203 941558643 /nfs/dbraw/zinc/55/86/43/941558643.db2.gz UNVACNUDTPTMNJ-GOSISDBHSA-N 0 0 424.298 4.013 20 30 HIEDRN COc1ccc(SCCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000552009854 941568358 /nfs/dbraw/zinc/56/83/58/941568358.db2.gz ARXKBRUUBVXYNK-QGZVFWFLSA-N 0 0 410.417 4.457 20 30 HIEDRN Cc1ccccc1-c1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n(C)n1 ZINC000552075932 941580669 /nfs/dbraw/zinc/58/06/69/941580669.db2.gz PAPYMTPJSWBBOZ-UHFFFAOYSA-N 0 0 417.488 4.261 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2cc(C#N)ccc2NCC)nnc1-c1ccco1 ZINC000552109202 941586141 /nfs/dbraw/zinc/58/61/41/941586141.db2.gz JSDILOPZPUSTLD-UHFFFAOYSA-N 0 0 422.514 4.148 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)n2)cc1 ZINC000552106064 941586163 /nfs/dbraw/zinc/58/61/63/941586163.db2.gz VFFPXESEFCQLFZ-CQSZACIVSA-N 0 0 404.445 4.219 20 30 HIEDRN CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000552111773 941586930 /nfs/dbraw/zinc/58/69/30/941586930.db2.gz WMAMQKFJTBUHGD-GOSISDBHSA-N 0 0 415.287 4.192 20 30 HIEDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C4(c5cc(F)cc(C#N)c5)CC4)C3)nc2c1 ZINC000552118665 941588950 /nfs/dbraw/zinc/58/89/50/941588950.db2.gz QZDQXHILKQITDD-QGZVFWFLSA-N 0 0 402.473 4.320 20 30 HIEDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000552208778 941602449 /nfs/dbraw/zinc/60/24/49/941602449.db2.gz CNYSEYCLAYTPMD-HNNXBMFYSA-N 0 0 402.420 4.014 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC3CCN(CC(F)(F)F)CC3)c2)cc1 ZINC000552281083 941621446 /nfs/dbraw/zinc/62/14/46/941621446.db2.gz FTIDZCJHISBBHP-UHFFFAOYSA-N 0 0 418.419 4.499 20 30 HIEDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)c3ncc(C#N)cc3Cl)cc2)c1 ZINC000552311267 941629049 /nfs/dbraw/zinc/62/90/49/941629049.db2.gz CPHYJFJEBKSXDO-UHFFFAOYSA-N 0 0 423.856 4.346 20 30 HIEDRN Cc1cc(Oc2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2)n[nH]1 ZINC000552323769 941631956 /nfs/dbraw/zinc/63/19/56/941631956.db2.gz QOYPRQIRBAUEBX-UHFFFAOYSA-N 0 0 419.460 4.376 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)c(F)c1 ZINC000552343577 941638738 /nfs/dbraw/zinc/63/87/38/941638738.db2.gz JKDYDJCXJNEEET-UHFFFAOYSA-N 0 0 403.457 4.101 20 30 HIEDRN Cc1cc(Br)cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000552345594 941639592 /nfs/dbraw/zinc/63/95/92/941639592.db2.gz GEEFPGVTOYQSEC-UHFFFAOYSA-N 0 0 417.278 4.452 20 30 HIEDRN N#CCC[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000552370183 941647059 /nfs/dbraw/zinc/64/70/59/941647059.db2.gz VPUQDMFMCIVVBA-LJQANCHMSA-N 0 0 404.919 4.055 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)c(F)c1 ZINC000552372207 941648094 /nfs/dbraw/zinc/64/80/94/941648094.db2.gz XKTYCYTWWVGKDL-UHFFFAOYSA-N 0 0 411.864 4.445 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000552376706 941648825 /nfs/dbraw/zinc/64/88/25/941648825.db2.gz UFXBKQYFGREEBT-IBGZPJMESA-N 0 0 405.542 4.168 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000552389313 941654011 /nfs/dbraw/zinc/65/40/11/941654011.db2.gz VRKSFNJATDWFFR-JOCHJYFZSA-N 0 0 417.509 4.109 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H]2CC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl ZINC000552411173 941661893 /nfs/dbraw/zinc/66/18/93/941661893.db2.gz OWKKBCFVKDMTGP-NHYWBVRUSA-N 0 0 411.358 4.445 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000552429414 941668586 /nfs/dbraw/zinc/66/85/86/941668586.db2.gz BZMQXQWXKSIKJF-VQTJNVASSA-N 0 0 403.860 4.444 20 30 HIEDRN Cc1ccc(I)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000552459714 941676181 /nfs/dbraw/zinc/67/61/81/941676181.db2.gz HSVDROIUEYOUFP-UHFFFAOYSA-N 0 0 420.225 4.281 20 30 HIEDRN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC000552491711 941687191 /nfs/dbraw/zinc/68/71/91/941687191.db2.gz NTSLRWGFFPFHEJ-QMMMGPOBSA-N 0 0 409.305 4.015 20 30 HIEDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000552544665 941702790 /nfs/dbraw/zinc/70/27/90/941702790.db2.gz ATGBBRBUWYCMTR-IAGOWNOFSA-N 0 0 404.436 4.232 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000552565667 941709361 /nfs/dbraw/zinc/70/93/61/941709361.db2.gz ARUTYYYUJGNEDO-GFCCVEGCSA-N 0 0 409.895 4.334 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000552576889 941711488 /nfs/dbraw/zinc/71/14/88/941711488.db2.gz USDYMXQNNXCGFY-UHFFFAOYSA-N 0 0 419.510 4.043 20 30 HIEDRN C=CCOc1ccc(CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)cc1 ZINC000552580643 941712295 /nfs/dbraw/zinc/71/22/95/941712295.db2.gz PTQAVPKAUXLNLA-UHFFFAOYSA-N 0 0 414.933 4.497 20 30 HIEDRN COCCC[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000552584378 941714132 /nfs/dbraw/zinc/71/41/32/941714132.db2.gz CINGEQVRDRJIRN-QFBILLFUSA-N 0 0 400.906 4.306 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1 ZINC000552587747 941716535 /nfs/dbraw/zinc/71/65/35/941716535.db2.gz WMMHFVOVAPVNJN-UHFFFAOYSA-N 0 0 408.465 4.178 20 30 HIEDRN CNC(=O)Nc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccc1F ZINC000552657150 941731477 /nfs/dbraw/zinc/73/14/77/941731477.db2.gz JUKRVCJAWXOISH-UHFFFAOYSA-N 0 0 418.428 4.280 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)CO[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000552685421 941737259 /nfs/dbraw/zinc/73/72/59/941737259.db2.gz FQWZNAFWSMWGRX-QFIPXVFZSA-N 0 0 408.473 4.161 20 30 HIEDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000552687918 941737822 /nfs/dbraw/zinc/73/78/22/941737822.db2.gz VTYKKJVHCSLZHD-UHFFFAOYSA-N 0 0 422.435 4.014 20 30 HIEDRN C[C@H](c1ccccc1)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(N)=O ZINC000552743197 941750011 /nfs/dbraw/zinc/75/00/11/941750011.db2.gz AJLTUTUVIRHQOW-ZHRRBRCNSA-N 0 0 415.518 4.097 20 30 HIEDRN COc1ccc2ccccc2c1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552748905 941751826 /nfs/dbraw/zinc/75/18/26/941751826.db2.gz MHKDAFQQDYUDSE-SFHVURJKSA-N 0 0 403.457 4.002 20 30 HIEDRN N#Cc1ccc(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1O ZINC000552762353 941755314 /nfs/dbraw/zinc/75/53/14/941755314.db2.gz BFFYJKXTPPIFHW-IBGZPJMESA-N 0 0 404.388 4.180 20 30 HIEDRN CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000552788746 941763799 /nfs/dbraw/zinc/76/37/99/941763799.db2.gz RVRNJIGQKKISCU-UHFFFAOYSA-N 0 0 417.440 4.018 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000552816682 941774823 /nfs/dbraw/zinc/77/48/23/941774823.db2.gz ZDOCRIGQZZARAB-UHFFFAOYSA-N 0 0 406.873 4.390 20 30 HIEDRN CC(C)c1ccc(-c2noc(CCC(=O)NC3(c4cccc(C#N)c4)CC3)n2)cc1 ZINC000552817552 941775756 /nfs/dbraw/zinc/77/57/56/941775756.db2.gz RYYNISMWEJJXCC-UHFFFAOYSA-N 0 0 400.482 4.470 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000552869333 941793419 /nfs/dbraw/zinc/79/34/19/941793419.db2.gz KMNFZUBCPIORJS-WOJBJXKFSA-N 0 0 405.523 4.172 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CCC3)C2)nc1 ZINC000552898465 941799593 /nfs/dbraw/zinc/79/95/93/941799593.db2.gz RINFVLUOLKAKFI-MRXNPFEDSA-N 0 0 416.308 4.362 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Oc4ccc(F)cc4F)cc3)C2)nc1 ZINC000552902839 941800189 /nfs/dbraw/zinc/80/01/89/941800189.db2.gz ROSIVNPPIBSRIU-IBGZPJMESA-N 0 0 421.403 4.317 20 30 HIEDRN C=C[C@H](CC(=O)N1CCC[C@@H](NC(=O)CCCc2ccccc2)C1)c1ccccc1 ZINC000553017055 941817034 /nfs/dbraw/zinc/81/70/34/941817034.db2.gz OJQLBVSTZXTVGJ-ISKFKSNPSA-N 0 0 404.554 4.476 20 30 HIEDRN C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)N(CC=C)CC(F)(F)F)s1 ZINC000553043582 941823660 /nfs/dbraw/zinc/82/36/60/941823660.db2.gz WKTDLJSJFLNJAG-UHFFFAOYSA-N 0 0 414.371 4.129 20 30 HIEDRN CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000553064270 941827178 /nfs/dbraw/zinc/82/71/78/941827178.db2.gz KNWIEYNYTZUCIG-DLBZAZTESA-N 0 0 402.564 4.099 20 30 HIEDRN CC[C@@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C[C@H](C)[S@]1=O ZINC000553067013 941827801 /nfs/dbraw/zinc/82/78/01/941827801.db2.gz YIIQFOMCVISVQW-OZAOTIOVSA-N 0 0 416.930 4.376 20 30 HIEDRN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2)n1 ZINC000553074590 941828975 /nfs/dbraw/zinc/82/89/75/941828975.db2.gz PSNNBVOHPYPUTH-QGZVFWFLSA-N 0 0 419.460 4.083 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000553084726 941830338 /nfs/dbraw/zinc/83/03/38/941830338.db2.gz WNUYTWVLKUFLMP-OALUTQOASA-N 0 0 404.304 4.243 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)Nc3c(-c4ccco4)nc4ccccn43)C2)c(F)c1 ZINC000553097538 941831874 /nfs/dbraw/zinc/83/18/74/941831874.db2.gz MCSIGOTWDGUVLZ-MRXNPFEDSA-N 0 0 415.428 4.070 20 30 HIEDRN COCC[C@@H]1CCCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553131355 941837389 /nfs/dbraw/zinc/83/73/89/941837389.db2.gz MFPICYTVQPFSJX-SFHVURJKSA-N 0 0 417.981 4.483 20 30 HIEDRN C[C@@H]1C[C@@H](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCO1 ZINC000553132456 941837751 /nfs/dbraw/zinc/83/77/51/941837751.db2.gz NSHNEMKGKUYVJK-SJORKVTESA-N 0 0 403.954 4.140 20 30 HIEDRN C=CCN1C(=O)N(c2cc3c(cc2Cl)OCCCO3)C(=O)[C@@H]1Cc1ccccc1 ZINC000553131833 941837753 /nfs/dbraw/zinc/83/77/53/941837753.db2.gz HNRVFXWRVCKWOX-SFHVURJKSA-N 0 0 412.873 4.067 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000553135840 941838445 /nfs/dbraw/zinc/83/84/45/941838445.db2.gz TWFAETKKFHNJCU-HXUWFJFHSA-N 0 0 404.388 4.270 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(Cl)cccc3n2)cc1 ZINC000553140005 941839296 /nfs/dbraw/zinc/83/92/96/941839296.db2.gz KBZXSRHHEFKDSK-UHFFFAOYSA-N 0 0 413.886 4.218 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(=Cc4cccc(F)c4)CC3)C2)c(F)c1 ZINC000553169201 941843988 /nfs/dbraw/zinc/84/39/88/941843988.db2.gz QCYAKPHTKDUMJN-HXUWFJFHSA-N 0 0 407.464 4.369 20 30 HIEDRN CC[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1OC(F)F ZINC000553169408 941844116 /nfs/dbraw/zinc/84/41/16/941844116.db2.gz DZZHMZZRILSWIL-MAUKXSAKSA-N 0 0 417.431 4.393 20 30 HIEDRN C[C@H](Cn1ncc2ccccc2c1=O)Nc1c(Br)cc(Cl)cc1C#N ZINC000553171238 941844400 /nfs/dbraw/zinc/84/44/00/941844400.db2.gz SHPVEAAVZLTDKK-LLVKDONJSA-N 0 0 417.694 4.185 20 30 HIEDRN Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000553209383 941849831 /nfs/dbraw/zinc/84/98/31/941849831.db2.gz CRIYQPXVHITUNI-UHFFFAOYSA-N 0 0 423.488 4.173 20 30 HIEDRN CS(=O)(=O)c1ccc(NCc2c(F)cc(F)c(F)c2F)c(C(F)(F)F)c1 ZINC000553230137 941853033 /nfs/dbraw/zinc/85/30/33/941853033.db2.gz NQYJFBPVWITUCX-UHFFFAOYSA-N 0 0 401.303 4.277 20 30 HIEDRN COc1ccc(CC2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)cc1 ZINC000553237011 941854362 /nfs/dbraw/zinc/85/43/62/941854362.db2.gz JNCZIGUWFFHOOD-NRFANRHFSA-N 0 0 421.516 4.014 20 30 HIEDRN Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553238993 941855121 /nfs/dbraw/zinc/85/51/21/941855121.db2.gz RTNLWRPCBGTZCL-SFHVURJKSA-N 0 0 424.545 4.024 20 30 HIEDRN COc1ccc2oc([C@@H](C)NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c(C)c2c1 ZINC000553288615 941861022 /nfs/dbraw/zinc/86/10/22/941861022.db2.gz HXJIHLWYVDILQE-WBVHZDCISA-N 0 0 421.472 4.464 20 30 HIEDRN CCNC(=O)COc1cccc(CNc2c(Br)cc(Cl)cc2C#N)c1 ZINC000553290785 941861724 /nfs/dbraw/zinc/86/17/24/941861724.db2.gz JYCBSCFCXLBNDH-UHFFFAOYSA-N 0 0 422.710 4.101 20 30 HIEDRN N#Cc1cc(Cl)cc(Br)c1N1CCC(CC(=O)N2CCCC2)CC1 ZINC000553323926 941867774 /nfs/dbraw/zinc/86/77/74/941867774.db2.gz BAFWBGVKGXKPMM-UHFFFAOYSA-N 0 0 410.743 4.203 20 30 HIEDRN Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000553337241 941869387 /nfs/dbraw/zinc/86/93/87/941869387.db2.gz CNUOUIHCJNYPQQ-QGZVFWFLSA-N 0 0 409.555 4.422 20 30 HIEDRN N#Cc1ccncc1N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000553354155 941871833 /nfs/dbraw/zinc/87/18/33/941871833.db2.gz NDTIKHBBGMBBHX-UHFFFAOYSA-N 0 0 418.884 4.361 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NCCc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000553362524 941873002 /nfs/dbraw/zinc/87/30/02/941873002.db2.gz FKLPOODEMNGHRD-UHFFFAOYSA-N 0 0 401.869 4.146 20 30 HIEDRN COc1ccc(-c2nc(SCc3ccc(Br)cc3C#N)n[nH]2)cc1 ZINC000553364521 941873501 /nfs/dbraw/zinc/87/35/01/941873501.db2.gz OQINLGSWMCYPLX-UHFFFAOYSA-N 0 0 401.289 4.407 20 30 HIEDRN COc1ccccc1O[C@@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000553388377 941878056 /nfs/dbraw/zinc/87/80/56/941878056.db2.gz BMRSMOVDEUKHSP-QGZVFWFLSA-N 0 0 404.426 4.071 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)C2)c(F)c1 ZINC000553391313 941878411 /nfs/dbraw/zinc/87/84/11/941878411.db2.gz SHSVDVNMUPWKAG-IBGZPJMESA-N 0 0 409.892 4.493 20 30 HIEDRN Cc1oc(NC(=O)[C@@H](C)N2CCc3cc(Br)cc(F)c3C2)c(C#N)c1C ZINC000553396109 941879012 /nfs/dbraw/zinc/87/90/12/941879012.db2.gz UKFSTMOHXURSDG-LLVKDONJSA-N 0 0 420.282 4.055 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000553411655 941880845 /nfs/dbraw/zinc/88/08/45/941880845.db2.gz CUTHLRYKUSEVFI-UHFFFAOYSA-N 0 0 419.403 4.195 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCc1ccccc1Br ZINC000553416737 941881733 /nfs/dbraw/zinc/88/17/33/941881733.db2.gz SNGULNJAXGPSRB-UHFFFAOYSA-N 0 0 406.320 4.462 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000553452293 941887103 /nfs/dbraw/zinc/88/71/03/941887103.db2.gz NOOHYDNFVRETGF-UHFFFAOYSA-N 0 0 403.910 4.036 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCCOc4c(Cl)cccc43)C2)c(F)c1 ZINC000553459554 941888540 /nfs/dbraw/zinc/88/85/40/941888540.db2.gz KGARITSPQOESST-KXBFYZLASA-N 0 0 413.880 4.207 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000553477467 941892021 /nfs/dbraw/zinc/89/20/21/941892021.db2.gz AOKOMCASRRCFOF-MRXNPFEDSA-N 0 0 411.342 4.190 20 30 HIEDRN C=CCOc1ccc(CNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1 ZINC000553480807 941892402 /nfs/dbraw/zinc/89/24/02/941892402.db2.gz GDOMFFWXXCBVGQ-UHFFFAOYSA-N 0 0 414.933 4.452 20 30 HIEDRN C[C@](O)(CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CCCCC1 ZINC000553519385 941901187 /nfs/dbraw/zinc/90/11/87/941901187.db2.gz CWKDAUPLPSIALU-QHCPKHFHSA-N 0 0 417.981 4.266 20 30 HIEDRN CC(C)(CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1 ZINC000553520636 941901293 /nfs/dbraw/zinc/90/12/93/941901293.db2.gz PDZSCQWEHQGLNC-UHFFFAOYSA-N 0 0 401.507 4.289 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553522385 941901981 /nfs/dbraw/zinc/90/19/81/941901981.db2.gz IGONNYYNRWKYSQ-RKDXNWHRSA-N 0 0 409.323 4.076 20 30 HIEDRN N#Cc1cccc(CNC(=O)COc2c(Cl)cc(Br)cc2Cl)c1 ZINC000553544538 941905762 /nfs/dbraw/zinc/90/57/62/941905762.db2.gz MOQIKBGNGCWFJD-UHFFFAOYSA-N 0 0 414.086 4.323 20 30 HIEDRN CCOC(=O)c1cnn(C2CCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)c1C ZINC000553580375 941913618 /nfs/dbraw/zinc/91/36/18/941913618.db2.gz MPUYIWNFRCPLCE-UHFFFAOYSA-N 0 0 417.513 4.246 20 30 HIEDRN C[C@@H](OCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)c1nccn1C ZINC000553603248 941918266 /nfs/dbraw/zinc/91/82/66/941918266.db2.gz VZZDKAMPBLONMN-CQSZACIVSA-N 0 0 410.861 4.454 20 30 HIEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 ZINC000553622665 941923946 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4.115 20 30 HIEDRN CSc1cccc(F)c1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553900471 941994691 /nfs/dbraw/zinc/99/46/91/941994691.db2.gz HEYAAKBLPQVAKY-UHFFFAOYSA-N 0 0 417.481 4.311 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1 ZINC000553901146 941994728 /nfs/dbraw/zinc/99/47/28/941994728.db2.gz KUPDAFXNYCUAHD-HSZRJFAPSA-N 0 0 404.514 4.305 20 30 HIEDRN CC[C@H](c1ccccc1OC)N(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000553913172 941997029 /nfs/dbraw/zinc/99/70/29/941997029.db2.gz ANCKKGGDAWNXTJ-MRXNPFEDSA-N 0 0 423.332 4.101 20 30 HIEDRN FC(F)(F)Oc1ccc(C#CCN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000553927882 942001277 /nfs/dbraw/zinc/00/12/77/942001277.db2.gz MJSUVWXDYLCUQA-ZWKOTPCHSA-N 0 0 421.419 4.398 20 30 HIEDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCOCC(F)(F)C(F)F ZINC000554094503 942035087 /nfs/dbraw/zinc/03/50/87/942035087.db2.gz PHDIKAHONSLSGH-LLVKDONJSA-N 0 0 418.353 4.195 20 30 HIEDRN N#CCCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(F)cc1 ZINC000554166000 942054087 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C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000554382649 942120123 /nfs/dbraw/zinc/12/01/23/942120123.db2.gz JLWXFFLPADSAKP-UHFFFAOYSA-N 0 0 411.424 4.467 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000554381590 942120305 /nfs/dbraw/zinc/12/03/05/942120305.db2.gz PDUMZAGPZKXOBN-UHFFFAOYSA-N 0 0 409.534 4.310 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N([C@H](C)c2ccccc2)C2CC2)cc1 ZINC000554401185 942127493 /nfs/dbraw/zinc/12/74/93/942127493.db2.gz LPVXHBDRIRWTMR-QGZVFWFLSA-N 0 0 413.543 4.251 20 30 HIEDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000554434201 942141976 /nfs/dbraw/zinc/14/19/76/942141976.db2.gz CTOMDBKAFOOYJG-UHFFFAOYSA-N 0 0 415.240 4.425 20 30 HIEDRN C=CCOc1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000554440428 942143519 /nfs/dbraw/zinc/14/35/19/942143519.db2.gz OKLHPGJJYSTMHT-IBGZPJMESA-N 0 0 400.450 4.270 20 30 HIEDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000554445889 942146842 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HIEDRN N#CC1(c2ccccn2)CCN(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000554594754 942173510 /nfs/dbraw/zinc/17/35/10/942173510.db2.gz NFCFMFCWVCZBPU-UHFFFAOYSA-N 0 0 410.521 4.480 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)NCCCO[C@H]2CCCc3ccccc32)CC1 ZINC000554602670 942174227 /nfs/dbraw/zinc/17/42/27/942174227.db2.gz HDICKZPFRGPCSJ-QFIPXVFZSA-N 0 0 418.541 4.133 20 30 HIEDRN Cc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)nn1-c1cccc(C#N)c1 ZINC000554599832 942174358 /nfs/dbraw/zinc/17/43/58/942174358.db2.gz AJYRZEGMKVWNDS-UHFFFAOYSA-N 0 0 414.509 4.243 20 30 HIEDRN C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000554609073 942175958 /nfs/dbraw/zinc/17/59/58/942175958.db2.gz CLLDKHWPESFWOA-FQEVSTJZSA-N 0 0 424.888 4.091 20 30 HIEDRN C=CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000554610736 942175980 /nfs/dbraw/zinc/17/59/80/942175980.db2.gz FAJDZAYFRIRDTQ-SFHVURJKSA-N 0 0 417.351 4.462 20 30 HIEDRN COC(=O)c1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)o1 ZINC000554622318 942177959 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/nfs/dbraw/zinc/50/22/83/942502283.db2.gz DSRDCKHMPHQTOE-UHFFFAOYSA-N 0 0 419.554 4.260 20 30 HIEDRN C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H]2CCCO2)CC1 ZINC000555388387 942508442 /nfs/dbraw/zinc/50/84/42/942508442.db2.gz DQDUBOMYQIAMFP-IBGZPJMESA-N 0 0 405.502 4.182 20 30 HIEDRN CC(C)(C#N)c1ccccc1CN1c2ccc(Br)cc2CS1(=O)=O ZINC000555407695 942519268 /nfs/dbraw/zinc/51/92/68/942519268.db2.gz KYBFNGJIPUJANG-UHFFFAOYSA-N 0 0 405.317 4.100 20 30 HIEDRN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555419179 942523793 /nfs/dbraw/zinc/52/37/93/942523793.db2.gz AJCLFMBOGHBRFY-QGZVFWFLSA-N 0 0 413.403 4.226 20 30 HIEDRN CC1(C#N)CCN(c2nnc([C@@H]3COc4ccccc4O3)n2Cc2cccs2)CC1 ZINC000555432616 942529142 /nfs/dbraw/zinc/52/91/42/942529142.db2.gz PDLWOEYRWKRFHQ-IBGZPJMESA-N 0 0 421.526 4.030 20 30 HIEDRN C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cccs1 ZINC000555433400 942530566 /nfs/dbraw/zinc/53/05/66/942530566.db2.gz YNGHLHPEZHUUKM-UHFFFAOYSA-N 0 0 419.348 4.352 20 30 HIEDRN Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000555439321 942539530 /nfs/dbraw/zinc/53/95/30/942539530.db2.gz DPRMPMVGFAVJTG-UHFFFAOYSA-N 0 0 406.540 4.328 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCOC2)cc1 ZINC000555446474 942549406 /nfs/dbraw/zinc/54/94/06/942549406.db2.gz FNLFCGFDXMXMER-IBGZPJMESA-N 0 0 407.562 4.409 20 30 HIEDRN CC(C)C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C1 ZINC000555448250 942552427 /nfs/dbraw/zinc/55/24/27/942552427.db2.gz AJZQEIUBGBISQE-RTWAWAEBSA-N 0 0 423.561 4.028 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 ZINC000555460280 942562594 /nfs/dbraw/zinc/56/25/94/942562594.db2.gz MFFWANIZRSKBEU-FQEVSTJZSA-N 0 0 407.543 4.008 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2CCCCO2)cc1 ZINC000555466265 942567913 /nfs/dbraw/zinc/56/79/13/942567913.db2.gz ADAKSFDSYKJTPU-GOSISDBHSA-N 0 0 419.451 4.165 20 30 HIEDRN N#Cc1ccnc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)c1 ZINC000555555100 942640286 /nfs/dbraw/zinc/64/02/86/942640286.db2.gz ABRXONXWAKANFA-UHFFFAOYSA-N 0 0 405.845 4.181 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCC(=O)NC1CCCC1 ZINC000555562629 942642859 /nfs/dbraw/zinc/64/28/59/942642859.db2.gz HJFMSALBNMDMBV-UHFFFAOYSA-N 0 0 405.498 4.223 20 30 HIEDRN CC[C@H](C)[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000555558433 942643058 /nfs/dbraw/zinc/64/30/58/942643058.db2.gz ZNCZDZIEOJWLBA-KKSFZXQISA-N 0 0 411.937 4.226 20 30 HIEDRN N#Cc1ccc(Oc2ccc(OC[C@@H](O)COc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000555580927 942651622 /nfs/dbraw/zinc/65/16/22/942651622.db2.gz NGCANBWONZPLJV-GOSISDBHSA-N 0 0 406.394 4.077 20 30 HIEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000555642848 942684936 /nfs/dbraw/zinc/68/49/36/942684936.db2.gz ASBJRZCPWJIMGE-UHFFFAOYSA-N 0 0 423.344 4.382 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000555655242 942690701 /nfs/dbraw/zinc/69/07/01/942690701.db2.gz XKMXNDYAXQBZFW-NRFANRHFSA-N 0 0 417.538 4.151 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1nc2c(cccc2Cl)s1 ZINC000555704322 942705845 /nfs/dbraw/zinc/70/58/45/942705845.db2.gz AAIIYYZMOGQUQK-UHFFFAOYSA-N 0 0 400.891 4.134 20 30 HIEDRN N#Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cnc1C(F)(F)F ZINC000555738889 942717597 /nfs/dbraw/zinc/71/75/97/942717597.db2.gz OJUOPMQOKOQFDZ-UONOGXRCSA-N 0 0 410.193 4.020 20 30 HIEDRN N#CCCn1cc(C(=O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000555746661 942719104 /nfs/dbraw/zinc/71/91/04/942719104.db2.gz SJKCEEMVDZNBEQ-QHCPKHFHSA-N 0 0 407.901 4.465 20 30 HIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)c1ccc(Cl)cc1 ZINC000555818527 942744449 /nfs/dbraw/zinc/74/44/49/942744449.db2.gz OAEDGGWYYBSHRL-MRXNPFEDSA-N 0 0 420.694 4.180 20 30 HIEDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000555854493 942755216 /nfs/dbraw/zinc/75/52/16/942755216.db2.gz YKOHWBPYVRZNEU-NSHDSACASA-N 0 0 420.694 4.132 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N[C@H]2CCc3c2cccc3Cl)c1C#N ZINC000555873862 942761796 /nfs/dbraw/zinc/76/17/96/942761796.db2.gz WKIXMXMAEPEHOY-INIZCTEOSA-N 0 0 401.919 4.313 20 30 HIEDRN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000556036909 942791395 /nfs/dbraw/zinc/79/13/95/942791395.db2.gz CVMRHYUYTCHXHP-NRFANRHFSA-N 0 0 411.933 4.464 20 30 HIEDRN CC(C)[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000556036925 942792062 /nfs/dbraw/zinc/79/20/62/942792062.db2.gz ADBWWJRGQOGVLK-DJJJIMSYSA-N 0 0 401.869 4.041 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000556043361 942794530 /nfs/dbraw/zinc/79/45/30/942794530.db2.gz UCTFAJSVYGYFAW-UHFFFAOYSA-N 0 0 403.526 4.139 20 30 HIEDRN CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3cc(C#N)cc(N(C)C)c3)n2)cc1 ZINC000556318415 942840073 /nfs/dbraw/zinc/84/00/73/942840073.db2.gz DASATNGTCUABGL-OAHLLOKOSA-N 0 0 403.486 4.369 20 30 HIEDRN CC(C)Oc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000556374647 942851789 /nfs/dbraw/zinc/85/17/89/942851789.db2.gz FAWFBHZDDAVOGP-UHFFFAOYSA-N 0 0 400.438 4.245 20 30 HIEDRN COCC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000556407025 942858397 /nfs/dbraw/zinc/85/83/97/942858397.db2.gz GIKLFIYAYBJLAZ-MRXNPFEDSA-N 0 0 405.347 4.074 20 30 HIEDRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(C4CC4)C4(C#N)CCC4)cc3C2=O)c1 ZINC000556437458 942866568 /nfs/dbraw/zinc/86/65/68/942866568.db2.gz KRJLUSKNAZJXIC-UHFFFAOYSA-N 0 0 413.477 4.155 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000556501779 942886447 /nfs/dbraw/zinc/88/64/47/942886447.db2.gz NJNPFIIMKCKJEZ-VFNWGFHPSA-N 0 0 412.555 4.357 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000556511987 942889049 /nfs/dbraw/zinc/88/90/49/942889049.db2.gz DIKXNOQWBWNWJR-OAHLLOKOSA-N 0 0 420.321 4.197 20 30 HIEDRN COCC[C@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000556536112 942893847 /nfs/dbraw/zinc/89/38/47/942893847.db2.gz MIGDGAGUVMVJJH-KRWDZBQOSA-N 0 0 420.296 4.006 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1 ZINC000556571091 942901922 /nfs/dbraw/zinc/90/19/22/942901922.db2.gz REZCOALZAMINOD-UHFFFAOYSA-N 0 0 413.502 4.453 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1OCCC(C)C ZINC000556571386 942902636 /nfs/dbraw/zinc/90/26/36/942902636.db2.gz XLMRPOFTYAWXJF-UHFFFAOYSA-N 0 0 405.498 4.036 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccccc1 ZINC000556625631 942920323 /nfs/dbraw/zinc/92/03/23/942920323.db2.gz OLVMPUFIDQFFPE-GOSISDBHSA-N 0 0 421.888 4.016 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000556930265 942970290 /nfs/dbraw/zinc/97/02/90/942970290.db2.gz DWKKVOAQRKCABN-UHFFFAOYSA-N 0 0 404.470 4.355 20 30 HIEDRN C[C@H](NC(=O)c1cnnn1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000556961947 942980510 /nfs/dbraw/zinc/98/05/10/942980510.db2.gz IUTMSEYLPLGARL-SFHVURJKSA-N 0 0 407.477 4.356 20 30 HIEDRN CC(C)(C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1cc(F)cc(C#N)c1 ZINC000556982044 942987930 /nfs/dbraw/zinc/98/79/30/942987930.db2.gz MUWHACZKVWXAIH-UHFFFAOYSA-N 0 0 405.395 4.492 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000557004971 942991989 /nfs/dbraw/zinc/99/19/89/942991989.db2.gz DSSKYASFOFECKN-LJQANCHMSA-N 0 0 401.432 4.366 20 30 HIEDRN CC(C)(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc(F)cc(C#N)c1 ZINC000557025714 942998347 /nfs/dbraw/zinc/99/83/47/942998347.db2.gz PTFLHMRYPCEKQK-ZJSXRUAMSA-N 0 0 412.480 4.004 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCc2c(F)cccc2N2CCCC2)o1 ZINC000557060111 943008447 /nfs/dbraw/zinc/00/84/47/943008447.db2.gz ZHCKDJHUSCAUOH-UHFFFAOYSA-N 0 0 419.456 4.400 20 30 HIEDRN C=CCOc1ccc(CNC(=O)c2ccc(OCc3cscn3)c(OC)c2)cc1 ZINC000557059834 943008624 /nfs/dbraw/zinc/00/86/24/943008624.db2.gz XCTBZDTVIRZSQU-UHFFFAOYSA-N 0 0 410.495 4.226 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@]34CCCc3ccccc34)CC2)c(F)c1 ZINC000557115465 943022387 /nfs/dbraw/zinc/02/23/87/943022387.db2.gz GHAMOGRMHODSDF-SQJMNOBHSA-N 0 0 404.485 4.361 20 30 HIEDRN CC(C)(C)c1ccc(OCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000557121189 943024522 /nfs/dbraw/zinc/02/45/22/943024522.db2.gz KLQXCDLSDXXTEG-UHFFFAOYSA-N 0 0 410.489 4.444 20 30 HIEDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000557154659 943033436 /nfs/dbraw/zinc/03/34/36/943033436.db2.gz LRRYLNHUCNJGRW-BGWNEDDSSA-N 0 0 414.509 4.134 20 30 HIEDRN CCc1ccc(C2=CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)cc1 ZINC000557197903 943047968 /nfs/dbraw/zinc/04/79/68/943047968.db2.gz WVYJKMJDZJOQDS-UHFFFAOYSA-N 0 0 422.550 4.256 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)[C@H]3C[C@@]34CCc3cc(Br)ccc34)CC2)c1 ZINC000557204064 943050289 /nfs/dbraw/zinc/05/02/89/943050289.db2.gz QXWFLBPPXYZGBE-TZIWHRDSSA-N 0 0 407.311 4.330 20 30 HIEDRN C[C@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1Oc1ccccc1 ZINC000557334278 943074950 /nfs/dbraw/zinc/07/49/50/943074950.db2.gz NOVPPMYIDYYZPF-SFHVURJKSA-N 0 0 413.477 4.186 20 30 HIEDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000557356440 943083922 /nfs/dbraw/zinc/08/39/22/943083922.db2.gz 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CC1(C(=O)Nc2nnc(C(F)F)s2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557454653 943136983 /nfs/dbraw/zinc/13/69/83/943136983.db2.gz GWBFHAZBGDRBNW-UHFFFAOYSA-N 0 0 411.865 4.246 20 30 HIEDRN COc1c(Cl)cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1Cl ZINC000557472147 943150168 /nfs/dbraw/zinc/15/01/68/943150168.db2.gz ZQFNIJQRUHGUIB-GFCCVEGCSA-N 0 0 408.260 4.478 20 30 HIEDRN CCOc1ccc(CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C(C)C)cc1 ZINC000557470530 943150435 /nfs/dbraw/zinc/15/04/35/943150435.db2.gz MVJXHISMKXERBG-FQEVSTJZSA-N 0 0 409.505 4.360 20 30 HIEDRN CC(C)(c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1)C(F)(F)F ZINC000557473228 943151986 /nfs/dbraw/zinc/15/19/86/943151986.db2.gz VJZMOXOCZPLEOY-KRWDZBQOSA-N 0 0 403.404 4.087 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)C2)nc1 ZINC000557472624 943152155 /nfs/dbraw/zinc/15/21/55/943152155.db2.gz PETOBMCBVITOAD-SFHVURJKSA-N 0 0 423.394 4.331 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(NCc3ccc(OC)c(OC(F)F)c3)c2c1 ZINC000557493512 943166715 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HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1 ZINC000048149470 849180776 /nfs/dbraw/zinc/18/07/76/849180776.db2.gz MMJOGHFRQYVHME-INIZCTEOSA-N 0 0 411.502 4.283 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000048149540 849181149 /nfs/dbraw/zinc/18/11/49/849181149.db2.gz YHZVDJSODXMJKG-CYBMUJFWSA-N 0 0 402.292 4.248 20 30 HIEDRN COc1ccc(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 ZINC000048161686 849182910 /nfs/dbraw/zinc/18/29/10/849182910.db2.gz LMWKKNAQUBITLI-UHFFFAOYSA-N 0 0 402.454 4.057 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000048427772 849221454 /nfs/dbraw/zinc/22/14/54/849221454.db2.gz MURLDOKQKJJYLP-CQSZACIVSA-N 0 0 418.419 4.296 20 30 HIEDRN Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(I)c2)n1 ZINC000048520441 849237917 /nfs/dbraw/zinc/23/79/17/849237917.db2.gz BAJMXSNSPBOUPK-VIFPVBQESA-N 0 0 402.644 4.200 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000048548873 849241231 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418.541 4.103 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N(Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC000409570109 855545014 /nfs/dbraw/zinc/54/50/14/855545014.db2.gz LQMHLNSAURYYEY-UHFFFAOYSA-N 0 0 409.552 4.245 20 30 HIEDRN Cc1ccc(C)n1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000409589235 855555531 /nfs/dbraw/zinc/55/55/31/855555531.db2.gz NJFIOXRIKPCCND-UHFFFAOYSA-N 0 0 411.449 4.021 20 30 HIEDRN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000409643686 855579389 /nfs/dbraw/zinc/57/93/89/855579389.db2.gz DJYKLSHXJYZGFU-SFHVURJKSA-N 0 0 404.445 4.068 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)c1 ZINC000409645020 855580608 /nfs/dbraw/zinc/58/06/08/855580608.db2.gz MFDUYAHLTWUQOO-UHFFFAOYSA-N 0 0 419.444 4.447 20 30 HIEDRN N#CCc1ccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000409661470 855589650 /nfs/dbraw/zinc/58/96/50/855589650.db2.gz WLDWRMDQFYHJMU-SFHVURJKSA-N 0 0 400.276 4.121 20 30 HIEDRN COC[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(F)cc1 ZINC000437383853 862697689 /nfs/dbraw/zinc/69/76/89/862697689.db2.gz LKZNVGAOIKICNE-HSZRJFAPSA-N 0 0 404.441 4.394 20 30 HIEDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000437384127 862698176 /nfs/dbraw/zinc/69/81/76/862698176.db2.gz JEOIAIDLOHDUJO-CQSZACIVSA-N 0 0 415.877 4.088 20 30 HIEDRN N#Cc1c(NC(=O)c2ccc(I)c(F)c2)sc2c1CCC2 ZINC000409738033 855628740 /nfs/dbraw/zinc/62/87/40/855628740.db2.gz SOGGZXHKSVATHI-UHFFFAOYSA-N 0 0 412.227 4.104 20 30 HIEDRN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409743851 855631436 /nfs/dbraw/zinc/63/14/36/855631436.db2.gz XOIIGLDUEIUABI-UHFFFAOYSA-N 0 0 407.477 4.468 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(-c2nc3cc(F)ccc3s2)cc1C ZINC000437386012 862704616 /nfs/dbraw/zinc/70/46/16/862704616.db2.gz FEHMTNYQKZHKTF-ZDUSSCGKSA-N 0 0 424.501 4.358 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000409867229 855695736 /nfs/dbraw/zinc/69/57/36/855695736.db2.gz OZFRQKHRXKRQHN-UHFFFAOYSA-N 0 0 417.918 4.075 20 30 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Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000410140429 855836130 /nfs/dbraw/zinc/83/61/30/855836130.db2.gz RBKJWNHOLYEGKF-HXUWFJFHSA-N 0 0 405.542 4.102 20 30 HIEDRN N#Cc1ccc(OCC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000410170775 855848781 /nfs/dbraw/zinc/84/87/81/855848781.db2.gz NDBLQUQEQICINX-UHFFFAOYSA-N 0 0 422.378 4.323 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000437395367 862729956 /nfs/dbraw/zinc/72/99/56/862729956.db2.gz OLDWCMZSNZOYTG-AWEZNQCLSA-N 0 0 401.919 4.438 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000437395299 862731086 /nfs/dbraw/zinc/73/10/86/862731086.db2.gz KGNMONMYPFRLIJ-ZDUSSCGKSA-N 0 0 410.474 4.049 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000410273560 855895298 /nfs/dbraw/zinc/89/52/98/855895298.db2.gz SWDGIWOMTNLENB-HNNXBMFYSA-N 0 0 411.296 4.481 20 30 HIEDRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000410283102 855900878 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HIEDRN Cc1ccccc1OCCCN(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428261913 857132207 /nfs/dbraw/zinc/13/22/07/857132207.db2.gz VSUNGHGZHQKLTQ-UHFFFAOYSA-N 0 0 402.498 4.313 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2CCC)cc1 ZINC000428265142 857133271 /nfs/dbraw/zinc/13/32/71/857133271.db2.gz NLAHKCNSJWMVER-UHFFFAOYSA-N 0 0 402.498 4.301 20 30 HIEDRN CCN(Cc1ccc(OC)cc1OC)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428288098 857142066 /nfs/dbraw/zinc/14/20/66/857142066.db2.gz OXMWEEILALKDGO-UHFFFAOYSA-N 0 0 418.497 4.143 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1C ZINC000428298401 857145996 /nfs/dbraw/zinc/14/59/96/857145996.db2.gz ICBIFXIPXSOMSD-UHFFFAOYSA-N 0 0 408.483 4.263 20 30 HIEDRN Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1cccc(F)c1C#N ZINC000428356827 857170045 /nfs/dbraw/zinc/17/00/45/857170045.db2.gz BCEAFBVNVGVYJP-JOCHJYFZSA-N 0 0 408.452 4.213 20 30 HIEDRN CCOC(=O)[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(OC)c(F)c1 ZINC000428386368 857185753 /nfs/dbraw/zinc/18/57/53/857185753.db2.gz CZGRTGDKTMGHKV-HWDGFJGFSA-N 0 0 410.489 4.432 20 30 HIEDRN C[C@@H](NCc1cccc(F)c1C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000428427836 857200875 /nfs/dbraw/zinc/20/08/75/857200875.db2.gz UKJYPNGWOOWDQA-LLVKDONJSA-N 0 0 401.239 4.361 20 30 HIEDRN C[C@H](NCc1cccc(F)c1C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000428427838 857201287 /nfs/dbraw/zinc/20/12/87/857201287.db2.gz UKJYPNGWOOWDQA-NSHDSACASA-N 0 0 401.239 4.361 20 30 HIEDRN CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(-c2ccccc2)nn1 ZINC000428511883 857233397 /nfs/dbraw/zinc/23/33/97/857233397.db2.gz BEHGRHLGYLJJPL-UHFFFAOYSA-N 0 0 408.465 4.197 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2cnn(-c3ccccc3F)c2)c1-c1ccccc1 ZINC000428524214 857239669 /nfs/dbraw/zinc/23/96/69/857239669.db2.gz IZLHBRNJZXVNPR-UHFFFAOYSA-N 0 0 400.417 4.041 20 30 HIEDRN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000428635065 857284109 /nfs/dbraw/zinc/28/41/09/857284109.db2.gz DOPGLYDDRBKMJL-SFHVURJKSA-N 0 0 410.481 4.140 20 30 HIEDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)cs1 ZINC000428646828 857287646 /nfs/dbraw/zinc/28/76/46/857287646.db2.gz HMFUVSIJCMNZHQ-MRXNPFEDSA-N 0 0 423.542 4.290 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)[C@H](C)CO1 ZINC000428649895 857288593 /nfs/dbraw/zinc/28/85/93/857288593.db2.gz NQMJKLNXMSUWSO-XXBNENTESA-N 0 0 414.509 4.374 20 30 HIEDRN COC(=O)C(C)(C)c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428652144 857289995 /nfs/dbraw/zinc/28/99/95/857289995.db2.gz RHPKNPWXEMOYKN-UHFFFAOYSA-N 0 0 416.481 4.167 20 30 HIEDRN N#CCCn1ncc(C(=O)NC[C@@H]2SCCc3ccccc32)c1-c1ccccc1 ZINC000428654070 857290761 /nfs/dbraw/zinc/29/07/61/857290761.db2.gz ZYAIPBSTFIUJNI-NRFANRHFSA-N 0 0 402.523 4.224 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000437576793 862895338 /nfs/dbraw/zinc/89/53/38/862895338.db2.gz GTCBMCLGWGUPSB-CTNGQTDRSA-N 0 0 424.932 4.480 20 30 HIEDRN Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1C(=O)NC(C)C ZINC000428708379 857304336 /nfs/dbraw/zinc/30/43/36/857304336.db2.gz JTQWGXWKTTWSKB-UHFFFAOYSA-N 0 0 415.497 4.163 20 30 HIEDRN COC(=O)C12CCC(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)(CC1)C2 ZINC000428728069 857311833 /nfs/dbraw/zinc/31/18/33/857311833.db2.gz DIHJXWOLEQAPDT-UHFFFAOYSA-N 0 0 404.466 4.199 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nc2ccccc2n1C ZINC000428759201 857322696 /nfs/dbraw/zinc/32/26/96/857322696.db2.gz OIGLIJOMHADRJN-OAHLLOKOSA-N 0 0 421.570 4.234 20 30 HIEDRN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428800012 857348622 /nfs/dbraw/zinc/34/86/22/857348622.db2.gz XANGXEJMUISUPL-IBGZPJMESA-N 0 0 406.530 4.292 20 30 HIEDRN Cc1nc(C)n(Cc2cccc(NC(=O)Nc3cccc(C#Cc4ccccn4)c3)c2)n1 ZINC000428882014 857386703 /nfs/dbraw/zinc/38/67/03/857386703.db2.gz MSUODOCRFYTEEI-UHFFFAOYSA-N 0 0 422.492 4.382 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2ccccc2-c2nncn2CC)cc(OC)c1OC ZINC000428898101 857398856 /nfs/dbraw/zinc/39/88/56/857398856.db2.gz AWBPYWTXVMCOEY-UHFFFAOYSA-N 0 0 421.501 4.032 20 30 HIEDRN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922546 857417377 /nfs/dbraw/zinc/41/73/77/857417377.db2.gz BIYNDBUSROODJA-GUYCJALGSA-N 0 0 423.460 4.429 20 30 HIEDRN N#Cc1c(F)cccc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000428983705 857444149 /nfs/dbraw/zinc/44/41/49/857444149.db2.gz GVDXTKMTHLUGIL-INIZCTEOSA-N 0 0 417.200 4.302 20 30 HIEDRN C=C(C)[C@H](NC(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000428992210 857446607 /nfs/dbraw/zinc/44/66/07/857446607.db2.gz JQZJSBOZZRANRK-AGHHOFFYSA-N 0 0 404.432 4.187 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2sc(CC)cc2C#N)nnc1-c1ccco1 ZINC000429013501 857458291 /nfs/dbraw/zinc/45/82/91/857458291.db2.gz UXZDWYPGWKOYBG-UHFFFAOYSA-N 0 0 413.528 4.341 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H](CO)c1ccccc1 ZINC000429058363 857484474 /nfs/dbraw/zinc/48/44/74/857484474.db2.gz FFWCUMHGMYMLOH-JOCHJYFZSA-N 0 0 415.493 4.343 20 30 HIEDRN CCN(CCC#N)C(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000429063457 857488721 /nfs/dbraw/zinc/48/87/21/857488721.db2.gz XHSRJZSAFUQZQF-HNNXBMFYSA-N 0 0 416.913 4.121 20 30 HIEDRN N#CCCn1ncc(C(=O)NCc2nc3ccccc3n2C2CC2)c1-c1ccccc1 ZINC000429084940 857501508 /nfs/dbraw/zinc/50/15/08/857501508.db2.gz OWTGKKWDQPGYPH-UHFFFAOYSA-N 0 0 410.481 4.078 20 30 HIEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000429114099 857515806 /nfs/dbraw/zinc/51/58/06/857515806.db2.gz KYMHBJFVPCYFRL-LJQANCHMSA-N 0 0 421.419 4.109 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157964 857535275 /nfs/dbraw/zinc/53/52/75/857535275.db2.gz WPQQHMZQVGDQHW-IAGOWNOFSA-N 0 0 403.960 4.245 20 30 HIEDRN CCn1nc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1C1CC1 ZINC000429196003 857548555 /nfs/dbraw/zinc/54/85/55/857548555.db2.gz YHUFQLUXVOFINH-UHFFFAOYSA-N 0 0 417.488 5.025 20 30 HIEDRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(C(F)F)CC1 ZINC000429202904 857551711 /nfs/dbraw/zinc/55/17/11/857551711.db2.gz MEZFHRMDXYSZEV-UHFFFAOYSA-N 0 0 406.273 4.348 20 30 HIEDRN CCc1c(C)sc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c1C#N ZINC000429203452 857552077 /nfs/dbraw/zinc/55/20/77/857552077.db2.gz HNKBBYLSOXQEBS-HXUWFJFHSA-N 0 0 422.554 4.294 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429240020 857568765 /nfs/dbraw/zinc/56/87/65/857568765.db2.gz WNPZKESKFUOZAX-FQEVSTJZSA-N 0 0 412.578 4.169 20 30 HIEDRN CSC[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000429289103 857591549 /nfs/dbraw/zinc/59/15/49/857591549.db2.gz XTPGTFVIJOGBPN-GOSISDBHSA-N 0 0 402.608 4.495 20 30 HIEDRN CCCc1c(NC(=O)CCc2c(C)nn(CCC#N)c2C)cnn1-c1ccc(F)cc1 ZINC000429329880 857605116 /nfs/dbraw/zinc/60/51/16/857605116.db2.gz DRDYWPDRDIIJDH-UHFFFAOYSA-N 0 0 422.508 4.262 20 30 HIEDRN CCC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C(=O)N1CCc2sccc2C1 ZINC000429343841 857611987 /nfs/dbraw/zinc/61/19/87/857611987.db2.gz GHRVUPFELGOFBY-KRWDZBQOSA-N 0 0 416.934 4.148 20 30 HIEDRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000429448847 857674904 /nfs/dbraw/zinc/67/49/04/857674904.db2.gz HFDYKSGEMJJQOY-DYZHCLJRSA-N 0 0 422.916 4.126 20 30 HIEDRN CC(C)(CO)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000437621355 862940641 /nfs/dbraw/zinc/94/06/41/862940641.db2.gz FFVHROIVMKCCQP-FQEVSTJZSA-N 0 0 418.459 4.158 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000429513258 857708604 /nfs/dbraw/zinc/70/86/04/857708604.db2.gz VMCGXABHLYCIRS-UHFFFAOYSA-N 0 0 417.366 4.283 20 30 HIEDRN CCOc1cc2c(cc1NC(=O)N1CC=C(c3ccc(C#N)cc3)CC1)OCCO2 ZINC000429646278 857816813 /nfs/dbraw/zinc/81/68/13/857816813.db2.gz DACNVYLCWRSXRD-UHFFFAOYSA-N 0 0 405.454 4.049 20 30 HIEDRN N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000429674281 857830449 /nfs/dbraw/zinc/83/04/49/857830449.db2.gz KEHVFFUEYWRQGH-AWEZNQCLSA-N 0 0 418.453 4.453 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1-c1ccccc1 ZINC000429714963 857847374 /nfs/dbraw/zinc/84/73/74/857847374.db2.gz HQKCRWIJLOLDJZ-UHFFFAOYSA-N 0 0 413.456 4.283 20 30 HIEDRN COC(=O)COc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c2ccccc12 ZINC000429720207 857849521 /nfs/dbraw/zinc/84/95/21/857849521.db2.gz VMNHTPZUPCKXKJ-UHFFFAOYSA-N 0 0 418.449 4.059 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000429822100 857898239 /nfs/dbraw/zinc/89/82/39/857898239.db2.gz QEKFXFRGRKKREK-LJQANCHMSA-N 0 0 407.520 4.103 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000429884172 857926236 /nfs/dbraw/zinc/92/62/36/857926236.db2.gz KNNHGKNCQLUNEX-UHFFFAOYSA-N 0 0 419.441 4.269 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000429899801 857935931 /nfs/dbraw/zinc/93/59/31/857935931.db2.gz DRXCIJKBDKXATM-HNNXBMFYSA-N 0 0 409.555 4.192 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1 ZINC000429934404 857956248 /nfs/dbraw/zinc/95/62/48/857956248.db2.gz RUTOTRKNPQMJPL-MRXNPFEDSA-N 0 0 415.515 4.332 20 30 HIEDRN N#CCSc1cccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000429954258 857967892 /nfs/dbraw/zinc/96/78/92/857967892.db2.gz UQDWITBPMVJPHA-UHFFFAOYSA-N 0 0 420.460 4.115 20 30 HIEDRN NC(=O)[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000429979705 857981695 /nfs/dbraw/zinc/98/16/95/857981695.db2.gz JWHOHAPLBNHXQV-CYBMUJFWSA-N 0 0 423.288 4.211 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1-c1ccccc1 ZINC000429989498 857985820 /nfs/dbraw/zinc/98/58/20/857985820.db2.gz LEVZPNPBRBBNGC-OAQYLSRUSA-N 0 0 420.900 4.331 20 30 HIEDRN CCN(C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CCCCC1 ZINC000430000712 857990583 /nfs/dbraw/zinc/99/05/83/857990583.db2.gz PSAJSRHBYYZGTD-UHFFFAOYSA-N 0 0 419.525 4.451 20 30 HIEDRN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000430004173 857991737 /nfs/dbraw/zinc/99/17/37/857991737.db2.gz JWFAMAQWDCXIHQ-HNNXBMFYSA-N 0 0 415.453 4.095 20 30 HIEDRN N#CCCN(C(=O)c1cc(Br)c(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000430062729 858018130 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HIEDRN N#Cc1ccc(Oc2cccc(C(=O)NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000430179430 858068487 /nfs/dbraw/zinc/06/84/87/858068487.db2.gz QNOYHOQCBGGVFL-NOZRDPDXSA-N 0 0 416.452 4.386 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000437648476 862981379 /nfs/dbraw/zinc/98/13/79/862981379.db2.gz GVGHNJLKQIUXIZ-ZDUSSCGKSA-N 0 0 407.392 4.419 20 30 HIEDRN CCn1ccnc1[C@H]1CCCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000430186659 858072708 /nfs/dbraw/zinc/07/27/08/858072708.db2.gz OFBAJPKQJYHGDG-GOSISDBHSA-N 0 0 404.436 4.210 20 30 HIEDRN N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430214606 858084570 /nfs/dbraw/zinc/08/45/70/858084570.db2.gz DYXOOXFMMUVWHP-HNNXBMFYSA-N 0 0 408.296 4.297 20 30 HIEDRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000430352118 858130740 /nfs/dbraw/zinc/13/07/40/858130740.db2.gz GZEASKQVAHCQIM-AWEZNQCLSA-N 0 0 417.918 4.027 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(Cl)c1 ZINC000430361176 858133675 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HIEDRN N#Cc1ccc(F)c(CNC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)c1 ZINC000430657013 858251802 /nfs/dbraw/zinc/25/18/02/858251802.db2.gz GLCAWTYTNILVEQ-UHFFFAOYSA-N 0 0 413.408 4.261 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3c4cccc(F)c4CC[C@H]3C)C2)n1 ZINC000430660586 858254731 /nfs/dbraw/zinc/25/47/31/858254731.db2.gz ODZVZKWRAKGXQZ-QRFQSNJMSA-N 0 0 406.505 4.057 20 30 HIEDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000430686924 858269024 /nfs/dbraw/zinc/26/90/24/858269024.db2.gz OMYLHKBWNGNTBG-XDHUDOTRSA-N 0 0 407.489 4.292 20 30 HIEDRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000430686921 858269697 /nfs/dbraw/zinc/26/96/97/858269697.db2.gz OMYLHKBWNGNTBG-BXKMTCNYSA-N 0 0 407.489 4.292 20 30 HIEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cccc(SCC#N)c1)O[C@@H](C)C2 ZINC000430693284 858271547 /nfs/dbraw/zinc/27/15/47/858271547.db2.gz MYVHWHOEAIIGLX-DCPHZVHLSA-N 0 0 408.523 4.310 20 30 HIEDRN C[C@@H](c1ccc(C#N)cc1)N1C(=O)CN(CCc2ccc(Cl)cc2Cl)C1=O 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GEQKKVHPMODLRA-UHFFFAOYSA-N 0 0 401.513 4.053 20 30 HIEDRN C[C@H]1Sc2ccccc2N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1C ZINC000430999811 858398933 /nfs/dbraw/zinc/39/89/33/858398933.db2.gz NFUHFBKWKYEGQN-HZPDHXFCSA-N 0 0 403.511 4.072 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000430999514 858399166 /nfs/dbraw/zinc/39/91/66/858399166.db2.gz LGPFWVSSVRLWHH-IBGZPJMESA-N 0 0 409.555 4.349 20 30 HIEDRN C[C@@H]1[C@H](C)Sc2ccccc2N1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000430999809 858399395 /nfs/dbraw/zinc/39/93/95/858399395.db2.gz NFUHFBKWKYEGQN-CVEARBPZSA-N 0 0 403.511 4.072 20 30 HIEDRN C=CCN1C(=O)N([C@@H](c2nccs2)c2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431051746 858419816 /nfs/dbraw/zinc/41/98/16/858419816.db2.gz QFNMAKRCPIFJPB-WOJBJXKFSA-N 0 0 403.507 4.294 20 30 HIEDRN N#CCC1(CNC(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000431052629 858420363 /nfs/dbraw/zinc/42/03/63/858420363.db2.gz YULDTJXDWHFMOX-UHFFFAOYSA-N 0 0 409.317 4.047 20 30 HIEDRN C[C@H](NC(=O)c1cc(C#N)cs1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000437681260 863023064 /nfs/dbraw/zinc/02/30/64/863023064.db2.gz WNDYYEDIKABWBF-AWEZNQCLSA-N 0 0 407.470 4.431 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3cccnc3)cc2)c(C(F)(F)F)c1 ZINC000437701125 863035583 /nfs/dbraw/zinc/03/55/83/863035583.db2.gz NQMMDNRTMYOVAD-UHFFFAOYSA-N 0 0 417.412 4.118 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000431212181 858506246 /nfs/dbraw/zinc/50/62/46/858506246.db2.gz VYMBHPDASCIVNC-CQSZACIVSA-N 0 0 406.820 4.213 20 30 HIEDRN C=CCn1c(SCc2ccc(OCC(F)(F)F)nc2)nnc1-c1ccccn1 ZINC000431221242 858512719 /nfs/dbraw/zinc/51/27/19/858512719.db2.gz TXOABUWGFPAKRJ-UHFFFAOYSA-N 0 0 407.421 4.155 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1cc2c(cc1OC(F)F)OCO2)c1ccccc1 ZINC000431282002 858544863 /nfs/dbraw/zinc/54/48/63/858544863.db2.gz HKNSNHXNWQKWOW-MRXNPFEDSA-N 0 0 417.412 4.251 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000431327355 858566855 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HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431415335 858603975 /nfs/dbraw/zinc/60/39/75/858603975.db2.gz ROOCQZYQZBKKCQ-HNNXBMFYSA-N 0 0 405.458 4.202 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccc4c(c3)COC4)c2)c1 ZINC000431538009 858661656 /nfs/dbraw/zinc/66/16/56/858661656.db2.gz SKXZWLJVDRCJBS-UHFFFAOYSA-N 0 0 412.449 4.162 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[C@H]3CCCC[C@@H]3O)c2)c1 ZINC000431537559 858661687 /nfs/dbraw/zinc/66/16/87/858661687.db2.gz QBTNUGBBUVHTBO-GCJKJVERSA-N 0 0 420.513 4.263 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)Cc1ccccc1Br)c1ccccc1 ZINC000431618947 858692820 /nfs/dbraw/zinc/69/28/20/858692820.db2.gz RGZXOWJVPZYQCE-SFHVURJKSA-N 0 0 407.333 4.304 20 30 HIEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000431642743 858707526 /nfs/dbraw/zinc/70/75/26/858707526.db2.gz HGHDSMFZPHCBAH-GOSISDBHSA-N 0 0 405.907 4.012 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431643733 858707597 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20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000431794439 858815418 /nfs/dbraw/zinc/81/54/18/858815418.db2.gz LLFPCBWGFQGTJZ-UHFFFAOYSA-N 0 0 419.535 4.049 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC000431810392 858823025 /nfs/dbraw/zinc/82/30/25/858823025.db2.gz GZRDHMBNSADGSC-KRWDZBQOSA-N 0 0 406.408 4.257 20 30 HIEDRN N#Cc1cccc(CNC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000431816089 858825414 /nfs/dbraw/zinc/82/54/14/858825414.db2.gz ZCGXCEVGCCJWMK-UHFFFAOYSA-N 0 0 424.258 4.225 20 30 HIEDRN COC(=O)c1cccc(NC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)c1 ZINC000431826407 858829332 /nfs/dbraw/zinc/82/93/32/858829332.db2.gz WSCMXRDUTHLDRQ-UHFFFAOYSA-N 0 0 412.877 4.107 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000431857959 858842438 /nfs/dbraw/zinc/84/24/38/858842438.db2.gz MQFSSHIELRIJSM-QHCPKHFHSA-N 0 0 409.445 4.457 20 30 HIEDRN C=CCN(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1nc(-c2ccccc2)cs1 ZINC000431901398 858862557 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HIEDRN CN1C(=O)N([C@H](CCCC#N)c2ccccc2)C(=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000432034084 858941945 /nfs/dbraw/zinc/94/19/45/858941945.db2.gz QYWGCEWDWNMWGV-IEBWSBKVSA-N 0 0 401.388 4.474 20 30 HIEDRN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cscc1C#N ZINC000432059118 858957391 /nfs/dbraw/zinc/95/73/91/858957391.db2.gz FGFPXFMYTNNTAG-UHFFFAOYSA-N 0 0 401.797 4.003 20 30 HIEDRN CC1(C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@]2(CCOC2)O1 ZINC000432060646 858959505 /nfs/dbraw/zinc/95/95/05/858959505.db2.gz FNVASBFYXHAMFH-QHCPKHFHSA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@]2(CCOC2)O1 ZINC000432063653 858961423 /nfs/dbraw/zinc/96/14/23/858961423.db2.gz OSFBFJAMAUERRP-CVDCTZTESA-N 0 0 407.470 4.152 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@]2(CCOC2)O1 ZINC000432068405 858964422 /nfs/dbraw/zinc/96/44/22/858964422.db2.gz VSTLERJFASDIED-QHCPKHFHSA-N 0 0 407.470 4.152 20 30 HIEDRN COc1ccc(-c2cc(C(=O)N[C@@H](C)C#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000432120755 859002001 /nfs/dbraw/zinc/00/20/01/859002001.db2.gz RKOVWGABTCTBLL-HNNXBMFYSA-N 0 0 411.465 4.046 20 30 HIEDRN CC[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)Oc1ccccc1Cl ZINC000432172746 859029790 /nfs/dbraw/zinc/02/97/90/859029790.db2.gz AENLUJVKVKHOLG-KRWDZBQOSA-N 0 0 413.905 4.294 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N1CCCCC1 ZINC000432202703 859045127 /nfs/dbraw/zinc/04/51/27/859045127.db2.gz LEXNCIIPIDHVCN-OAHLLOKOSA-N 0 0 410.449 4.012 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000432232156 859059856 /nfs/dbraw/zinc/05/98/56/859059856.db2.gz OBTSRQAPSZGALQ-HNNXBMFYSA-N 0 0 401.747 4.225 20 30 HIEDRN CCOC(=O)C1CCC(O)(COc2ccccc2Oc2ccc(C#N)cc2F)CC1 ZINC000432255113 859071095 /nfs/dbraw/zinc/07/10/95/859071095.db2.gz AFPJPHBACIXITL-UHFFFAOYSA-N 0 0 413.445 4.353 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000432265975 859075510 /nfs/dbraw/zinc/07/55/10/859075510.db2.gz CNRUWDNDWFWDJC-SFHVURJKSA-N 0 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Cc1c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000432458324 859172616 /nfs/dbraw/zinc/17/26/16/859172616.db2.gz FKIDZBSWUULRDX-FQEVSTJZSA-N 0 0 403.486 4.041 20 30 HIEDRN Cc1cnc(C2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)s1 ZINC000432493664 859191777 /nfs/dbraw/zinc/19/17/77/859191777.db2.gz LYVJAYCMLFRMJD-UHFFFAOYSA-N 0 0 405.527 4.249 20 30 HIEDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000432511032 859201234 /nfs/dbraw/zinc/20/12/34/859201234.db2.gz GCLFEUBSFGEWFN-FQEVSTJZSA-N 0 0 406.877 4.099 20 30 HIEDRN C=CCn1c(SCc2ncnn2C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000432531384 859212683 /nfs/dbraw/zinc/21/26/83/859212683.db2.gz OYPPDXLHNPBFLF-ZDUSSCGKSA-N 0 0 415.588 4.234 20 30 HIEDRN CN(C)c1cnc(-c2noc(-c3ccc(Sc4ccccc4C#N)cc3)n2)cn1 ZINC000432537813 859215772 /nfs/dbraw/zinc/21/57/72/859215772.db2.gz WXPYNQLDWDJBPO-UHFFFAOYSA-N 0 0 400.467 4.282 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000432556399 859225160 /nfs/dbraw/zinc/22/51/60/859225160.db2.gz JSQUEWVURBGSRX-SFHVURJKSA-N 0 0 409.534 4.153 20 30 HIEDRN CN(Cc1ccc(Br)s1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432569149 859230791 /nfs/dbraw/zinc/23/07/91/859230791.db2.gz OGPOQGZDYYQZBB-UHFFFAOYSA-N 0 0 420.332 4.150 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000432609309 859254149 /nfs/dbraw/zinc/25/41/49/859254149.db2.gz WXBGPFPPXREZJI-QHCPKHFHSA-N 0 0 407.470 4.152 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000432649719 859273305 /nfs/dbraw/zinc/27/33/05/859273305.db2.gz UKHUVTJPVLYACI-UHFFFAOYSA-N 0 0 415.541 4.499 20 30 HIEDRN COc1ccc(NC(=O)c2cscc2C#N)cc1OCc1cn2ccccc2n1 ZINC000432661784 859279440 /nfs/dbraw/zinc/27/94/40/859279440.db2.gz XISVTJBGBAWNDL-UHFFFAOYSA-N 0 0 404.451 4.107 20 30 HIEDRN COc1ccncc1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000432675514 859285692 /nfs/dbraw/zinc/28/56/92/859285692.db2.gz LRIJDJNORKQTEY-UHFFFAOYSA-N 0 0 402.454 4.057 20 30 HIEDRN C[C@@H](NC(=O)c1cscc1C#N)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000432717016 859315851 /nfs/dbraw/zinc/31/58/51/859315851.db2.gz LJNVANCYYCSIFL-CQSZACIVSA-N 0 0 407.470 4.431 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000432719158 859316706 /nfs/dbraw/zinc/31/67/06/859316706.db2.gz SHGPIYJQQYECEL-UHFFFAOYSA-N 0 0 414.465 4.280 20 30 HIEDRN C[C@H](c1ccccc1)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(N)=O ZINC000432770402 859350723 /nfs/dbraw/zinc/35/07/23/859350723.db2.gz RVLSZVHMBLJZNX-ZHRRBRCNSA-N 0 0 414.465 4.130 20 30 HIEDRN C[C@@H](c1ccccc1)[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(N)=O ZINC000432793337 859363538 /nfs/dbraw/zinc/36/35/38/859363538.db2.gz PMXKLIGXFSUADC-AOMKIAJQSA-N 0 0 414.465 4.130 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](O)C23CCCC3)cc1 ZINC000432850010 859387767 /nfs/dbraw/zinc/38/77/67/859387767.db2.gz HRMXYCCVJBQHBJ-OAQYLSRUSA-N 0 0 407.470 4.270 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000432884255 859407372 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HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000433362565 859660657 /nfs/dbraw/zinc/66/06/57/859660657.db2.gz PDXHMGNBGZKTOU-GOSISDBHSA-N 0 0 402.454 4.237 20 30 HIEDRN C[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)Oc1ccccc1Br ZINC000433369881 859661379 /nfs/dbraw/zinc/66/13/79/859661379.db2.gz AQBVTALMPAADQJ-WBVHZDCISA-N 0 0 401.304 4.105 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1scc(C(C)C)c1C(=O)OCC ZINC000467650823 881448033 /nfs/dbraw/zinc/44/80/33/881448033.db2.gz ONBSDSDRZSLZDW-UHFFFAOYSA-N 0 0 420.556 4.263 20 30 HIEDRN C=CCn1c2nnc(SCc3ccn(C(CC)CC)n3)n2c2ccccc2c1=O ZINC000433375003 859664565 /nfs/dbraw/zinc/66/45/65/859664565.db2.gz OJHLTZACZCZTRZ-UHFFFAOYSA-N 0 0 408.531 4.080 20 30 HIEDRN Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000433399099 859677613 /nfs/dbraw/zinc/67/76/13/859677613.db2.gz HKUHQLPCUCIQOC-OAQYLSRUSA-N 0 0 401.470 4.132 20 30 HIEDRN CC(C)OC[C@@H](CO)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000433490338 859729560 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HIEDRN C=CCC[C@@H](NC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccc1 ZINC000435096909 860640531 /nfs/dbraw/zinc/64/05/31/860640531.db2.gz PQYBZSPTRGZVNA-DHIUTWEWSA-N 0 0 405.542 4.227 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1)c1ccccc1 ZINC000435106395 860644136 /nfs/dbraw/zinc/64/41/36/860644136.db2.gz AZCXRHHKEUZGFN-NRFANRHFSA-N 0 0 406.530 4.458 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000435108817 860644782 /nfs/dbraw/zinc/64/47/82/860644782.db2.gz OZUYURURBXRYNE-JOCHJYFZSA-N 0 0 409.505 4.391 20 30 HIEDRN C=CCC[C@H](NC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccccc1 ZINC000435116866 860648384 /nfs/dbraw/zinc/64/83/84/860648384.db2.gz QTBLKZDJJGYRPJ-QFIPXVFZSA-N 0 0 417.513 4.029 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000435138346 860660227 /nfs/dbraw/zinc/66/02/27/860660227.db2.gz JBRLHIHOEYZDRX-MRXNPFEDSA-N 0 0 412.540 4.358 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 ZINC000435143345 860663483 /nfs/dbraw/zinc/66/34/83/860663483.db2.gz PDMYTUPWLSACAZ-MRXNPFEDSA-N 0 0 423.542 4.328 20 30 HIEDRN COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435151689 860667015 /nfs/dbraw/zinc/66/70/15/860667015.db2.gz KPICWGHOUZVWLH-UHFFFAOYSA-N 0 0 418.824 4.060 20 30 HIEDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CO1 ZINC000435157295 860669051 /nfs/dbraw/zinc/66/90/51/860669051.db2.gz KYLLUAYCIGGMSM-AUUYWEPGSA-N 0 0 424.444 4.036 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C(F)(F)F ZINC000435164415 860673141 /nfs/dbraw/zinc/67/31/41/860673141.db2.gz ITAMFWMAPNRRSK-MJGOQNOKSA-N 0 0 419.428 4.038 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(C#N)c4)CC3)s2)cc1 ZINC000435179470 860681066 /nfs/dbraw/zinc/68/10/66/860681066.db2.gz YVKCCSFJASSIMY-UHFFFAOYSA-N 0 0 417.519 4.244 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(F)ccc1Br ZINC000435205224 860694656 /nfs/dbraw/zinc/69/46/56/860694656.db2.gz AGAJRAXQIKSBOB-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1Br ZINC000435225855 860699763 /nfs/dbraw/zinc/69/97/63/860699763.db2.gz JDNBSJXDJHXLSQ-AWEZNQCLSA-N 0 0 407.333 4.401 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435259078 860706792 /nfs/dbraw/zinc/70/67/92/860706792.db2.gz VATDFHKATFFDSG-UHFFFAOYSA-N 0 0 417.509 4.253 20 30 HIEDRN CC(=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339461 860749167 /nfs/dbraw/zinc/74/91/67/860749167.db2.gz UEMWNIJNOKTRJI-DYLHUKMJSA-N 0 0 417.309 4.383 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435354464 860755870 /nfs/dbraw/zinc/75/58/70/860755870.db2.gz QNMCRIDMZBWWKL-GXTWGEPZSA-N 0 0 409.433 4.207 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3nc4ccccc4n3CCc3ccccn3)CC2)c1 ZINC000435354981 860755885 /nfs/dbraw/zinc/75/58/85/860755885.db2.gz DCYITVBTDPRFSD-UHFFFAOYSA-N 0 0 407.477 4.216 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)cc1C#N ZINC000435356089 860757213 /nfs/dbraw/zinc/75/72/13/860757213.db2.gz QMPUEPJNEMJGGT-UHFFFAOYSA-N 0 0 411.355 4.272 20 30 HIEDRN Cc1cc(C)nc(-n2cc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c(C(C)C)n2)n1 ZINC000435357109 860757978 /nfs/dbraw/zinc/75/79/78/860757978.db2.gz KPFHDQNXMWOZSK-UHFFFAOYSA-N 0 0 418.501 4.314 20 30 HIEDRN COc1cc(NC(C)=O)ccc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000435357635 860758334 /nfs/dbraw/zinc/75/83/34/860758334.db2.gz WJYFNKDQJBEJIR-UHFFFAOYSA-N 0 0 415.449 4.357 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(OCc4cn5ccccc5n4)cc3)CC2)c1 ZINC000435365819 860764326 /nfs/dbraw/zinc/76/43/26/860764326.db2.gz XRJBYOHBEKARAZ-UHFFFAOYSA-N 0 0 408.461 4.455 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)cc1C#N ZINC000435391371 860782255 /nfs/dbraw/zinc/78/22/55/860782255.db2.gz WHDBTPRDKUMEQR-HNNXBMFYSA-N 0 0 421.526 4.205 20 30 HIEDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)n2)n1 ZINC000435392520 860782848 /nfs/dbraw/zinc/78/28/48/860782848.db2.gz WWTHIDZHTIVCPQ-UHFFFAOYSA-N 0 0 409.877 4.449 20 30 HIEDRN CC[C@@](C)(COc1ncccc1Cl)NC(=O)CSCc1ccc(C#N)cc1 ZINC000435408750 860789051 /nfs/dbraw/zinc/78/90/51/860789051.db2.gz XVEYBSKUAGBUDF-FQEVSTJZSA-N 0 0 403.935 4.204 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)c1ccc(F)c(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000435415528 860792878 /nfs/dbraw/zinc/79/28/78/860792878.db2.gz KSKCZHRNGXUWLL-IAGOWNOFSA-N 0 0 408.481 4.130 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)s1 ZINC000435422399 860794991 /nfs/dbraw/zinc/79/49/91/860794991.db2.gz LWXILQPVEGUTOI-QGZVFWFLSA-N 0 0 416.503 4.065 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000435424537 860795627 /nfs/dbraw/zinc/79/56/27/860795627.db2.gz ADXWKAWLAVHKSS-AWEZNQCLSA-N 0 0 418.487 4.117 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000435424538 860795757 /nfs/dbraw/zinc/79/57/57/860795757.db2.gz ADXWKAWLAVHKSS-CQSZACIVSA-N 0 0 418.487 4.117 20 30 HIEDRN CCN([C@@H](C)Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431181 860797154 /nfs/dbraw/zinc/79/71/54/860797154.db2.gz HIOSTRWWQHGADG-LBPRGKRZSA-N 0 0 402.463 4.280 20 30 HIEDRN CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)s2)C(C)(C)O1 ZINC000435434423 860797776 /nfs/dbraw/zinc/79/77/76/860797776.db2.gz YAHNQGZNSZPRLJ-QGZVFWFLSA-N 0 0 404.557 4.157 20 30 HIEDRN COCCN([C@@H](C)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435439236 860798923 /nfs/dbraw/zinc/79/89/23/860798923.db2.gz UEWDRUSHYCLVAV-LBPRGKRZSA-N 0 0 418.462 4.037 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435438634 860798955 /nfs/dbraw/zinc/79/89/55/860798955.db2.gz QUPZTUWPJBYUSP-QGZVFWFLSA-N 0 0 400.529 4.076 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435438633 860799022 /nfs/dbraw/zinc/79/90/22/860799022.db2.gz QUPZTUWPJBYUSP-KRWDZBQOSA-N 0 0 400.529 4.076 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1C#N ZINC000435442990 860800744 /nfs/dbraw/zinc/80/07/44/860800744.db2.gz LKGUNJADNLNYDD-UHFFFAOYSA-N 0 0 419.525 4.155 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1C#N ZINC000435447408 860802242 /nfs/dbraw/zinc/80/22/42/860802242.db2.gz GRNCLFMSEFSZDV-UHFFFAOYSA-N 0 0 400.482 4.134 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1C#N ZINC000435472362 860810856 /nfs/dbraw/zinc/81/08/56/860810856.db2.gz FLTDQLZVKKLVMK-UHFFFAOYSA-N 0 0 407.514 4.359 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000435484263 860816060 /nfs/dbraw/zinc/81/60/60/860816060.db2.gz VXWSYFMPFTVCPF-CYBMUJFWSA-N 0 0 419.403 4.180 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000435484264 860816131 /nfs/dbraw/zinc/81/61/31/860816131.db2.gz VXWSYFMPFTVCPF-ZDUSSCGKSA-N 0 0 419.403 4.180 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1C#N ZINC000435486504 860817051 /nfs/dbraw/zinc/81/70/51/860817051.db2.gz HYPQKUSEGGYECS-LJQANCHMSA-N 0 0 411.889 4.301 20 30 HIEDRN C=CCn1c(C)nnc1SCc1ccc(I)c(Cl)c1 ZINC000435492265 860819913 /nfs/dbraw/zinc/81/99/13/860819913.db2.gz WJGBQTUDVHTDBB-UHFFFAOYSA-N 0 0 405.692 4.323 20 30 HIEDRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000467767709 881584978 /nfs/dbraw/zinc/58/49/78/881584978.db2.gz FCKCTIBQTFKMCS-YFXJRYMSSA-N 0 0 415.537 4.001 20 30 HIEDRN CCOc1c(OC)cc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1OC ZINC000435536860 860850830 /nfs/dbraw/zinc/85/08/30/860850830.db2.gz MLGAWJIBZIQYCI-UHFFFAOYSA-N 0 0 413.474 4.083 20 30 HIEDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)n1 ZINC000435542142 860856249 /nfs/dbraw/zinc/85/62/49/860856249.db2.gz BFGQSWUPOOVWDL-CQSZACIVSA-N 0 0 421.457 4.287 20 30 HIEDRN COc1ccc(C2(CNC(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCOCC2)cc1 ZINC000435544573 860858588 /nfs/dbraw/zinc/85/85/88/860858588.db2.gz FGQXCGODWJAYLZ-UHFFFAOYSA-N 0 0 423.513 4.224 20 30 HIEDRN COC(=O)C1(c2ccccc2)CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000435549880 860865724 /nfs/dbraw/zinc/86/57/24/860865724.db2.gz CIFTZAMLBBPUOU-UHFFFAOYSA-N 0 0 421.497 4.084 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C#N ZINC000435551381 860867259 /nfs/dbraw/zinc/86/72/59/860867259.db2.gz LHXCSTSBLLQEMX-LJQANCHMSA-N 0 0 407.470 4.486 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C#N ZINC000435551380 860867327 /nfs/dbraw/zinc/86/73/27/860867327.db2.gz LHXCSTSBLLQEMX-IBGZPJMESA-N 0 0 407.470 4.486 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1C#N ZINC000435555664 860874524 /nfs/dbraw/zinc/87/45/24/860874524.db2.gz HSDYZIUECRRMPT-INIZCTEOSA-N 0 0 406.486 4.355 20 30 HIEDRN C[C@@H]1COCC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000435556472 860875841 /nfs/dbraw/zinc/87/58/41/860875841.db2.gz MESCXBRILOXEFL-ABAIWWIYSA-N 0 0 409.433 4.235 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)NCc2nccn2CCCc2ccccc2)cc1C#N ZINC000435556262 860875965 /nfs/dbraw/zinc/87/59/65/860875965.db2.gz KWROWTXIYLVSPD-UHFFFAOYSA-N 0 0 417.513 4.496 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc(OC)c1OC ZINC000435567168 860888144 /nfs/dbraw/zinc/88/81/44/860888144.db2.gz QBMSGBFHMIGHAS-CQSZACIVSA-N 0 0 413.474 4.254 20 30 HIEDRN C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435630204 860927474 /nfs/dbraw/zinc/92/74/74/860927474.db2.gz WIOHRVJBQNIORU-OAHLLOKOSA-N 0 0 407.470 4.487 20 30 HIEDRN Cc1cccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000435663168 860942073 /nfs/dbraw/zinc/94/20/73/860942073.db2.gz NGHQDTBLXUOLOP-UHFFFAOYSA-N 0 0 403.413 4.053 20 30 HIEDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(C#N)oc1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000435681213 860963051 /nfs/dbraw/zinc/96/30/51/860963051.db2.gz JIZOCVFSXLCZPD-UZUQRXQVSA-N 0 0 421.541 4.086 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435682682 860965539 /nfs/dbraw/zinc/96/55/39/860965539.db2.gz OALNCRYNRQONLU-UHFFFAOYSA-N 0 0 423.238 4.333 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000435705265 860987010 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CCN(C(=O)c1ccc(C#N)cc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000438835492 864329846 /nfs/dbraw/zinc/32/98/46/864329846.db2.gz NNJBIQGUWJWLCX-UHFFFAOYSA-N 0 0 405.546 4.220 20 30 HIEDRN Cc1cc(C)n(-c2ccc(CCNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)n1 ZINC000438842654 864335998 /nfs/dbraw/zinc/33/59/98/864335998.db2.gz QAXKAZYFKDZVDI-HSZRJFAPSA-N 0 0 401.514 4.376 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000467892368 881753394 /nfs/dbraw/zinc/75/33/94/881753394.db2.gz IYORSAYNNQXQTM-OAQYLSRUSA-N 0 0 417.509 4.404 20 30 HIEDRN COc1cc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)ccc1OCC(F)(F)F ZINC000438845087 864340674 /nfs/dbraw/zinc/34/06/74/864340674.db2.gz ZXAULRHFYPKONI-KRWDZBQOSA-N 0 0 421.419 4.481 20 30 HIEDRN CCc1ccc(CC)c(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 ZINC000438846586 864342611 /nfs/dbraw/zinc/34/26/11/864342611.db2.gz ABFQZOQPAIWVJB-UHFFFAOYSA-N 0 0 416.529 4.205 20 30 HIEDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438854591 864349421 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HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000439178772 864607308 /nfs/dbraw/zinc/60/73/08/864607308.db2.gz QIIFYCYJWLXJBT-UHFFFAOYSA-N 0 0 421.497 4.493 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc(C(=O)NCC)cc2)cnn1-c1cccc(C#N)c1 ZINC000439224713 864642308 /nfs/dbraw/zinc/64/23/08/864642308.db2.gz RFUZBEZBPMXWIC-UHFFFAOYSA-N 0 0 416.485 4.090 20 30 HIEDRN Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000467920034 881791456 /nfs/dbraw/zinc/79/14/56/881791456.db2.gz RGUQCHFMPYRHDZ-UHFFFAOYSA-N 0 0 406.314 4.602 20 30 HIEDRN Cc1nsc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1C#N ZINC000439289739 864711118 /nfs/dbraw/zinc/71/11/18/864711118.db2.gz OSQLHIRRUDIWHL-UHFFFAOYSA-N 0 0 410.459 4.024 20 30 HIEDRN N#CCC[C@@H](NC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000439295013 864719903 /nfs/dbraw/zinc/71/99/03/864719903.db2.gz KRPVFGCSSHCOBF-QGZVFWFLSA-N 0 0 404.392 4.145 20 30 HIEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)ccc1F ZINC000439320022 864756333 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HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC000439342991 864781988 /nfs/dbraw/zinc/78/19/88/864781988.db2.gz AIQVRBDZNIWSHO-UHFFFAOYSA-N 0 0 410.861 4.058 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2C)c1 ZINC000439349507 864790709 /nfs/dbraw/zinc/79/07/09/864790709.db2.gz BMACYVJFIOSXTE-UHFFFAOYSA-N 0 0 422.403 4.468 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1=O ZINC000439357626 864800264 /nfs/dbraw/zinc/80/02/64/864800264.db2.gz WLYVLXFYKUROEM-FPOVZHCZSA-N 0 0 422.916 4.246 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@@]34CCCc3ccccc34)C2)c(F)c1 ZINC000439357272 864800319 /nfs/dbraw/zinc/80/03/19/864800319.db2.gz VXJCKFANBXNNPK-PIBDYAPNSA-N 0 0 403.501 4.077 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c1 ZINC000439359946 864801478 /nfs/dbraw/zinc/80/14/78/864801478.db2.gz PPLIXBHYIWSAIC-UHFFFAOYSA-N 0 0 422.460 4.160 20 30 HIEDRN CCCc1c(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cnn1-c1cccc(C#N)c1 ZINC000439369171 864804757 /nfs/dbraw/zinc/80/47/57/864804757.db2.gz IUXKBNPDTMZTER-JOCHJYFZSA-N 0 0 417.517 4.189 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439382806 864811865 /nfs/dbraw/zinc/81/18/65/864811865.db2.gz DTSFDELSVPNDSJ-QHCPKHFHSA-N 0 0 402.535 4.362 20 30 HIEDRN CCN(C(=O)c1cc(NC(=O)NCCc2cccc(C#N)c2)ccc1Cl)C(C)C ZINC000439393826 864816959 /nfs/dbraw/zinc/81/69/59/864816959.db2.gz BIXVINPWVKYRNA-UHFFFAOYSA-N 0 0 412.921 4.446 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CS(=O)(=O)c4ccccc43)cc2)c1 ZINC000439395781 864817426 /nfs/dbraw/zinc/81/74/26/864817426.db2.gz KBYJFXUYJAYAKL-HXUWFJFHSA-N 0 0 419.462 4.001 20 30 HIEDRN CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000439425619 864827846 /nfs/dbraw/zinc/82/78/46/864827846.db2.gz UWZKCVUDCRBGDV-MRXNPFEDSA-N 0 0 402.248 4.475 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1)c1ccccc1 ZINC000439429616 864829381 /nfs/dbraw/zinc/82/93/81/864829381.db2.gz IHWGRSYYHYMTFY-JOCHJYFZSA-N 0 0 404.514 4.167 20 30 HIEDRN CCO[C@H](C)c1nc(CN2CCN(Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439430732 864829492 /nfs/dbraw/zinc/82/94/92/864829492.db2.gz KCARJBATAVPSKN-OAHLLOKOSA-N 0 0 404.967 4.083 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccccc1COc1ccccc1)c1ccccc1 ZINC000439445624 864834383 /nfs/dbraw/zinc/83/43/83/864834383.db2.gz DBFHMBMKZGJJOD-JOCHJYFZSA-N 0 0 413.477 4.365 20 30 HIEDRN CC(C)(C)c1nc2cc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)ccc2o1 ZINC000439455546 864838015 /nfs/dbraw/zinc/83/80/15/864838015.db2.gz VGAZKMYKXBQRGT-KRWDZBQOSA-N 0 0 404.470 4.225 20 30 HIEDRN CC(C)(C)c1nc2cc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)ccc2o1 ZINC000439455547 864838413 /nfs/dbraw/zinc/83/84/13/864838413.db2.gz VGAZKMYKXBQRGT-QGZVFWFLSA-N 0 0 404.470 4.225 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1C(F)(F)F ZINC000439458581 864839325 /nfs/dbraw/zinc/83/93/25/864839325.db2.gz SRERIUQELUGXPD-AWEZNQCLSA-N 0 0 401.747 4.225 20 30 HIEDRN N#CCC[C@@H](NC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000439484533 864848494 /nfs/dbraw/zinc/84/84/94/864848494.db2.gz FMANPEBAXODSPV-GOSISDBHSA-N 0 0 421.892 4.360 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)C1=O ZINC000439503346 864855971 /nfs/dbraw/zinc/85/59/71/864855971.db2.gz ILZHIFPPZOLJDW-AVRDEDQJSA-N 0 0 407.514 4.386 20 30 HIEDRN COCCn1c(C)cc(C(=O)CSCc2ccc(C#N)cc2OC(F)F)c1C ZINC000439537435 864869065 /nfs/dbraw/zinc/86/90/65/864869065.db2.gz RXNVPGCFDBZYTC-UHFFFAOYSA-N 0 0 408.470 4.341 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000439537384 864869137 /nfs/dbraw/zinc/86/91/37/864869137.db2.gz YSVJYDBZBQGXPG-WIYYLYMNSA-N 0 0 423.509 4.107 20 30 HIEDRN N#Cc1ccc(CSCCC(=O)Nc2ccc3c(c2)OCO3)c(OC(F)F)c1 ZINC000439541232 864870795 /nfs/dbraw/zinc/87/07/95/864870795.db2.gz LTZDGNLMVXKIGK-UHFFFAOYSA-N 0 0 406.410 4.150 20 30 HIEDRN N#Cc1ccc(CSCC(=O)NCCc2ccc(Cl)cc2)c(OC(F)F)c1 ZINC000439546649 864874226 /nfs/dbraw/zinc/87/42/26/864874226.db2.gz WQYBDMFGCQOPEQ-UHFFFAOYSA-N 0 0 410.873 4.405 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1ccccc1F ZINC000439547834 864874937 /nfs/dbraw/zinc/87/49/37/864874937.db2.gz YBHZNOXICQVPHJ-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cnn1C ZINC000467941111 881811872 /nfs/dbraw/zinc/81/18/72/881811872.db2.gz AWSRIPDLADBHKQ-UNMCSNQZSA-N 0 0 402.454 4.109 20 30 HIEDRN COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2OC(F)F)n1C ZINC000439549353 864875951 /nfs/dbraw/zinc/87/59/51/864875951.db2.gz ZJURCELZDQVNEI-UHFFFAOYSA-N 0 0 402.426 4.256 20 30 HIEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(COc2cc(C)ccc2C(C)C)cc1 ZINC000439561734 864886805 /nfs/dbraw/zinc/88/68/05/864886805.db2.gz JDFXAAXNUSSXHI-IBGZPJMESA-N 0 0 407.514 4.444 20 30 HIEDRN C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000439572536 864894699 /nfs/dbraw/zinc/89/46/99/864894699.db2.gz NRAVLFQTSYVMLO-QGZVFWFLSA-N 0 0 402.454 4.279 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000439586095 864908920 /nfs/dbraw/zinc/90/89/20/864908920.db2.gz GYAAOYBGGYOBNY-UHFFFAOYSA-N 0 0 417.431 4.498 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000439602149 864926468 /nfs/dbraw/zinc/92/64/68/864926468.db2.gz PUROHWWYAJZYDM-UHFFFAOYSA-N 0 0 414.550 4.097 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000439606805 864928396 /nfs/dbraw/zinc/92/83/96/864928396.db2.gz MDSINJKGKHTCIP-UHFFFAOYSA-N 0 0 424.467 4.032 20 30 HIEDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)c(C)c1 ZINC000439607611 864930686 /nfs/dbraw/zinc/93/06/86/864930686.db2.gz SQWTVIIDXGVRHV-QGZVFWFLSA-N 0 0 410.543 4.162 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000439611727 864935209 /nfs/dbraw/zinc/93/52/09/864935209.db2.gz NELLZEZMRGBUHH-UHFFFAOYSA-N 0 0 411.477 4.132 20 30 HIEDRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000439651788 864978211 /nfs/dbraw/zinc/97/82/11/864978211.db2.gz HDZFERZROLZUKE-QHCPKHFHSA-N 0 0 418.541 4.112 20 30 HIEDRN N#CCC[C@H](NC(=O)c1cc(F)ccc1I)c1ccccc1 ZINC000439658033 864985050 /nfs/dbraw/zinc/98/50/50/864985050.db2.gz JQEITEJUZQZKFO-INIZCTEOSA-N 0 0 408.214 4.205 20 30 HIEDRN Cc1nnc(SCC(=O)N[C@@H](CCC#N)c2ccccc2)n1-c1cc(C)ccc1C ZINC000439658194 864986255 /nfs/dbraw/zinc/98/62/55/864986255.db2.gz LLRQQBXUIRJABQ-FQEVSTJZSA-N 0 0 419.554 4.446 20 30 HIEDRN CCCc1c(NC(=O)N[C@H]2CCOc3ccc(F)cc32)cnn1-c1cccc(C#N)c1 ZINC000439660398 864989315 /nfs/dbraw/zinc/98/93/15/864989315.db2.gz BNWBULUKDUKUEW-IBGZPJMESA-N 0 0 419.460 4.481 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000439664648 864994215 /nfs/dbraw/zinc/99/42/15/864994215.db2.gz PFGOOYIVQIGJQY-UHFFFAOYSA-N 0 0 422.485 4.263 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC000439666297 864995687 /nfs/dbraw/zinc/99/56/87/864995687.db2.gz OLPYNJNXVQEILV-HNNXBMFYSA-N 0 0 418.457 4.487 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC000439666298 864996315 /nfs/dbraw/zinc/99/63/15/864996315.db2.gz OLPYNJNXVQEILV-OAHLLOKOSA-N 0 0 418.457 4.487 20 30 HIEDRN N#CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)c1ccccc1 ZINC000439668638 864999662 /nfs/dbraw/zinc/99/96/62/864999662.db2.gz BHTCSQLGYZILQN-ICSRJNTNSA-N 0 0 408.477 4.231 20 30 HIEDRN CCCc1c(NC(=O)NC[C@]2(O)CCCC(C)(C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669305 865001357 /nfs/dbraw/zinc/00/13/57/865001357.db2.gz WQEGIFRMTDTSME-QHCPKHFHSA-N 0 0 409.534 4.149 20 30 HIEDRN CCn1c(SCC(=O)N[C@@H](CCC#N)c2ccccc2)nnc1-c1cccs1 ZINC000439674616 865007055 /nfs/dbraw/zinc/00/70/55/865007055.db2.gz QPAKTVHZNNFTOV-INIZCTEOSA-N 0 0 411.556 4.280 20 30 HIEDRN COc1ccc(-c2noc(CCCC(=O)N[C@@H](CCC#N)c3ccccc3)n2)cc1 ZINC000439673732 865007301 /nfs/dbraw/zinc/00/73/01/865007301.db2.gz OFIOJUITBBBVRF-FQEVSTJZSA-N 0 0 404.470 4.229 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000439673690 865007380 /nfs/dbraw/zinc/00/73/80/865007380.db2.gz NQYKJURVAUVREJ-OAQYLSRUSA-N 0 0 405.885 4.325 20 30 HIEDRN CCCc1c(NC(=O)NCCc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 ZINC000439674947 865008453 /nfs/dbraw/zinc/00/84/53/865008453.db2.gz RVRNXLZSRYKJAD-UHFFFAOYSA-N 0 0 403.486 4.069 20 30 HIEDRN CCCc1c(NC(=O)N2CCOC[C@@H]2c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439681397 865016242 /nfs/dbraw/zinc/01/62/42/865016242.db2.gz JGBNCDVYKGVRRZ-HSZRJFAPSA-N 0 0 415.497 4.302 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](C)CNc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439680800 865016422 /nfs/dbraw/zinc/01/64/22/865016422.db2.gz GUJBBPUYLGJFDN-KRWDZBQOSA-N 0 0 402.502 4.319 20 30 HIEDRN CCCc1c(NC(=O)NCCc2nc(C)c(C)s2)cnn1-c1cccc(C#N)c1 ZINC000439681950 865017288 /nfs/dbraw/zinc/01/72/88/865017288.db2.gz CCUWRWKWPUGLRH-UHFFFAOYSA-N 0 0 408.531 4.134 20 30 HIEDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000439684731 865019799 /nfs/dbraw/zinc/01/97/99/865019799.db2.gz LURDTBWBQYKHPG-UHFFFAOYSA-N 0 0 406.486 4.461 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H]2COc3ccc(F)cc32)cnn1-c1cccc(C#N)c1 ZINC000439686373 865021604 /nfs/dbraw/zinc/02/16/04/865021604.db2.gz ISKQBIHXYKIXSO-LJQANCHMSA-N 0 0 405.433 4.091 20 30 HIEDRN CCCc1c(NC(=O)N(CC)CCc2nccs2)cnn1-c1cccc(C#N)c1 ZINC000439685931 865021659 /nfs/dbraw/zinc/02/16/59/865021659.db2.gz QYTVGILYONMGCU-UHFFFAOYSA-N 0 0 408.531 4.249 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc(CCOC)no2)cc1 ZINC000439694143 865030931 /nfs/dbraw/zinc/03/09/31/865030931.db2.gz OABZWRMJHUWJLX-UHFFFAOYSA-N 0 0 413.861 4.396 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)cnn1-c1cccc(C#N)c1 ZINC000439700153 865036509 /nfs/dbraw/zinc/03/65/09/865036509.db2.gz GMHLGEBHBMZNKS-FYYLOGMGSA-N 0 0 407.518 4.023 20 30 HIEDRN CCCc1c(NC(=O)NC[C@H](C)c2nc(C)cs2)cnn1-c1cccc(C#N)c1 ZINC000439701896 865038491 /nfs/dbraw/zinc/03/84/91/865038491.db2.gz LZFKYFGBBJSOBF-AWEZNQCLSA-N 0 0 408.531 4.387 20 30 HIEDRN CCCc1c(NC(=O)NCCc2csc(CC)n2)cnn1-c1cccc(C#N)c1 ZINC000439704723 865042327 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N#Cc1c(Br)cccc1N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000439973314 865265940 /nfs/dbraw/zinc/26/59/40/865265940.db2.gz RWVABKOCZWFVKI-UHFFFAOYSA-N 0 0 407.315 4.323 20 30 HIEDRN CCOc1ccc(C(=O)N[C@H](C(=O)N[C@H](CCC#N)c2ccccc2)C(C)C)cc1 ZINC000440033466 865317635 /nfs/dbraw/zinc/31/76/35/865317635.db2.gz CRAPJRPHOJGULO-YADHBBJMSA-N 0 0 407.514 4.001 20 30 HIEDRN N#Cc1ccc(CS(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c(F)c1 ZINC000440052666 865328762 /nfs/dbraw/zinc/32/87/62/865328762.db2.gz LOTORTSCWIDZOD-UHFFFAOYSA-N 0 0 424.497 4.034 20 30 HIEDRN CCc1nc(C(=O)N(C)c2ccc(C#N)cc2)nn1-c1c(Cl)cccc1Cl ZINC000440056992 865330085 /nfs/dbraw/zinc/33/00/85/865330085.db2.gz ZFNDBOVMVVYGSU-UHFFFAOYSA-N 0 0 400.269 4.285 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440059485 865332258 /nfs/dbraw/zinc/33/22/58/865332258.db2.gz FJUGURFCLWVWLU-UGSOOPFHSA-N 0 0 420.271 4.369 20 30 HIEDRN CCCc1c(NC(=O)c2ccccc2[S@](=O)CC)cnn1-c1cccc(C#N)c1 ZINC000440077996 865343070 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C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc(Oc3ccccc3)c(C#N)c1)C[C@@H](C)O2 ZINC000448066221 871891737 /nfs/dbraw/zinc/89/17/37/871891737.db2.gz KDFZNIRIADHUKV-SEPYTNNBSA-N 0 0 407.470 4.151 20 30 HIEDRN COc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1C(F)(F)F ZINC000448067011 871892300 /nfs/dbraw/zinc/89/23/00/871892300.db2.gz GYQNKBUWKRYOGR-UHFFFAOYSA-N 0 0 418.419 4.330 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(F)(F)F)c(OC)c1 ZINC000448080435 871899653 /nfs/dbraw/zinc/89/96/53/871899653.db2.gz MZGBJRSZDSZZEQ-UHFFFAOYSA-N 0 0 407.392 4.266 20 30 HIEDRN N#Cc1ccc(CNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cc1 ZINC000448112231 871959819 /nfs/dbraw/zinc/95/98/19/871959819.db2.gz RRRYZBQUQPHDSN-LJQANCHMSA-N 0 0 413.319 4.107 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000448138880 872014121 /nfs/dbraw/zinc/01/41/21/872014121.db2.gz WNIHZGCINADESU-QGZVFWFLSA-N 0 0 406.960 4.131 20 30 HIEDRN Cc1nnc(-c2cccc(NC(=O)c3ccc(COc4ccccc4C#N)o3)c2)n1C ZINC000448183446 872060898 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C[C@H]1CC[C@H](C)N1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000468568224 882628391 /nfs/dbraw/zinc/62/83/91/882628391.db2.gz BVQJJEOJRLSMSS-STQMWFEESA-N 0 0 422.476 4.436 20 30 HIEDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000460153887 872683236 /nfs/dbraw/zinc/68/32/36/872683236.db2.gz ZQIOXPAVOVVWFE-HNNXBMFYSA-N 0 0 420.488 4.444 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468574700 882643221 /nfs/dbraw/zinc/64/32/21/882643221.db2.gz DGLPGNHSVUKWGC-IBGZPJMESA-N 0 0 415.440 4.077 20 30 HIEDRN C=CCc1cc(CNC(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc(OC)c1OC ZINC000460168715 872720707 /nfs/dbraw/zinc/72/07/07/872720707.db2.gz ZAFIHJIHWMEIMC-VWLOTQADSA-N 0 0 422.525 4.112 20 30 HIEDRN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1F ZINC000468576452 882645983 /nfs/dbraw/zinc/64/59/83/882645983.db2.gz MYOHPYAZGGWCSN-KRWDZBQOSA-N 0 0 405.832 4.332 20 30 HIEDRN CCn1c(-c2cccc3cccnc32)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC000460211147 872796689 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HIEDRN COCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000460347981 872965143 /nfs/dbraw/zinc/96/51/43/872965143.db2.gz KIQJAAHYNGVGMV-MSOLQXFVSA-N 0 0 404.388 4.240 20 30 HIEDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(CCOC)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000460353246 872974998 /nfs/dbraw/zinc/97/49/98/872974998.db2.gz PTNBATCRVLBTFC-XUEUYAKLSA-N 0 0 420.509 4.063 20 30 HIEDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(CCOC)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000460353244 872977266 /nfs/dbraw/zinc/97/72/66/872977266.db2.gz PTNBATCRVLBTFC-QGCDCVKKSA-N 0 0 420.509 4.063 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OC)C[C@H]1C ZINC000460366798 873000732 /nfs/dbraw/zinc/00/07/32/873000732.db2.gz AMZQGVRRLCGFIP-OLZOCXBDSA-N 0 0 411.369 4.349 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N(CCO)Cc1cc(Br)cs1 ZINC000460367366 873001707 /nfs/dbraw/zinc/00/17/07/873001707.db2.gz DFBFRKUFKJTYIS-ZDUSSCGKSA-N 0 0 413.385 4.191 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(CC)CCc1nccs1 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C[C@@H]1CCC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 ZINC000461855881 875002312 /nfs/dbraw/zinc/00/23/12/875002312.db2.gz AANOSNUETITXRO-UZKOGDIHSA-N 0 0 423.561 4.313 20 30 HIEDRN C[C@@H]1CCCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461856494 875002365 /nfs/dbraw/zinc/00/23/65/875002365.db2.gz ATWZUSAMIBHMFS-WIYYLYMNSA-N 0 0 409.534 4.067 20 30 HIEDRN CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 ZINC000461861223 875010805 /nfs/dbraw/zinc/01/08/05/875010805.db2.gz GQKPRYSQOVDLGD-FCHUYYIVSA-N 0 0 423.561 4.171 20 30 HIEDRN Cc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1NC(=O)C(C)(C)C ZINC000461879909 875033182 /nfs/dbraw/zinc/03/31/82/875033182.db2.gz BUXMZDNCLXPYOQ-UHFFFAOYSA-N 0 0 406.486 4.146 20 30 HIEDRN N#Cc1cc(Br)ccc1OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000468845673 882887995 /nfs/dbraw/zinc/88/79/95/882887995.db2.gz DRVCFGBYLZJQTO-UHFFFAOYSA-N 0 0 411.255 4.423 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000461889474 875038757 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882899071 /nfs/dbraw/zinc/89/90/71/882899071.db2.gz GJATUSYDVDBRQA-UHFFFAOYSA-N 0 0 416.403 4.471 20 30 HIEDRN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000462023292 875139478 /nfs/dbraw/zinc/13/94/78/875139478.db2.gz PKILPDZCHUULHZ-SFTDATJTSA-N 0 0 414.513 4.638 20 30 HIEDRN C[C@@H](C(=O)NCc1cc(Br)ccc1OC(F)F)c1cccc(C#N)c1 ZINC000462026852 875142305 /nfs/dbraw/zinc/14/23/05/875142305.db2.gz JYVUFRKTGOSLIK-LLVKDONJSA-N 0 0 409.230 4.342 20 30 HIEDRN CCC[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462028994 875143871 /nfs/dbraw/zinc/14/38/71/875143871.db2.gz AZQCGMGGAXZAFR-FDDCHVKYSA-N 0 0 418.541 4.186 20 30 HIEDRN Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000462035250 875150281 /nfs/dbraw/zinc/15/02/81/875150281.db2.gz HJQXLCOGXODQMH-UHFFFAOYSA-N 0 0 417.306 4.397 20 30 HIEDRN Cc1ccc(CN(Cc2ccco2)C(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000462084769 875193721 /nfs/dbraw/zinc/19/37/21/875193721.db2.gz NTZFDYDYLKTNNR-UHFFFAOYSA-N 0 0 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C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000462238504 875352948 /nfs/dbraw/zinc/35/29/48/875352948.db2.gz WOIPDJAJOIZZPQ-OXQOHEQNSA-N 0 0 413.518 4.232 20 30 HIEDRN CC(C)OC(=O)CCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000462238954 875352968 /nfs/dbraw/zinc/35/29/68/875352968.db2.gz CTYLHHPHGUVLSX-UHFFFAOYSA-N 0 0 413.449 4.130 20 30 HIEDRN CCN(CCC#N)C(=O)CN[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000468884005 882922773 /nfs/dbraw/zinc/92/27/73/882922773.db2.gz FXDSLAASITTWER-HXUWFJFHSA-N 0 0 418.310 4.029 20 30 HIEDRN COc1ccccc1[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000462248700 875368549 /nfs/dbraw/zinc/36/85/49/875368549.db2.gz RNXXSLOKIYSHSF-DEOSSOPVSA-N 0 0 419.912 4.216 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(COCCOC)cc2)cnn1-c1cccc(C#N)c1 ZINC000462333489 875449186 /nfs/dbraw/zinc/44/91/86/875449186.db2.gz HIRPQGJCYUGCRC-UHFFFAOYSA-N 0 0 418.497 4.112 20 30 HIEDRN C=Cc1ccc(CCNC(=O)CSc2nnc(-c3ccco3)n2CC(=C)C)cc1 ZINC000462386114 875498134 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HIEDRN C[C@H](C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc(C#N)c1 ZINC000462460474 875566934 /nfs/dbraw/zinc/56/69/34/875566934.db2.gz SAQSHSRMRCXUQV-ZDUSSCGKSA-N 0 0 414.387 4.133 20 30 HIEDRN C[C@H](C(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000462470772 875578104 /nfs/dbraw/zinc/57/81/04/875578104.db2.gz BKNLBVXFWCJWSB-IFXJQAMLSA-N 0 0 424.850 4.310 20 30 HIEDRN COc1ccccc1-c1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000462496596 875610254 /nfs/dbraw/zinc/61/02/54/875610254.db2.gz VUFAISBNMNSDMZ-KRWDZBQOSA-N 0 0 406.507 4.414 20 30 HIEDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)c1cccc(C#N)c1 ZINC000462498845 875612507 /nfs/dbraw/zinc/61/25/07/875612507.db2.gz CJTPEXITICHNAM-ORAYPTAESA-N 0 0 417.278 4.163 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000462509348 875626222 /nfs/dbraw/zinc/62/62/22/875626222.db2.gz DZIMXWDEBWYGAH-UHFFFAOYSA-N 0 0 405.317 4.006 20 30 HIEDRN C=CCN(CCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462518256 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C[C@H](CC#N)N(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000468937636 883003287 /nfs/dbraw/zinc/00/32/87/883003287.db2.gz KUHQMNUMHPEQJQ-CQSZACIVSA-N 0 0 402.292 4.414 20 30 HIEDRN CCN(C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000463136780 876184785 /nfs/dbraw/zinc/18/47/85/876184785.db2.gz GPDAVZPNESAYHM-LPHOPBHVSA-N 0 0 419.554 4.389 20 30 HIEDRN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468940845 883007039 /nfs/dbraw/zinc/00/70/39/883007039.db2.gz JUCZBCHIDYAMTM-IHPCNDPISA-N 0 0 421.497 4.328 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](c3nc(Cc4cc(C(F)(F)F)ccn4)no3)C2)c(F)c1 ZINC000463193363 876251423 /nfs/dbraw/zinc/25/14/23/876251423.db2.gz VQICHPCBVGARMZ-ZDUSSCGKSA-N 0 0 417.366 4.079 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000468952268 883018551 /nfs/dbraw/zinc/01/85/51/883018551.db2.gz IYAPYRSFKZAUPK-SJORKVTESA-N 0 0 414.575 4.241 20 30 HIEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CS[C@H](C)c1ccccc1OC ZINC000463215997 876274768 /nfs/dbraw/zinc/27/47/68/876274768.db2.gz ZMXKRGUEJAVTSV-QGZVFWFLSA-N 0 0 415.559 4.455 20 30 HIEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CS[C@@H](C)c1ccccc1OC ZINC000463215995 876274844 /nfs/dbraw/zinc/27/48/44/876274844.db2.gz ZMXKRGUEJAVTSV-KRWDZBQOSA-N 0 0 415.559 4.455 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)c(F)c2)c1 ZINC000463246131 876303605 /nfs/dbraw/zinc/30/36/05/876303605.db2.gz HHJIFMHYFJMYKX-ZVGUJKQYSA-N 0 0 404.482 4.130 20 30 HIEDRN C[S@@](=O)Cc1ccc(Cl)c(NCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000463270407 876327489 /nfs/dbraw/zinc/32/74/89/876327489.db2.gz YESRYCXRGFYPBG-MUUNZHRXSA-N 0 0 413.934 4.003 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4sccc43)C2)c1 ZINC000463294882 876354710 /nfs/dbraw/zinc/35/47/10/876354710.db2.gz GWWHUMFIGBDEFO-INIZCTEOSA-N 0 0 421.526 4.229 20 30 HIEDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000463345750 876400066 /nfs/dbraw/zinc/40/00/66/876400066.db2.gz XWRYDSQMNHAODO-OAHLLOKOSA-N 0 0 408.976 4.468 20 30 HIEDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000463392948 876448479 /nfs/dbraw/zinc/44/84/79/876448479.db2.gz OHZYFTQLPOFDMJ-LBPRGKRZSA-N 0 0 408.351 4.486 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463418975 876473509 /nfs/dbraw/zinc/47/35/09/876473509.db2.gz JGXJUTRBTVGOGZ-IBGZPJMESA-N 0 0 403.526 4.192 20 30 HIEDRN C=CCn1c(SCCCS(=O)(=O)c2cccc(C)c2)nnc1-c1cccs1 ZINC000463447528 876506132 /nfs/dbraw/zinc/50/61/32/876506132.db2.gz ZKFFCFNUUVZUPC-UHFFFAOYSA-N 0 0 419.597 4.457 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000463464591 876525015 /nfs/dbraw/zinc/52/50/15/876525015.db2.gz MXGPSYBHIYOIIR-UHFFFAOYSA-N 0 0 410.326 4.413 20 30 HIEDRN CC(=O)N1CCC(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000463485246 876544308 /nfs/dbraw/zinc/54/43/08/876544308.db2.gz XKUCNLKQUGZGKY-UHFFFAOYSA-N 0 0 405.498 4.114 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c2ccccc21 ZINC000468979222 883045689 /nfs/dbraw/zinc/04/56/89/883045689.db2.gz NDGFKCNHCMNHGN-UHFFFAOYSA-N 0 0 420.538 4.041 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1Cl ZINC000463489325 876548506 /nfs/dbraw/zinc/54/85/06/876548506.db2.gz ITHUEIWUMWTXIM-QAPCUYQASA-N 0 0 419.859 4.477 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)c1ccc(Br)s1 ZINC000463494352 876553197 /nfs/dbraw/zinc/55/31/97/876553197.db2.gz NVBXYOXLPUOLBW-LBPRGKRZSA-N 0 0 421.316 4.332 20 30 HIEDRN C=CCn1c(SCc2cc(F)ccc2C#N)nnc1[C@H]1COc2ccccc2O1 ZINC000468981505 883046543 /nfs/dbraw/zinc/04/65/43/883046543.db2.gz NLZGROVGNJATKG-LJQANCHMSA-N 0 0 408.458 4.280 20 30 HIEDRN C[C@@H](O)C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1 ZINC000468974029 883040440 /nfs/dbraw/zinc/04/04/40/883040440.db2.gz KWGPDWPPDRJCPG-YLJYHZDGSA-N 0 0 404.466 4.015 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000463502811 876563260 /nfs/dbraw/zinc/56/32/60/876563260.db2.gz VKRJBWVYENHZEK-SYYKKAFVSA-N 0 0 406.505 4.133 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1c(Cl)cccc1I ZINC000463502943 876563639 /nfs/dbraw/zinc/56/36/39/876563639.db2.gz SVSQBCVNUJBOFC-UHFFFAOYSA-N 0 0 410.642 4.088 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1c(Cl)cccc1Cl ZINC000468975988 883043038 /nfs/dbraw/zinc/04/30/38/883043038.db2.gz LJPCYWZNNNKOSQ-CXAGYDPISA-N 0 0 423.344 4.038 20 30 HIEDRN C=CCn1c(SCc2cc(-c3cnn(C)c3)no2)nnc1-c1ccc(Cl)cc1 ZINC000468978413 883045347 /nfs/dbraw/zinc/04/53/47/883045347.db2.gz NKUGRTHRDSJTIL-UHFFFAOYSA-N 0 0 412.906 4.465 20 30 HIEDRN C=CCN(C(=O)c1c(CC)nc2ccc(Cl)cn21)c1nc(C(=O)OCC)cs1 ZINC000463574527 876669360 /nfs/dbraw/zinc/66/93/60/876669360.db2.gz OCQQERAIWQHJDW-UHFFFAOYSA-N 0 0 418.906 4.016 20 30 HIEDRN C=CCN(C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc(C(=O)OCC)cs1 ZINC000463585905 876690253 /nfs/dbraw/zinc/69/02/53/876690253.db2.gz BFXKRCPNKGNUDP-RYUDHWBXSA-N 0 0 410.417 4.060 20 30 HIEDRN C[C@H]1CCCN(c2nnc(SCc3cc(F)ccc3C#N)n2Cc2ccco2)C1 ZINC000468988825 883055644 /nfs/dbraw/zinc/05/56/44/883055644.db2.gz PXUGSQKNHJHXIV-HNNXBMFYSA-N 0 0 411.506 4.459 20 30 HIEDRN CCC[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc2ccccn21 ZINC000468988922 883055668 /nfs/dbraw/zinc/05/56/68/883055668.db2.gz MZSVXHCFASWBDR-IBGZPJMESA-N 0 0 400.486 4.259 20 30 HIEDRN N#Cc1cc(N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000463650029 876770980 /nfs/dbraw/zinc/77/09/80/876770980.db2.gz OYJPASIYPKFFSL-HXUWFJFHSA-N 0 0 400.438 4.018 20 30 HIEDRN CN(CCc1cccc(Br)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000463667532 876789718 /nfs/dbraw/zinc/78/97/18/876789718.db2.gz SVZCKFSLOWWABU-UHFFFAOYSA-N 0 0 417.307 4.233 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000463692211 876811313 /nfs/dbraw/zinc/81/13/13/876811313.db2.gz WGICADRHZYPSRA-LJQANCHMSA-N 0 0 416.549 4.026 20 30 HIEDRN C[C@H](c1nccs1)N1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000463730181 876851693 /nfs/dbraw/zinc/85/16/93/876851693.db2.gz FBOAJERIDKCUHG-GFCCVEGCSA-N 0 0 401.898 4.239 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1C(F)(F)F ZINC000463736365 876857002 /nfs/dbraw/zinc/85/70/02/876857002.db2.gz JCJHVHWXXBOCSZ-ZDUSSCGKSA-N 0 0 406.383 4.364 20 30 HIEDRN C=CCN(C(=O)c1cccc(-c2cscn2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000463744127 876866265 /nfs/dbraw/zinc/86/62/65/876866265.db2.gz GOVRRCZYFVKLQH-INIZCTEOSA-N 0 0 416.510 4.175 20 30 HIEDRN C=CCN(C(=O)c1sc(C2CCCC2)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000463749256 876872708 /nfs/dbraw/zinc/87/27/08/876872708.db2.gz YDJSBGSOMFFPTG-MRXNPFEDSA-N 0 0 422.558 4.474 20 30 HIEDRN Cc1c(Br)cccc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000463751156 876873834 /nfs/dbraw/zinc/87/38/34/876873834.db2.gz OVVAKJZAMROIHI-HNNXBMFYSA-N 0 0 416.294 4.167 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000463754340 876877632 /nfs/dbraw/zinc/87/76/32/876877632.db2.gz GSUFCPMCQVIQAD-QZTJIDSGSA-N 0 0 410.514 4.122 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)C2)c(F)c1 ZINC000463758967 876881588 /nfs/dbraw/zinc/88/15/88/876881588.db2.gz DDQQQUCXUOLPPX-JYJNAYRXSA-N 0 0 417.406 4.003 20 30 HIEDRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 ZINC000463813918 876928114 /nfs/dbraw/zinc/92/81/14/876928114.db2.gz HQQHAZKTMPSHBB-UHFFFAOYSA-N 0 0 405.433 4.120 20 30 HIEDRN CN(CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1[N+](=O)[O-] ZINC000463873037 876994265 /nfs/dbraw/zinc/99/42/65/876994265.db2.gz AKYYCKCCAWMXNW-UHFFFAOYSA-N 0 0 402.410 4.334 20 30 HIEDRN C=Cc1ccc(CCNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000463882489 877003030 /nfs/dbraw/zinc/00/30/30/877003030.db2.gz YVIUTLMOJXXFGT-UHFFFAOYSA-N 0 0 411.461 4.291 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1Br ZINC000463888487 877010464 /nfs/dbraw/zinc/01/04/64/877010464.db2.gz NIPXQNJXCUXZRV-ZDUSSCGKSA-N 0 0 417.282 4.108 20 30 HIEDRN C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Oc1ccccc1F ZINC000463923521 877044237 /nfs/dbraw/zinc/04/42/37/877044237.db2.gz FKKDEGAXRPRTSZ-QGZVFWFLSA-N 0 0 404.441 4.474 20 30 HIEDRN C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Oc1ccccc1F ZINC000463946072 877066463 /nfs/dbraw/zinc/06/64/63/877066463.db2.gz QGMDBUREMKZJNW-QGZVFWFLSA-N 0 0 404.441 4.474 20 30 HIEDRN CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cs1 ZINC000463983173 877115242 /nfs/dbraw/zinc/11/52/42/877115242.db2.gz OERSHQSEFGNSCN-BEFAXECRSA-N 0 0 401.532 4.174 20 30 HIEDRN CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1 ZINC000464029403 877165164 /nfs/dbraw/zinc/16/51/64/877165164.db2.gz RMCYBHSAOBRBGR-AWEZNQCLSA-N 0 0 424.432 4.242 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nc([C@H](C)OCC)no1 ZINC000464032394 877169121 /nfs/dbraw/zinc/16/91/21/877169121.db2.gz DBXCKPPZAIITOS-LBPRGKRZSA-N 0 0 413.396 4.023 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 ZINC000464042460 877182046 /nfs/dbraw/zinc/18/20/46/877182046.db2.gz IXOXMKGGTHSBLQ-UHFFFAOYSA-N 0 0 421.432 4.076 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC000464047572 877189399 /nfs/dbraw/zinc/18/93/99/877189399.db2.gz QJKUNPWNRMRRBH-UHFFFAOYSA-N 0 0 421.432 4.076 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000464055535 877198845 /nfs/dbraw/zinc/19/88/45/877198845.db2.gz SRUZDJUIEJXCFS-UHFFFAOYSA-N 0 0 418.453 4.309 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000464091489 877245580 /nfs/dbraw/zinc/24/55/80/877245580.db2.gz ATFOHJXBABAKPF-UHFFFAOYSA-N 0 0 420.271 4.349 20 30 HIEDRN CNC(=O)c1cc(Oc2cc(NC(=O)[C@H](C)c3cccc(C#N)c3)ccc2C)ccn1 ZINC000464103628 877260221 /nfs/dbraw/zinc/26/02/21/877260221.db2.gz YFOUVDLWCCUVLG-MRXNPFEDSA-N 0 0 414.465 4.156 20 30 HIEDRN Cc1oc2ccccc2c1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000464151928 877321041 /nfs/dbraw/zinc/32/10/41/877321041.db2.gz RALSIWAFFMTXBQ-UHFFFAOYSA-N 0 0 403.482 4.408 20 30 HIEDRN N#Cc1cccc(N2CCN(C(=O)c3c(F)cccc3Sc3ccccc3)CC2)n1 ZINC000464164756 877330028 /nfs/dbraw/zinc/33/00/28/877330028.db2.gz BRZUHEAXMJEDLX-UHFFFAOYSA-N 0 0 418.497 4.206 20 30 HIEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)CCc1nnc(-c2cc(F)ccc2Br)o1 ZINC000464165616 877331580 /nfs/dbraw/zinc/33/15/80/877331580.db2.gz DASDREJIZXBEQA-GOSISDBHSA-N 0 0 423.286 4.015 20 30 HIEDRN COc1ccc(C(=O)N2CCC(C(=O)N[C@@](C)(C#N)C(C)(C)C)CC2)c2ccccc12 ZINC000464169234 877336247 /nfs/dbraw/zinc/33/62/47/877336247.db2.gz NVQYWZCUPIMRRN-VWLOTQADSA-N 0 0 421.541 4.145 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464181554 877352146 /nfs/dbraw/zinc/35/21/46/877352146.db2.gz NRLLEFFBBDQOHS-GFCCVEGCSA-N 0 0 419.706 4.326 20 30 HIEDRN C=CCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CC)c1ccc(C(F)(F)F)cc1 ZINC000464205201 877375256 /nfs/dbraw/zinc/37/52/56/877375256.db2.gz NDFLJPQREPDGMX-HOTGVXAUSA-N 0 0 400.466 4.140 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000464218205 877388843 /nfs/dbraw/zinc/38/88/43/877388843.db2.gz KQRQDPGEWLBDFO-SUMWQHHRSA-N 0 0 424.444 4.357 20 30 HIEDRN Cc1c(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)nnn1C ZINC000464282099 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ZINC000466694256 880484573 /nfs/dbraw/zinc/48/45/73/880484573.db2.gz YEWCIPQTUIUWIJ-JOCHJYFZSA-N 0 0 419.525 4.355 20 30 HIEDRN CC1(C)CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000466694257 880485243 /nfs/dbraw/zinc/48/52/43/880485243.db2.gz YEWCIPQTUIUWIJ-QFIPXVFZSA-N 0 0 419.525 4.355 20 30 HIEDRN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1 ZINC000466706602 880497703 /nfs/dbraw/zinc/49/77/03/880497703.db2.gz WSURPWRRPACYGC-FQEVSTJZSA-N 0 0 406.438 4.447 20 30 HIEDRN C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2ccc(F)cc2o1 ZINC000466724551 880511304 /nfs/dbraw/zinc/51/13/04/880511304.db2.gz IVRLMJNXKLLBQK-UHFFFAOYSA-N 0 0 401.511 4.065 20 30 HIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000466777739 880556900 /nfs/dbraw/zinc/55/69/00/880556900.db2.gz TZAUQQCWUZSSBJ-HNNXBMFYSA-N 0 0 417.487 4.245 20 30 HIEDRN CO[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000466801969 880580122 /nfs/dbraw/zinc/58/01/22/880580122.db2.gz 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SOFHEWNDYCESKH-KRWDZBQOSA-N 0 0 417.391 4.299 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC000467159244 880891868 /nfs/dbraw/zinc/89/18/68/880891868.db2.gz OUDFWUGMDHRPBF-NRFANRHFSA-N 0 0 410.437 4.380 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c1 ZINC000467204122 880934751 /nfs/dbraw/zinc/93/47/51/880934751.db2.gz AVYDLBNXCDFRJS-QFBILLFUSA-N 0 0 411.889 4.168 20 30 HIEDRN C=CCn1c(SCc2ccc3[nH]c(C)nc3c2)nnc1[C@H]1COc2ccccc2O1 ZINC000467209371 880939281 /nfs/dbraw/zinc/93/92/81/880939281.db2.gz WNZPKFJQNRXCQX-HXUWFJFHSA-N 0 0 419.510 4.454 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN3CCN(c4c(Cl)cccc4Cl)CC3)o2)c1 ZINC000467234926 880960689 /nfs/dbraw/zinc/96/06/89/880960689.db2.gz HASXZDARSLOFJG-UHFFFAOYSA-N 0 0 414.296 4.237 20 30 HIEDRN COc1ccccc1S(=O)(=O)CCCNc1ccccc1S[C@H](C)CC#N ZINC000467259258 880995384 /nfs/dbraw/zinc/99/53/84/880995384.db2.gz XATREIJNKYUQLV-MRXNPFEDSA-N 0 0 404.557 4.365 20 30 HIEDRN COC(=O)[C@H]1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000467291630 881038007 /nfs/dbraw/zinc/03/80/07/881038007.db2.gz OGHPGDAXDDXKCP-SFTDATJTSA-N 0 0 408.473 4.206 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000467292523 881038979 /nfs/dbraw/zinc/03/89/79/881038979.db2.gz CCUJZTLGYRMAPI-UHFFFAOYSA-N 0 0 422.481 4.156 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000467294720 881040573 /nfs/dbraw/zinc/04/05/73/881040573.db2.gz CNAVVXPIRBSRPO-UONOGXRCSA-N 0 0 412.299 4.082 20 30 HIEDRN C[C@H](Nc1ccc(C(=O)N(CCC#N)CC(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000467323593 881072774 /nfs/dbraw/zinc/07/27/74/881072774.db2.gz HOLJVJFJHSXTPP-ZDUSSCGKSA-N 0 0 421.379 4.081 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000503563560 912639688 /nfs/dbraw/zinc/63/96/88/912639688.db2.gz ULCJTBUSNPABCG-UHFFFAOYSA-N 0 0 411.278 4.335 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N2CC(OCc3cccc4ccccc43)C2)cc1 ZINC000467396288 881179782 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404.441 4.209 20 30 HIEDRN C[C@H](O)C[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000469091730 883178872 /nfs/dbraw/zinc/17/88/72/883178872.db2.gz VMOIJBZTKVMTSA-YADARESESA-N 0 0 414.505 4.422 20 30 HIEDRN CCOC(=O)c1ccc2c(c1)CCCN2C(=O)CCCCOc1cccc(C#N)c1 ZINC000469100508 883191409 /nfs/dbraw/zinc/19/14/09/883191409.db2.gz RNJGPZVDZOVBFC-UHFFFAOYSA-N 0 0 406.482 4.263 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)on2)c1 ZINC000469133235 883228712 /nfs/dbraw/zinc/22/87/12/883228712.db2.gz XJBNNXVVUQUYEC-GOSISDBHSA-N 0 0 403.438 4.413 20 30 HIEDRN CC(C)C[C@H]1CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000469133759 883229545 /nfs/dbraw/zinc/22/95/45/883229545.db2.gz VFFGOGPFYXJFNY-QGZVFWFLSA-N 0 0 410.518 4.307 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCCN(c4ccccc4F)C3=O)ccc21 ZINC000469156586 883254007 /nfs/dbraw/zinc/25/40/07/883254007.db2.gz ZENGNYWHEBITRP-HXUWFJFHSA-N 0 0 420.488 4.016 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(OC(C)(C)C)CC2)c1C#N ZINC000469165941 883264642 /nfs/dbraw/zinc/26/46/42/883264642.db2.gz ZJZZSTMONWDNIF-UHFFFAOYSA-N 0 0 400.567 4.310 20 30 HIEDRN COc1ccc(CCCNC(=O)c2cn(CCCC#N)c3ccccc23)cc1OC ZINC000469169599 883268175 /nfs/dbraw/zinc/26/81/75/883268175.db2.gz UDIVBLRNEAHIDK-UHFFFAOYSA-N 0 0 405.498 4.325 20 30 HIEDRN COc1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C(F)(F)F)c1 ZINC000469171358 883269764 /nfs/dbraw/zinc/26/97/64/883269764.db2.gz IHPGEMIQOLZBQZ-UHFFFAOYSA-N 0 0 401.344 4.171 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1scc(C)c1I ZINC000469178001 883275484 /nfs/dbraw/zinc/27/54/84/883275484.db2.gz AUSGHQMUMZMWHK-UHFFFAOYSA-N 0 0 422.291 4.361 20 30 HIEDRN Cn1ccc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccc(F)cc2)n1 ZINC000469179281 883278305 /nfs/dbraw/zinc/27/83/05/883278305.db2.gz GJXHNMUPHZJTNB-XMMPIXPASA-N 0 0 417.488 4.344 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000469193092 883292632 /nfs/dbraw/zinc/29/26/32/883292632.db2.gz HKMBQXZHHYPTPJ-QUCCMNQESA-N 0 0 409.555 4.310 20 30 HIEDRN COc1cccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c1OC1CCCC1 ZINC000469215021 883314622 /nfs/dbraw/zinc/31/46/22/883314622.db2.gz RQPMVQGRBRQBNB-UHFFFAOYSA-N 0 0 417.465 4.473 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCCc3csc(-c4ccccc4)n3)on2)c1 ZINC000469243353 883341717 /nfs/dbraw/zinc/34/17/17/883341717.db2.gz XOTRGTQVVQDEBS-UHFFFAOYSA-N 0 0 400.463 4.309 20 30 HIEDRN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000469261644 883358852 /nfs/dbraw/zinc/35/88/52/883358852.db2.gz NBDRWAUAGKMWCP-INIZCTEOSA-N 0 0 420.900 4.386 20 30 HIEDRN N#Cc1cnc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c(Cl)c1 ZINC000469270457 883368382 /nfs/dbraw/zinc/36/83/82/883368382.db2.gz XBZWXGQOPURWMO-HNNXBMFYSA-N 0 0 408.658 4.486 20 30 HIEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)NCc1ccccc1Cl ZINC000469278896 883377355 /nfs/dbraw/zinc/37/73/55/883377355.db2.gz SAMRJJAVCAZTRG-MRXNPFEDSA-N 0 0 424.932 4.040 20 30 HIEDRN C[C@H](Cc1ccccc1Br)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469317084 883421236 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N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)ccc21 ZINC000469952841 884153193 /nfs/dbraw/zinc/15/31/93/884153193.db2.gz LCUPCSGHKSBOQN-SJORKVTESA-N 0 0 409.436 4.290 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)ccc21 ZINC000469953093 884155161 /nfs/dbraw/zinc/15/51/61/884155161.db2.gz LQUQLPFKOFSSEE-HKUYNNGSSA-N 0 0 409.436 4.290 20 30 HIEDRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CO2 ZINC000469956776 884160032 /nfs/dbraw/zinc/16/00/32/884160032.db2.gz QBICMPUKJQFQAC-HXUWFJFHSA-N 0 0 403.482 4.001 20 30 HIEDRN C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)c1cccc(F)c1 ZINC000469969351 884178662 /nfs/dbraw/zinc/17/86/62/884178662.db2.gz MTXGGPOAUTWUIV-INIZCTEOSA-N 0 0 421.472 4.256 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)ccc21 ZINC000469972792 884184302 /nfs/dbraw/zinc/18/43/02/884184302.db2.gz KJLTWJWAHVCVCF-MSOLQXFVSA-N 0 0 409.436 4.290 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 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HIEDRN COC(=O)c1ccc(COc2ccc(/C=C/c3ccncc3C#N)cc2OC)cc1 ZINC000470280566 884644606 /nfs/dbraw/zinc/64/46/06/884644606.db2.gz PHUBZPFKMIKIEC-XVNBXDOJSA-N 0 0 400.434 4.498 20 30 HIEDRN C=CC[C@@H]1N(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCCC1(C)C ZINC000470287003 884656511 /nfs/dbraw/zinc/65/65/11/884656511.db2.gz OXJZTQDEGCCPTF-INIZCTEOSA-N 0 0 414.365 4.060 20 30 HIEDRN CC(C)[C@@H](C#N)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000470343945 884734382 /nfs/dbraw/zinc/73/43/82/884734382.db2.gz JGZCNWSMJLVEGD-QGZVFWFLSA-N 0 0 416.264 4.072 20 30 HIEDRN CSc1nccn1-c1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503907012 912859743 /nfs/dbraw/zinc/85/97/43/912859743.db2.gz DICLOJUTFSRIKW-UHFFFAOYSA-N 0 0 400.507 4.395 20 30 HIEDRN Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000470406179 884810177 /nfs/dbraw/zinc/81/01/77/884810177.db2.gz XXPSMPSPSFHWOQ-UHFFFAOYSA-N 0 0 401.257 4.076 20 30 HIEDRN Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000470434594 884833182 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Cc1cc(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)nn1CCC#N ZINC000474726743 889582298 /nfs/dbraw/zinc/58/22/98/889582298.db2.gz ILAMYTRVLWHZTH-HNNXBMFYSA-N 0 0 421.332 4.203 20 30 HIEDRN C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc2ncsc2c1 ZINC000474770198 889627663 /nfs/dbraw/zinc/62/76/63/889627663.db2.gz YVSFCLPYBINOIT-INIZCTEOSA-N 0 0 405.527 4.151 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3OC(F)F)n2)c(Cl)c1 ZINC000504613083 913367161 /nfs/dbraw/zinc/36/71/61/913367161.db2.gz PQCPBLJEOXADBJ-UKRRQHHQSA-N 0 0 409.824 4.069 20 30 HIEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCCC3(CC3)C2)c1 ZINC000474791424 889647033 /nfs/dbraw/zinc/64/70/33/889647033.db2.gz RLBYWGDHQAXFJL-UHFFFAOYSA-N 0 0 405.523 4.305 20 30 HIEDRN CCCOc1cc(OC)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000474809529 889661899 /nfs/dbraw/zinc/66/18/99/889661899.db2.gz OIDUGGHMMRIOSA-UHFFFAOYSA-N 0 0 421.497 4.319 20 30 HIEDRN Cc1csc(NC2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)n1 ZINC000474811123 889664252 /nfs/dbraw/zinc/66/42/52/889664252.db2.gz UQGJWCIGGTWPRY-UHFFFAOYSA-N 0 0 422.510 4.212 20 30 HIEDRN CC(C)c1cc(NC(=O)Nc2cccc(OCCCC#N)c2)n(-c2ncccn2)n1 ZINC000474824771 889679417 /nfs/dbraw/zinc/67/94/17/889679417.db2.gz IEFAQAISTFVSAO-UHFFFAOYSA-N 0 0 405.462 4.112 20 30 HIEDRN COc1c(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)oc2ccccc21 ZINC000474855218 889711617 /nfs/dbraw/zinc/71/16/17/889711617.db2.gz YLBRMYKGQAFJQR-UHFFFAOYSA-N 0 0 421.844 4.474 20 30 HIEDRN CCc1onc(-c2ccccc2)c1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000474895359 889753669 /nfs/dbraw/zinc/75/36/69/889753669.db2.gz HHLRXSAJQQMBDE-UHFFFAOYSA-N 0 0 400.482 4.128 20 30 HIEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(COC(C)(C)C)c2C)cc1 ZINC000474913630 889773712 /nfs/dbraw/zinc/77/37/12/889773712.db2.gz DWMYTZIDTCRZON-UHFFFAOYSA-N 0 0 416.543 4.027 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc(Br)c(F)cc1C ZINC000474977827 889832326 /nfs/dbraw/zinc/83/23/26/889832326.db2.gz XOOJVLWIQYBXFV-UHFFFAOYSA-N 0 0 422.254 4.438 20 30 HIEDRN N#Cc1cccc([C@H]2CN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CCO2)c1 ZINC000474979909 889833233 /nfs/dbraw/zinc/83/32/33/889833233.db2.gz WYARKBHBTALYBD-VQTJNVASSA-N 0 0 416.308 4.044 20 30 HIEDRN C=CCCO[C@H](C)C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474979121 889833405 /nfs/dbraw/zinc/83/34/05/889833405.db2.gz WDMMUPKREWKLGC-BEFAXECRSA-N 0 0 403.320 4.225 20 30 HIEDRN Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)O2 ZINC000475015314 889868166 /nfs/dbraw/zinc/86/81/66/889868166.db2.gz JCVIKEMZCJOONL-HSZRJFAPSA-N 0 0 411.461 4.451 20 30 HIEDRN N#Cc1c(NC(=O)c2cc(I)ccc2F)sc2c1CCC2 ZINC000475016415 889869728 /nfs/dbraw/zinc/86/97/28/889869728.db2.gz LTKKCUZGMMPACT-UHFFFAOYSA-N 0 0 412.227 4.104 20 30 HIEDRN Cc1ccc(-n2cnnn2)cc1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000475030962 889883828 /nfs/dbraw/zinc/88/38/28/889883828.db2.gz IGJSYGFDPTZBPD-UHFFFAOYSA-N 0 0 411.425 4.279 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)c3cc4cccc(F)c4o3)C2)n1 ZINC000475070725 889916474 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HIEDRN N#CC[C@H](CC(=O)NCCCN1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000475184730 890054082 /nfs/dbraw/zinc/05/40/82/890054082.db2.gz UMWAURHOBGMEJU-OAQYLSRUSA-N 0 0 424.976 4.056 20 30 HIEDRN CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1 ZINC000475187775 890057134 /nfs/dbraw/zinc/05/71/34/890057134.db2.gz SXCTZYSGNBAZKH-UHFFFAOYSA-N 0 0 417.296 4.146 20 30 HIEDRN COc1ccc(C)cc1C1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCOCC1 ZINC000475187101 890057487 /nfs/dbraw/zinc/05/74/87/890057487.db2.gz WMQCZNJSXSFKIA-OAQYLSRUSA-N 0 0 406.526 4.256 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2c(CC=C)cccc2C(C)C)cc1 ZINC000475187441 890057505 /nfs/dbraw/zinc/05/75/05/890057505.db2.gz YEJUAOCDYVGNRH-UHFFFAOYSA-N 0 0 420.513 4.423 20 30 HIEDRN CCOC(=O)COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000504677474 913416990 /nfs/dbraw/zinc/41/69/90/913416990.db2.gz PIKMJGDEPINLNH-UHFFFAOYSA-N 0 0 409.486 4.190 20 30 HIEDRN Cc1cc(-c2csc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)n2)c(C)o1 ZINC000475243594 890123664 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890375151 /nfs/dbraw/zinc/37/51/51/890375151.db2.gz JFONRRVKNFSYQT-NRFANRHFSA-N 0 0 416.506 4.120 20 30 HIEDRN Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475470613 890379257 /nfs/dbraw/zinc/37/92/57/890379257.db2.gz QKIJUPDXYPSOMU-AWEZNQCLSA-N 0 0 412.906 4.041 20 30 HIEDRN CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1)c1ccccc1 ZINC000475475413 890383436 /nfs/dbraw/zinc/38/34/36/890383436.db2.gz YOWNXFOWQNJHHV-QHCPKHFHSA-N 0 0 417.553 4.402 20 30 HIEDRN CCOC(=O)COc1c(Br)cc(C)cc1/C=C\c1ccncc1C#N ZINC000504713084 913447321 /nfs/dbraw/zinc/44/73/21/913447321.db2.gz UHBRXOXZPASICI-PLNGDYQASA-N 0 0 401.260 4.137 20 30 HIEDRN CCOC(=O)COc1c(Br)cc(C)cc1/C=C/c1ccncc1C#N ZINC000504713090 913447514 /nfs/dbraw/zinc/44/75/14/913447514.db2.gz UHBRXOXZPASICI-SNAWJCMRSA-N 0 0 401.260 4.137 20 30 HIEDRN Cc1csc(-c2ccc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)cc2)n1 ZINC000475506047 890421069 /nfs/dbraw/zinc/42/10/69/890421069.db2.gz FEMZVMCUPSRZRX-FQEVSTJZSA-N 0 0 416.506 4.120 20 30 HIEDRN C=CCCC1(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000475526169 890449439 /nfs/dbraw/zinc/44/94/39/890449439.db2.gz LJQIOOLHJQMKLJ-UHFFFAOYSA-N 0 0 405.336 4.373 20 30 HIEDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475539548 890463667 /nfs/dbraw/zinc/46/36/67/890463667.db2.gz XZZCUFOWOIKYIT-SFHVURJKSA-N 0 0 418.541 4.235 20 30 HIEDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475542868 890465660 /nfs/dbraw/zinc/46/56/60/890465660.db2.gz AIUKFEWSTRNSPH-UHFFFAOYSA-N 0 0 411.914 4.479 20 30 HIEDRN COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000475555002 890482287 /nfs/dbraw/zinc/48/22/87/890482287.db2.gz UKBXKDWUHGDWII-AWEZNQCLSA-N 0 0 404.919 4.210 20 30 HIEDRN N#CC1(CS(=O)(=O)N2CCC[C@@H]2c2cccc(Br)c2)CCCCC1 ZINC000475576993 890506504 /nfs/dbraw/zinc/50/65/04/890506504.db2.gz WGRIVEVZAKCPDS-QGZVFWFLSA-N 0 0 411.365 4.390 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000475579175 890508118 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423.516 4.458 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000504868075 913596183 /nfs/dbraw/zinc/59/61/83/913596183.db2.gz DHSYUJPRJAAOMQ-LLVKDONJSA-N 0 0 406.313 4.263 20 30 HIEDRN N#Cc1cc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)ccc1Oc1ccccc1 ZINC000476869974 891832752 /nfs/dbraw/zinc/83/27/52/891832752.db2.gz NAVFCAYPLQZQKI-UHFFFAOYSA-N 0 0 403.482 4.374 20 30 HIEDRN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000476882989 891841589 /nfs/dbraw/zinc/84/15/89/891841589.db2.gz KXHDBOLRKFZEEZ-WMLDXEAASA-N 0 0 402.420 4.216 20 30 HIEDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000476882980 891841754 /nfs/dbraw/zinc/84/17/54/891841754.db2.gz KXHDBOLRKFZEEZ-PBHICJAKSA-N 0 0 402.420 4.216 20 30 HIEDRN C=C(C)[C@H](NC(=O)NC1CCN(C(=O)C(CC)CC)CC1)c1ccc(F)c(F)c1 ZINC000476885678 891843616 /nfs/dbraw/zinc/84/36/16/891843616.db2.gz PLLDNEQGWRLCSW-FQEVSTJZSA-N 0 0 407.505 4.308 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(CNc3ccccc3)cc2)c1 ZINC000476924243 891871707 /nfs/dbraw/zinc/87/17/07/891871707.db2.gz OWDYQPLZPZFERY-DEOSSOPVSA-N 0 0 424.504 4.300 20 30 HIEDRN CN1C(=O)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H]1c1ccccc1 ZINC000476942260 891882052 /nfs/dbraw/zinc/88/20/52/891882052.db2.gz RVXBQGKWLUWHFP-XMMPIXPASA-N 0 0 411.461 4.158 20 30 HIEDRN CCn1c(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)nc2cccnc21 ZINC000476961754 891892253 /nfs/dbraw/zinc/89/22/53/891892253.db2.gz MIYJRODPCRCZKG-UHFFFAOYSA-N 0 0 413.485 4.098 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nc2sccc2c1=O ZINC000476966413 891895638 /nfs/dbraw/zinc/89/56/38/891895638.db2.gz YCBNVIFKSJSCMV-LBPRGKRZSA-N 0 0 416.524 4.025 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000477005999 891933777 /nfs/dbraw/zinc/93/37/77/891933777.db2.gz AMGIHGAVFQEVCG-QGZVFWFLSA-N 0 0 416.308 4.330 20 30 HIEDRN CCc1cnc(CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000477016685 891945132 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20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000477183871 892103758 /nfs/dbraw/zinc/10/37/58/892103758.db2.gz BAYHMEFIAYMQDK-RXVVDRJESA-N 0 0 400.544 4.164 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000477236740 892179712 /nfs/dbraw/zinc/17/97/12/892179712.db2.gz IWGOWTQVOFTLFU-HXUWFJFHSA-N 0 0 403.400 4.045 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cnn2c1nccc2-c1ccccc1 ZINC000477285798 892242460 /nfs/dbraw/zinc/24/24/60/892242460.db2.gz MDZBRRCQEXJXIO-UHFFFAOYSA-N 0 0 420.394 4.197 20 30 HIEDRN Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000477331839 892300552 /nfs/dbraw/zinc/30/05/52/892300552.db2.gz KDGIBLULTOVWOP-UHFFFAOYSA-N 0 0 414.387 4.457 20 30 HIEDRN COc1ccc(Cl)cc1CNC(=O)CSCCCOc1cccc(C#N)c1 ZINC000477351871 892317117 /nfs/dbraw/zinc/31/71/17/892317117.db2.gz PBWMJTCGTDOZQV-UHFFFAOYSA-N 0 0 404.919 4.039 20 30 HIEDRN Cc1nc2ccccc2n1C1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000477378863 892339437 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Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000477525394 892550418 /nfs/dbraw/zinc/55/04/18/892550418.db2.gz DPQTUDBHCOTRTC-NFBKMPQASA-N 0 0 407.514 4.461 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)CCc2cccs2)cc1 ZINC000477530983 892558818 /nfs/dbraw/zinc/55/88/18/892558818.db2.gz SWLDZSFYNRVNMV-UHFFFAOYSA-N 0 0 414.527 4.334 20 30 HIEDRN O=C(CSc1ccc(C(F)(F)F)cn1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477532427 892560954 /nfs/dbraw/zinc/56/09/54/892560954.db2.gz XSHXDUAAGXOYJE-UHFFFAOYSA-N 0 0 418.362 4.379 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000477531697 892561609 /nfs/dbraw/zinc/56/16/09/892561609.db2.gz NMMQQBCRNBKHOU-UHFFFAOYSA-N 0 0 420.469 4.488 20 30 HIEDRN COc1ccc(Cc2nnc(SCCCOc3cccc(C#N)c3)o2)cc1OC ZINC000477548867 892592270 /nfs/dbraw/zinc/59/22/70/892592270.db2.gz FYFJKNYJDQLGFH-UHFFFAOYSA-N 0 0 411.483 4.110 20 30 HIEDRN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)N1Cc2ccccc2C1 ZINC000477569297 892626814 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C=CCOc1ccc(CNC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1 ZINC000477625692 892737471 /nfs/dbraw/zinc/73/74/71/892737471.db2.gz XXWACYFHWKRFHN-UHFFFAOYSA-N 0 0 403.482 4.092 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(F)c(F)c1 ZINC000477632927 892752549 /nfs/dbraw/zinc/75/25/49/892752549.db2.gz GSJFYSOXWXZPNX-MRXNPFEDSA-N 0 0 416.321 4.495 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000477637036 892760446 /nfs/dbraw/zinc/76/04/46/892760446.db2.gz NIZFAOTVHYIVCM-MRXNPFEDSA-N 0 0 416.321 4.495 20 30 HIEDRN Cc1cccc(CC2(O)CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)c1 ZINC000477656480 892790167 /nfs/dbraw/zinc/79/01/67/892790167.db2.gz AHSJYPUEAJBTGL-UHFFFAOYSA-N 0 0 415.537 4.463 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000477659636 892797013 /nfs/dbraw/zinc/79/70/13/892797013.db2.gz IEJNPXCLAIQZHH-SFHVURJKSA-N 0 0 406.816 4.193 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OCC1CC1)c1ccc(F)c(F)c1 ZINC000477659864 892798311 /nfs/dbraw/zinc/79/83/11/892798311.db2.gz IUAZWPHBNNNSHA-HXUWFJFHSA-N 0 0 400.425 4.126 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OC(F)F)c1ccc(F)c(F)c1 ZINC000477659743 892799069 /nfs/dbraw/zinc/79/90/69/892799069.db2.gz IPLXAVSLCVLIKN-INIZCTEOSA-N 0 0 414.330 4.077 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1 ZINC000477661568 892800261 /nfs/dbraw/zinc/80/02/61/892800261.db2.gz LANSMMIMGVXXOR-INIZCTEOSA-N 0 0 414.330 4.236 20 30 HIEDRN COC(=O)c1cnc(Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000477728982 892829453 /nfs/dbraw/zinc/82/94/53/892829453.db2.gz BHYNZKZPIVIKSB-UHFFFAOYSA-N 0 0 422.372 4.110 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCC(CC(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000477737327 892834168 /nfs/dbraw/zinc/83/41/68/892834168.db2.gz DBDRTTIWTXHXNM-OAQYLSRUSA-N 0 0 405.489 4.016 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000477741485 892836918 /nfs/dbraw/zinc/83/69/18/892836918.db2.gz 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C[C@@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)N(C)CCC#N ZINC000481364972 896748109 /nfs/dbraw/zinc/74/81/09/896748109.db2.gz BNSKASKHWZUYFV-QGZVFWFLSA-N 0 0 411.575 4.227 20 30 HIEDRN C=C(C)Cn1c(S[C@H](C)C(=O)NCc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000481366029 896751484 /nfs/dbraw/zinc/75/14/84/896751484.db2.gz FEVCKFPNCAIETD-QGZVFWFLSA-N 0 0 407.543 4.022 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000481370062 896759826 /nfs/dbraw/zinc/75/98/26/896759826.db2.gz MYWCAZNXDKWWQF-QZTJIDSGSA-N 0 0 414.575 4.233 20 30 HIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000481374148 896766283 /nfs/dbraw/zinc/76/62/83/896766283.db2.gz PTNISMSVAANIKQ-OAHLLOKOSA-N 0 0 400.504 4.085 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H](CCC)c2ccccc2)nnc1-c1ccccn1 ZINC000481374675 896768078 /nfs/dbraw/zinc/76/80/78/896768078.db2.gz NFDJQRRXGIHLMO-GOSISDBHSA-N 0 0 407.543 4.276 20 30 HIEDRN Cc1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2-c2ccccc2)cc1 ZINC000481377987 896774284 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HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)CCO2)c1 ZINC000482060063 897489817 /nfs/dbraw/zinc/48/98/17/897489817.db2.gz HZPIFOCTHHPDPT-FQEVSTJZSA-N 0 0 407.861 4.003 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2c[nH]c3ncccc23)cc1 ZINC000505482604 914165349 /nfs/dbraw/zinc/16/53/49/914165349.db2.gz AKTGRHKIADVZAJ-UHFFFAOYSA-N 0 0 400.413 4.338 20 30 HIEDRN COC[C@@H]1CCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)C1 ZINC000482067851 897502734 /nfs/dbraw/zinc/50/27/34/897502734.db2.gz MZCQOGHQOOKEMO-MRXNPFEDSA-N 0 0 413.543 4.134 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@@](C)(CC)c2nccs2)nnc1-c1ccco1 ZINC000482081755 897521081 /nfs/dbraw/zinc/52/10/81/897521081.db2.gz ZZOGFXULDHAPCO-IBGZPJMESA-N 0 0 417.560 4.104 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(OC)c1OC ZINC000505488924 914171300 /nfs/dbraw/zinc/17/13/00/914171300.db2.gz YBXVJMQUTMWWGF-FKMSDIEJSA-N 0 0 412.530 4.390 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(F)c(F)c3)s2)cc1 ZINC000482151127 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C[C@H](N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1)C(F)(F)F ZINC000488505441 902861026 /nfs/dbraw/zinc/86/10/26/902861026.db2.gz ZBKLUDRXKRBLNK-HNNXBMFYSA-N 0 0 403.404 4.059 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000488556375 902882270 /nfs/dbraw/zinc/88/22/70/902882270.db2.gz IEAWEFWBMYMFAE-FCHUYYIVSA-N 0 0 412.484 4.202 20 30 HIEDRN CCN(C[C@H](C)C#N)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000488664687 902928092 /nfs/dbraw/zinc/92/80/92/902928092.db2.gz BGPJMGVXARJABF-QINHECLXSA-N 0 0 412.921 4.481 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)ccc1F ZINC000488676971 902939688 /nfs/dbraw/zinc/93/96/88/902939688.db2.gz YDYHGOASYYIGOP-SFHVURJKSA-N 0 0 406.891 4.480 20 30 HIEDRN Cc1cnn(-c2c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c(C)nn2C)c1 ZINC000488709542 902957903 /nfs/dbraw/zinc/95/79/03/902957903.db2.gz BYEOPIKNPRDMLD-UHFFFAOYSA-N 0 0 412.453 4.139 20 30 HIEDRN C=CC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 ZINC000488709716 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C=CCn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1cnccn1 ZINC000488923798 903078552 /nfs/dbraw/zinc/07/85/52/903078552.db2.gz WLMGDVCNXFNDGF-UHFFFAOYSA-N 0 0 406.540 4.261 20 30 HIEDRN C=CCn1c(S[C@@H](CC)C(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccccn1 ZINC000488927921 903081470 /nfs/dbraw/zinc/08/14/70/903081470.db2.gz FKWAAVGXUUEOCR-IBGZPJMESA-N 0 0 421.526 4.238 20 30 HIEDRN C=CCn1c(S[C@H](C)c2nc(-c3ccccc3C)no2)nnc1-c1cnccn1 ZINC000488937001 903085505 /nfs/dbraw/zinc/08/55/05/903085505.db2.gz TVVJTWROEJXMBW-CQSZACIVSA-N 0 0 405.487 4.133 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1F ZINC000488942130 903090087 /nfs/dbraw/zinc/09/00/87/903090087.db2.gz PKSBAKSGPJDTCA-UHFFFAOYSA-N 0 0 402.397 4.043 20 30 HIEDRN CC(C)n1ncc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1-c1ccccc1 ZINC000488995820 903109993 /nfs/dbraw/zinc/10/99/93/903109993.db2.gz JLBGHSZRPBYJSK-UHFFFAOYSA-N 0 0 417.488 4.104 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(c3ccc4cc(Br)c(F)cc4n3)C2)nc1 ZINC000488997036 903110428 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CC(C)(C#N)CCCn1cnc2c(cnn2Cc2ccc(Cl)cc2Cl)c1=O ZINC000489777599 903593729 /nfs/dbraw/zinc/59/37/29/903593729.db2.gz LKPYTJINNYIJAC-UHFFFAOYSA-N 0 0 404.301 4.278 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000489871773 903643844 /nfs/dbraw/zinc/64/38/44/903643844.db2.gz MXNIVQMCLVFSIM-UHFFFAOYSA-N 0 0 409.461 4.422 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000489876456 903646089 /nfs/dbraw/zinc/64/60/89/903646089.db2.gz CBTGOSFRUFICNC-UHFFFAOYSA-N 0 0 404.923 4.460 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000489883061 903651525 /nfs/dbraw/zinc/65/15/25/903651525.db2.gz IMLYDFQYQHIIBJ-UHFFFAOYSA-N 0 0 404.561 4.149 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000489978278 903708767 /nfs/dbraw/zinc/70/87/67/903708767.db2.gz MELJYELDTKMQEP-UHFFFAOYSA-N 0 0 409.482 4.034 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000490093881 903766866 /nfs/dbraw/zinc/76/68/66/903766866.db2.gz UETSRPJDQVHGKT-HSZRJFAPSA-N 0 0 415.541 4.274 20 30 HIEDRN CC1(C)CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@H]2CCC[C@H]21 ZINC000490095856 903768381 /nfs/dbraw/zinc/76/83/81/903768381.db2.gz QQKMSAUMMOHDJZ-YADHBBJMSA-N 0 0 417.509 4.113 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000490172135 903808945 /nfs/dbraw/zinc/80/89/45/903808945.db2.gz LEAMRLLIKUCOCI-UHFFFAOYSA-N 0 0 407.470 4.247 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000490196761 903822011 /nfs/dbraw/zinc/82/20/11/903822011.db2.gz LNSWSRGIXLTKPK-UHFFFAOYSA-N 0 0 410.543 4.216 20 30 HIEDRN Cc1csc(Sc2ccc(NC(=O)C(=O)NCC#Cc3ccccc3)c(C)c2)n1 ZINC000490203749 903826578 /nfs/dbraw/zinc/82/65/78/903826578.db2.gz PLUYRVZGQSQKQW-UHFFFAOYSA-N 0 0 421.547 4.018 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000490226610 903837952 /nfs/dbraw/zinc/83/79/52/903837952.db2.gz DHDYSSBKSOOJMD-MRXNPFEDSA-N 0 0 407.436 4.167 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000490262089 903860566 /nfs/dbraw/zinc/86/05/66/903860566.db2.gz SRHJIIVHINHHTR-UHFFFAOYSA-N 0 0 408.292 4.320 20 30 HIEDRN C=CC[C@H](C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1)c1ccccc1 ZINC000490270244 903866535 /nfs/dbraw/zinc/86/65/35/903866535.db2.gz JDUSLYKJRVLTRL-FQEVSTJZSA-N 0 0 401.466 4.398 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000490289110 903877501 /nfs/dbraw/zinc/87/75/01/903877501.db2.gz PKDKFWRFHBIVIP-RBBKRZOGSA-N 0 0 415.509 4.269 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000490296455 903884150 /nfs/dbraw/zinc/88/41/50/903884150.db2.gz CINQKOJAHRRUTJ-RHSMWYFYSA-N 0 0 412.490 4.004 20 30 HIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1OC(F)F ZINC000490385244 903975726 /nfs/dbraw/zinc/97/57/26/903975726.db2.gz JSGWGYFDQOQUMT-CQSZACIVSA-N 0 0 407.804 4.019 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000490388447 903976426 /nfs/dbraw/zinc/97/64/26/903976426.db2.gz WYNMZKMQUYIRMV-JZGRTCEGSA-N 0 0 412.452 4.158 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c(Cl)c1 ZINC000490484502 904036284 /nfs/dbraw/zinc/03/62/84/904036284.db2.gz KMDBUKZNBXGVJR-GOSISDBHSA-N 0 0 402.281 4.461 20 30 HIEDRN N#Cc1c(SCc2cc(=O)n3ccccc3n2)nc2c(c1-c1ccco1)CCC2 ZINC000506073674 914777477 /nfs/dbraw/zinc/77/74/77/914777477.db2.gz XOUFEGYKOKBIBL-UHFFFAOYSA-N 0 0 400.463 4.002 20 30 HIEDRN N#Cc1cc(NC(=O)Cc2csc(-c3cnccn3)n2)ccc1Oc1ccccc1 ZINC000490545373 904089598 /nfs/dbraw/zinc/08/95/98/904089598.db2.gz IDIPDHDQGQTJGG-UHFFFAOYSA-N 0 0 413.462 4.445 20 30 HIEDRN CC1(C)Cc2ccc(Br)cc2[C@H]1NS(=O)(=O)CC1(C#N)CCCC1 ZINC000490577248 904113349 /nfs/dbraw/zinc/11/33/49/904113349.db2.gz FWKFHFRCGALVDF-MRXNPFEDSA-N 0 0 411.365 4.076 20 30 HIEDRN CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000490619972 904140458 /nfs/dbraw/zinc/14/04/58/904140458.db2.gz LVZGTNCSUIJYFH-HKUYNNGSSA-N 0 0 409.555 4.404 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)NCCN3CCSCC3)cc2Cl)cc1 ZINC000490622652 904142662 /nfs/dbraw/zinc/14/26/62/904142662.db2.gz PRIUISQWPKPZBO-UHFFFAOYSA-N 0 0 416.934 4.174 20 30 HIEDRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NCCC#N)cc2)c1C ZINC000490668759 904164588 /nfs/dbraw/zinc/16/45/88/904164588.db2.gz CTGWUQPUMCWHBF-UHFFFAOYSA-N 0 0 413.543 4.045 20 30 HIEDRN CCn1c(NC(=O)[C@H](C)c2ccc(Br)s2)nc2cc(C#N)ccc21 ZINC000490744311 904203705 /nfs/dbraw/zinc/20/37/05/904203705.db2.gz JPRDCNWNKPNFMX-SNVBAGLBSA-N 0 0 403.305 4.494 20 30 HIEDRN CCn1c(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)nc2cc(C#N)ccc21 ZINC000490772126 904223705 /nfs/dbraw/zinc/22/37/05/904223705.db2.gz VFJFIWLHBWYCQB-UHFFFAOYSA-N 0 0 418.482 4.261 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)NCCNc2cccc(Br)c2)cc1 ZINC000490779983 904228736 /nfs/dbraw/zinc/22/87/36/904228736.db2.gz DAAOZPVYKWWMCV-UHFFFAOYSA-N 0 0 401.308 4.484 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)N[C@H](c3c[nH]c4ccccc43)C(F)(F)F)C2)cc1 ZINC000490812038 904258256 /nfs/dbraw/zinc/25/82/56/904258256.db2.gz KGEXERYUTFGUQE-LJQANCHMSA-N 0 0 414.387 4.116 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000490822799 904267430 /nfs/dbraw/zinc/26/74/30/904267430.db2.gz RPVRVRJWOXPZNA-UHFFFAOYSA-N 0 0 410.481 4.163 20 30 HIEDRN C[C@@H](Nc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506088669 914796501 /nfs/dbraw/zinc/79/65/01/914796501.db2.gz XFNQTIJQOSMMLO-JLTOFOAXSA-N 0 0 419.416 4.297 20 30 HIEDRN CCC(C)(C)OCc1cccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1C ZINC000490880193 904301628 /nfs/dbraw/zinc/30/16/28/904301628.db2.gz APGTTZUVBDYTPP-UHFFFAOYSA-N 0 0 407.514 4.169 20 30 HIEDRN COc1cc(OC)c(NC(=O)CSc2ccc(C#N)cc2)cc1Br ZINC000490923526 904319927 /nfs/dbraw/zinc/31/99/27/904319927.db2.gz FTPCIHWPIVPJNT-UHFFFAOYSA-N 0 0 407.289 4.069 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)NCC[C@@H](c3ccccc3)C(F)(F)F)C2)c(F)c1 ZINC000490934961 904325415 /nfs/dbraw/zinc/32/54/15/904325415.db2.gz MJVNBMOTPFDTTI-MSOLQXFVSA-N 0 0 419.422 4.376 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NCc3cc(-c4ccccc4)on3)CC2)c(F)c1 ZINC000490969341 904343907 /nfs/dbraw/zinc/34/39/07/904343907.db2.gz AMMYIPYORQBYCQ-UHFFFAOYSA-N 0 0 420.444 4.105 20 30 HIEDRN Cn1nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)cc1OC(F)F ZINC000491006970 904366240 /nfs/dbraw/zinc/36/62/40/904366240.db2.gz XMPAYISCUQXMIG-UHFFFAOYSA-N 0 0 400.410 4.297 20 30 HIEDRN N#Cc1ccc(CN2CCN(Cc3ccc(Br)c4cccnc34)CC2)cc1 ZINC000491079160 904416285 /nfs/dbraw/zinc/41/62/85/904416285.db2.gz RNWJPVJQKQJGQS-UHFFFAOYSA-N 0 0 421.342 4.187 20 30 HIEDRN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000491111169 904435033 /nfs/dbraw/zinc/43/50/33/904435033.db2.gz QINZUMDIQZPXMO-VHJOFQCFSA-N 0 0 403.526 4.286 20 30 HIEDRN C=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C1=O)c1ccccc1 ZINC000491132900 904446339 /nfs/dbraw/zinc/44/63/39/904446339.db2.gz GVEIYSHHOHSBOM-LJQANCHMSA-N 0 0 424.298 4.107 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)c(F)c1 ZINC000491146855 904456252 /nfs/dbraw/zinc/45/62/52/904456252.db2.gz PFTVVJLVJKEOPR-DHIUTWEWSA-N 0 0 423.488 4.170 20 30 HIEDRN O=C1CN(Cc2ccc(F)c(F)c2)C(=O)N1Cc1cc(F)c(C(F)(F)F)cc1F ZINC000491184392 904472327 /nfs/dbraw/zinc/47/23/27/904472327.db2.gz WSRYYYBVCNRRGI-UHFFFAOYSA-N 0 0 420.284 4.226 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000491218437 904487420 /nfs/dbraw/zinc/48/74/20/904487420.db2.gz QWNWNGXOKWCAJQ-UHFFFAOYSA-N 0 0 410.930 4.374 20 30 HIEDRN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(C#N)cc1 ZINC000506130664 914815850 /nfs/dbraw/zinc/81/58/50/914815850.db2.gz JQEAQIHSRAVPQP-LJQANCHMSA-N 0 0 420.563 4.491 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000491271958 904513746 /nfs/dbraw/zinc/51/37/46/904513746.db2.gz RXGPKVNSBYCUNV-GOSISDBHSA-N 0 0 420.513 4.420 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(C4CC4)cc3F)CC2)c(F)c1 ZINC000491294238 904522666 /nfs/dbraw/zinc/52/26/66/904522666.db2.gz IQDMOJWRSXJVCO-UHFFFAOYSA-N 0 0 411.452 4.467 20 30 HIEDRN N#Cc1ccc(NC(=O)CCN[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC000491422494 904588145 /nfs/dbraw/zinc/58/81/45/904588145.db2.gz IBIDCIFMKKSFBN-KRWDZBQOSA-N 0 0 413.346 4.381 20 30 HIEDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000491530072 904637667 /nfs/dbraw/zinc/63/76/67/904637667.db2.gz KDRMSSYOGNOMLP-IBGZPJMESA-N 0 0 413.905 4.452 20 30 HIEDRN CCOc1cc(CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(F)F ZINC000506164067 914830096 /nfs/dbraw/zinc/83/00/96/914830096.db2.gz VKZAFPBSUZSEHT-UHFFFAOYSA-N 0 0 423.847 4.282 20 30 HIEDRN Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491892759 904722346 /nfs/dbraw/zinc/72/23/46/904722346.db2.gz SCFFFXUVRDOAQD-OAQYLSRUSA-N 0 0 400.482 4.067 20 30 HIEDRN CCCCC[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000491929461 904733904 /nfs/dbraw/zinc/73/39/04/904733904.db2.gz HRVCYIWHQRWBSY-SFHVURJKSA-N 0 0 406.486 4.255 20 30 HIEDRN N#Cc1ccc(CNc2ccc3nccnc3c2Br)c(OC(F)F)c1 ZINC000506195725 914841266 /nfs/dbraw/zinc/84/12/66/914841266.db2.gz YDJGCWCCHQPIRH-UHFFFAOYSA-N 0 0 405.202 4.477 20 30 HIEDRN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000492062466 904781972 /nfs/dbraw/zinc/78/19/72/904781972.db2.gz NRKPQUHUWOEODV-FQEVSTJZSA-N 0 0 424.254 4.034 20 30 HIEDRN Cc1cc(I)cc(NCc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000506201286 914842999 /nfs/dbraw/zinc/84/29/99/914842999.db2.gz AXXSKNNPSADABS-UHFFFAOYSA-N 0 0 416.222 4.133 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000492221456 904817831 /nfs/dbraw/zinc/81/78/31/904817831.db2.gz CHCKJAZZZGSZOV-RUZDIDTESA-N 0 0 411.505 4.286 20 30 HIEDRN N#Cc1ccc(Br)c(CNc2cccc(Cl)c2N2CCOCC2)c1 ZINC000492332139 904835798 /nfs/dbraw/zinc/83/57/98/904835798.db2.gz GDOYTVMSCQRPDQ-UHFFFAOYSA-N 0 0 406.711 4.423 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000492337477 904836493 /nfs/dbraw/zinc/83/64/93/904836493.db2.gz 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C=CCSCCNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000512847510 921352278 /nfs/dbraw/zinc/35/22/78/921352278.db2.gz VTQCYVJKSNCZIV-UHFFFAOYSA-N 0 0 423.336 4.417 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498273542 907810053 /nfs/dbraw/zinc/81/00/53/907810053.db2.gz CUIRUAMPMRAGKH-UXHICEINSA-N 0 0 405.901 4.258 20 30 HIEDRN N#CCC[C@@H](NC(=O)NCCNc1cccc(Br)c1)c1ccccc1 ZINC000498286775 907819902 /nfs/dbraw/zinc/81/99/02/907819902.db2.gz SUTVZPGEWMHGFB-GOSISDBHSA-N 0 0 401.308 4.205 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000498321376 907838626 /nfs/dbraw/zinc/83/86/26/907838626.db2.gz ZNQWAUIVWJDDNP-UHFFFAOYSA-N 0 0 416.525 4.242 20 30 HIEDRN COc1ccc2c(c1)CCCCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000498349623 907852090 /nfs/dbraw/zinc/85/20/90/907852090.db2.gz GVPOTTNZLFYFDN-UHFFFAOYSA-N 0 0 410.417 4.117 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1C ZINC000498355317 907854683 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HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2(c3nccs3)CCCC2)n1 ZINC000543890751 940228660 /nfs/dbraw/zinc/22/86/60/940228660.db2.gz GUBOAXIAQRPLFQ-UHFFFAOYSA-N 0 0 412.906 4.445 20 30 HIEDRN CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543890934 940228753 /nfs/dbraw/zinc/22/87/53/940228753.db2.gz SEWKPVDOIRCPCL-UHFFFAOYSA-N 0 0 423.904 4.202 20 30 HIEDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 ZINC000543891297 940228874 /nfs/dbraw/zinc/22/88/74/940228874.db2.gz CUVKHIOMWVAGRI-RDJZCZTQSA-N 0 0 401.898 4.113 20 30 HIEDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 ZINC000543891294 940229141 /nfs/dbraw/zinc/22/91/41/940229141.db2.gz CUVKHIOMWVAGRI-DOTOQJQBSA-N 0 0 401.898 4.113 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2csc(-c3ccco3)n2)n1 ZINC000543890753 940229163 /nfs/dbraw/zinc/22/91/63/940229163.db2.gz GXMQKJOJQFNTAJ-UHFFFAOYSA-N 0 0 424.873 4.436 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)c(Cl)c1 ZINC000543895762 940231388 /nfs/dbraw/zinc/23/13/88/940231388.db2.gz IPWVEHCQEIZAHX-UHFFFAOYSA-N 0 0 422.832 4.132 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)Cc3ccccc3OC(F)F)n2)c(Cl)c1 ZINC000543898642 940232184 /nfs/dbraw/zinc/23/21/84/940232184.db2.gz MPQHPVKGOZNUSC-UHFFFAOYSA-N 0 0 402.788 4.180 20 30 HIEDRN C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543902464 940233319 /nfs/dbraw/zinc/23/33/19/940233319.db2.gz BIWXLDKMZGBYTE-YWZLYKJASA-N 0 0 416.447 4.222 20 30 HIEDRN CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543917926 940245744 /nfs/dbraw/zinc/24/57/44/940245744.db2.gz QXTYCMWVQDSDOY-KKSFZXQISA-N 0 0 407.539 4.104 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1F ZINC000543924499 940248651 /nfs/dbraw/zinc/24/86/51/940248651.db2.gz REIHXFKXGKBNQF-MRXNPFEDSA-N 0 0 401.441 4.489 20 30 HIEDRN C[C@H](NC(=O)NCCCc1nnc2ccccn21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543933973 940253013 /nfs/dbraw/zinc/25/30/13/940253013.db2.gz AZLQPSJFUGUYNO-SFHVURJKSA-N 0 0 424.508 4.261 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943049 940257807 /nfs/dbraw/zinc/25/78/07/940257807.db2.gz AVQPXVWEDKHWCW-KPOBHBOGSA-N 0 0 417.431 4.383 20 30 HIEDRN CSc1nccn1-c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000543958453 940270266 /nfs/dbraw/zinc/27/02/66/940270266.db2.gz JKCCMOQJRAWEHC-UHFFFAOYSA-N 0 0 418.457 4.043 20 30 HIEDRN COc1ccc(COC[C@@H](O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 ZINC000544024767 940303229 /nfs/dbraw/zinc/30/32/29/940303229.db2.gz NIXGMSFVZSGJCT-HXUWFJFHSA-N 0 0 406.507 4.299 20 30 HIEDRN CC(=O)Nc1ccc(-c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)cc1 ZINC000544054442 940312234 /nfs/dbraw/zinc/31/22/34/940312234.db2.gz URFCRVUZCSPCDI-UHFFFAOYSA-N 0 0 400.394 4.406 20 30 HIEDRN CC(C)N1CCc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C1 ZINC000544058838 940313372 /nfs/dbraw/zinc/31/33/72/940313372.db2.gz KACGSXYEQBOFAW-UHFFFAOYSA-N 0 0 422.510 4.206 20 30 HIEDRN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 ZINC000544061632 940314541 /nfs/dbraw/zinc/31/45/41/940314541.db2.gz LYPMLLNTKXHZEX-GFCCVEGCSA-N 0 0 401.257 4.147 20 30 HIEDRN COc1ccc(-n2ccnc2S[C@H]2CCN(c3sccc3C#N)C2=O)c(C)c1 ZINC000544076614 940319066 /nfs/dbraw/zinc/31/90/66/940319066.db2.gz XRTRULOGSWGYSG-KRWDZBQOSA-N 0 0 410.524 4.020 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000544152362 940338786 /nfs/dbraw/zinc/33/87/86/940338786.db2.gz LMWFQMHSNHVPJD-HOTGVXAUSA-N 0 0 404.388 4.344 20 30 HIEDRN CCOCc1ccccc1-c1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000544158888 940339858 /nfs/dbraw/zinc/33/98/58/940339858.db2.gz WRROCXASFVWZGO-UHFFFAOYSA-N 0 0 411.483 4.018 20 30 HIEDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000544167478 940342029 /nfs/dbraw/zinc/34/20/29/940342029.db2.gz YXJYHWZDAREYSQ-UHFFFAOYSA-N 0 0 423.520 4.495 20 30 HIEDRN CS[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)(C)C ZINC000544184338 940346807 /nfs/dbraw/zinc/34/68/07/940346807.db2.gz UXVJHLSEGDZXCN-IBGZPJMESA-N 0 0 411.527 4.183 20 30 HIEDRN Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[N@H+](C)Cc4ccccc4)c3)nc1-2 ZINC000544204844 940353149 /nfs/dbraw/zinc/35/31/49/940353149.db2.gz ULLNQLHSHXSLFQ-OAQYLSRUSA-N 0 0 409.493 4.388 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544228033 940360655 /nfs/dbraw/zinc/36/06/55/940360655.db2.gz TVTVQWWSKJQSRZ-GOSISDBHSA-N 0 0 407.518 4.209 20 30 HIEDRN N#Cc1cccc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 ZINC000563863857 945317381 /nfs/dbraw/zinc/31/73/81/945317381.db2.gz BKSIDRSNDUMMJX-UHFFFAOYSA-N 0 0 424.479 4.451 20 30 HIEDRN N#Cc1ccc(CN(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 ZINC000544245855 940366514 /nfs/dbraw/zinc/36/65/14/940366514.db2.gz RMIBASNLSWNKMH-UHFFFAOYSA-N 0 0 414.465 4.278 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)C2CC2)cc1 ZINC000544247701 940367121 /nfs/dbraw/zinc/36/71/21/940367121.db2.gz SZQJLZQSXNGHKC-HXUWFJFHSA-N 0 0 409.461 4.452 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000544251430 940368546 /nfs/dbraw/zinc/36/85/46/940368546.db2.gz VEPQJRQOWUAZIX-UHFFFAOYSA-N 0 0 421.482 4.169 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C2CC2)cc1 ZINC000544259741 940370905 /nfs/dbraw/zinc/37/09/05/940370905.db2.gz PHXRBWZKRDUUFV-UHFFFAOYSA-N 0 0 416.872 4.466 20 30 HIEDRN Cc1cc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)ccc1F ZINC000544285047 940379749 /nfs/dbraw/zinc/37/97/49/940379749.db2.gz LKECNHWUEZEVFL-OAHLLOKOSA-N 0 0 419.460 4.491 20 30 HIEDRN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000544300907 940384107 /nfs/dbraw/zinc/38/41/07/940384107.db2.gz OOYKVRCKMWUJNL-CTNGQTDRSA-N 0 0 415.501 4.225 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(-c3ccc(Br)cc3F)n2)c1 ZINC000544340693 940394452 /nfs/dbraw/zinc/39/44/52/940394452.db2.gz CYGLVZWSVQLBLC-UHFFFAOYSA-N 0 0 402.223 4.221 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000544348860 940396995 /nfs/dbraw/zinc/39/69/95/940396995.db2.gz ROIPYOQEDNKQKV-AWEZNQCLSA-N 0 0 421.419 4.431 20 30 HIEDRN CC(C)(C)n1cc(C#N)c(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n1 ZINC000544352930 940397929 /nfs/dbraw/zinc/39/79/29/940397929.db2.gz FOZUOAHUYXMZMA-OXJNMPFZSA-N 0 0 413.319 4.115 20 30 HIEDRN CC(=O)c1ccc(C#N)c(N(C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000544393588 940410407 /nfs/dbraw/zinc/41/04/07/940410407.db2.gz ZULMTYGIXGDWOW-UHFFFAOYSA-N 0 0 419.506 4.198 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC000544412716 940416558 /nfs/dbraw/zinc/41/65/58/940416558.db2.gz MVZPSAHBKVLEOQ-UHFFFAOYSA-N 0 0 404.470 4.005 20 30 HIEDRN Cc1cnc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)s1 ZINC000544425425 940423959 /nfs/dbraw/zinc/42/39/59/940423959.db2.gz SQUCXHWEVCDRFU-SFHVURJKSA-N 0 0 400.573 4.333 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2ccc3c(c2)COC3)cc1 ZINC000544431499 940427745 /nfs/dbraw/zinc/42/77/45/940427745.db2.gz BQFJSTFPGOGJQJ-UHFFFAOYSA-N 0 0 400.453 4.499 20 30 HIEDRN Cc1cc(C)c(C(=O)CCCC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000563900549 945320065 /nfs/dbraw/zinc/32/00/65/945320065.db2.gz YLLRKGMTHAVTMH-UHFFFAOYSA-N 0 0 403.526 4.444 20 30 HIEDRN CC(C)Oc1cccc(-c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)c1 ZINC000544447398 940434338 /nfs/dbraw/zinc/43/43/38/940434338.db2.gz ZRVICTGBTBHLND-UHFFFAOYSA-N 0 0 404.470 4.403 20 30 HIEDRN Cc1cc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(C)C)c(C)o1 ZINC000563902258 945320944 /nfs/dbraw/zinc/32/09/44/945320944.db2.gz YPPQMFRLAFYUCC-UHFFFAOYSA-N 0 0 404.518 4.009 20 30 HIEDRN CCCCSc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000544465180 940442929 /nfs/dbraw/zinc/44/29/29/940442929.db2.gz UKNNTZVGCCWAAL-UHFFFAOYSA-N 0 0 414.962 4.461 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000544516640 940468637 /nfs/dbraw/zinc/46/86/37/940468637.db2.gz HEDKPRXWZQGMER-GJZGRUSLSA-N 0 0 414.506 4.191 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](c3nc(Cc4ccc(F)cc4Cl)no3)C2)c(F)c1 ZINC000563916440 945324459 /nfs/dbraw/zinc/32/44/59/945324459.db2.gz AGSDGPIZAWCGGT-CQSZACIVSA-N 0 0 400.816 4.458 20 30 HIEDRN COc1ccccc1-c1noc([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000544518966 940469739 /nfs/dbraw/zinc/46/97/39/940469739.db2.gz QQMOJSYFNMZKSS-CQSZACIVSA-N 0 0 401.388 4.466 20 30 HIEDRN N#C[C@H](NC(=O)CSc1nc(-c2ccccc2)no1)c1cccc(C(F)(F)F)c1 ZINC000544563594 940479886 /nfs/dbraw/zinc/47/98/86/940479886.db2.gz YAOMDTAOTZZUGF-HNNXBMFYSA-N 0 0 418.400 4.229 20 30 HIEDRN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000544598133 940487571 /nfs/dbraw/zinc/48/75/71/940487571.db2.gz BTCFFVMHEZXPSX-JTQLQIEISA-N 0 0 407.351 4.247 20 30 HIEDRN CCCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000544603515 940488787 /nfs/dbraw/zinc/48/87/87/940488787.db2.gz YVIHGCQNJNWOIL-UHFFFAOYSA-N 0 0 424.545 4.275 20 30 HIEDRN N#Cc1cccc(CNC(=O)CNc2ccc(Br)c(Cl)c2Cl)c1 ZINC000544641397 940496785 /nfs/dbraw/zinc/49/67/85/940496785.db2.gz XSJZJEDIHAEXLN-UHFFFAOYSA-N 0 0 413.102 4.356 20 30 HIEDRN Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(F)(F)F ZINC000544641274 940496788 /nfs/dbraw/zinc/49/67/88/940496788.db2.gz FHIYVRBULMUGPJ-LMMKCTJWSA-N 0 0 419.451 4.122 20 30 HIEDRN C[C@H](NC(=O)NCc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544647266 940497820 /nfs/dbraw/zinc/49/78/20/940497820.db2.gz AIHKMSBGWXSDEQ-KRWDZBQOSA-N 0 0 424.504 4.072 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)c1ncc(Br)cc1Br ZINC000544678587 940501775 /nfs/dbraw/zinc/50/17/75/940501775.db2.gz CQQOBLVFVVZGCY-UHFFFAOYSA-N 0 0 416.138 4.497 20 30 HIEDRN COc1ccc(OC)c(-c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)c1 ZINC000544919897 940525426 /nfs/dbraw/zinc/52/54/26/940525426.db2.gz NMTSJERKHOBTED-UHFFFAOYSA-N 0 0 403.394 4.464 20 30 HIEDRN CC(=O)Nc1ccccc1-c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 ZINC000544922296 940525557 /nfs/dbraw/zinc/52/55/57/940525557.db2.gz SJDRUNFDBKLGBO-UHFFFAOYSA-N 0 0 400.394 4.406 20 30 HIEDRN N#CCCN(C(=O)CCc1nc(Cc2ccc(F)cc2Cl)no1)c1ccccc1 ZINC000544955322 940528045 /nfs/dbraw/zinc/52/80/45/940528045.db2.gz NINHMAYNPGXSBQ-UHFFFAOYSA-N 0 0 412.852 4.332 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)c1 ZINC000544956959 940528327 /nfs/dbraw/zinc/52/83/27/940528327.db2.gz WIQASSGKMFLFDR-UHFFFAOYSA-N 0 0 408.417 4.349 20 30 HIEDRN CN(C(=O)c1ccncc1)c1ccc(-c2noc(CCc3ccc(C#N)cc3)n2)cc1 ZINC000544969280 940529596 /nfs/dbraw/zinc/52/95/96/940529596.db2.gz JFXXSDFRWGKBNS-UHFFFAOYSA-N 0 0 409.449 4.065 20 30 HIEDRN Cc1cc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)nn1-c1cccc(C#N)c1 ZINC000544990490 940531334 /nfs/dbraw/zinc/53/13/34/940531334.db2.gz ZYPGVLDKQAOJBP-UHFFFAOYSA-N 0 0 410.437 4.118 20 30 HIEDRN Cc1cc(C)nc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c1 ZINC000545025913 940534754 /nfs/dbraw/zinc/53/47/54/940534754.db2.gz FVWJZEGKYMOGFO-UHFFFAOYSA-N 0 0 416.441 4.252 20 30 HIEDRN N#Cc1cccc(OCCCCc2nc(-c3cccc(OCC(F)F)n3)no2)c1 ZINC000545139952 940548598 /nfs/dbraw/zinc/54/85/98/940548598.db2.gz VDRDIBUKXBQTFL-UHFFFAOYSA-N 0 0 400.385 4.049 20 30 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CCOCCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(C#N)CC1 ZINC000555333306 942480881 /nfs/dbraw/zinc/48/08/81/942480881.db2.gz JUWCDGCGLFTZRA-MRXNPFEDSA-N 0 0 413.591 4.298 20 30 HIEDRN CC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(=O)OC(C)(C)C ZINC000555366689 942498294 /nfs/dbraw/zinc/49/82/94/942498294.db2.gz IEPMPYNJCLKIBS-LJQANCHMSA-N 0 0 422.485 4.052 20 30 HIEDRN C=CC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCCO2)CC1 ZINC000555390519 942509601 /nfs/dbraw/zinc/50/96/01/942509601.db2.gz ZOFQEJNMPPTACA-QGZVFWFLSA-N 0 0 402.926 4.189 20 30 HIEDRN CCc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)cc1 ZINC000555390812 942510341 /nfs/dbraw/zinc/51/03/41/942510341.db2.gz AXDPDJBHRAKHMK-JOCHJYFZSA-N 0 0 401.514 4.195 20 30 HIEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CS[C@@H]2CCO[C@@H]2C)c1C#N ZINC000555422166 942525269 /nfs/dbraw/zinc/52/52/69/942525269.db2.gz MBIHSRIEOYXBOD-DNVCBOLYSA-N 0 0 401.507 4.013 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC000555421710 942525327 /nfs/dbraw/zinc/52/53/27/942525327.db2.gz HNPQBSSGSFDOCB-UHFFFAOYSA-N 0 0 414.440 4.246 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC[C@H](C4CCOCC4)C3)n2Cc2cccs2)cc1 ZINC000555436995 942536199 /nfs/dbraw/zinc/53/61/99/942536199.db2.gz OTOVUUAMMFNIIL-FQEVSTJZSA-N 0 0 419.554 4.179 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000555437035 942537023 /nfs/dbraw/zinc/53/70/23/942537023.db2.gz SDJRXHQBUCBKAG-UHFFFAOYSA-N 0 0 410.506 4.435 20 30 HIEDRN CC(C)COC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 ZINC000555451776 942555303 /nfs/dbraw/zinc/55/53/03/942555303.db2.gz SGKYGGWJVXHWDN-JOCHJYFZSA-N 0 0 423.561 4.027 20 30 HIEDRN CC1(C#N)CCN(c2nnc(-c3cccc4cccnc43)n2C[C@H]2CCCCO2)CC1 ZINC000555482264 942585748 /nfs/dbraw/zinc/58/57/48/942585748.db2.gz XBHZSVFAYGLBFE-LJQANCHMSA-N 0 0 416.529 4.192 20 30 HIEDRN CC[C@H](C)c1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000555492173 942594968 /nfs/dbraw/zinc/59/49/68/942594968.db2.gz DYQUXVLHRTVMPQ-AVRDEDQJSA-N 0 0 423.561 4.280 20 30 HIEDRN CN(CCc1ccc(F)cc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000555502156 942604719 /nfs/dbraw/zinc/60/47/19/942604719.db2.gz OBXIJOKUHZAYFL-QFIPXVFZSA-N 0 0 419.504 4.204 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1 ZINC000555514692 942617583 /nfs/dbraw/zinc/61/75/83/942617583.db2.gz SJJLGXIMKNLZRR-LJQANCHMSA-N 0 0 413.481 4.236 20 30 HIEDRN COc1cccc(OC)c1OC[C@@H](O)COc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000555581776 942653546 /nfs/dbraw/zinc/65/35/46/942653546.db2.gz LDIQWKMRZOXVIO-SFHVURJKSA-N 0 0 421.449 4.186 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1cscc1Br)c1cccc(Br)c1 ZINC000555658989 942690327 /nfs/dbraw/zinc/69/03/27/942690327.db2.gz SZVXAGVDINDUKW-CYBMUJFWSA-N 0 0 414.122 4.197 20 30 HIEDRN N#C[C@H](NC(=O)Cc1cscc1Br)c1cccc(Br)c1 ZINC000555658990 942690429 /nfs/dbraw/zinc/69/04/29/942690429.db2.gz SZVXAGVDINDUKW-ZDUSSCGKSA-N 0 0 414.122 4.197 20 30 HIEDRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555712844 942710088 /nfs/dbraw/zinc/71/00/88/942710088.db2.gz FXOSRPNHJSEINB-QGZVFWFLSA-N 0 0 413.403 4.319 20 30 HIEDRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000555731021 942716546 /nfs/dbraw/zinc/71/65/46/942716546.db2.gz KKAOKLOLAPRLKE-ZDUSSCGKSA-N 0 0 422.838 4.190 20 30 HIEDRN CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)N2CCC(C#N)CC2)c2cccs2)cc1 ZINC000555776240 942728867 /nfs/dbraw/zinc/72/88/67/942728867.db2.gz HXBUEBNARVWYFW-KKSFZXQISA-N 0 0 409.555 4.229 20 30 HIEDRN COc1cc(C(=O)Nc2cccc(OCCCC#N)c2)cc(Br)c1OC ZINC000555787326 942733208 /nfs/dbraw/zinc/73/32/08/942733208.db2.gz SAJYUHJXJAAANM-UHFFFAOYSA-N 0 0 419.275 4.401 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)N[C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000555904767 942769919 /nfs/dbraw/zinc/76/99/19/942769919.db2.gz NMRRSZPHFOIJQQ-MEDUHNTESA-N 0 0 402.317 4.237 20 30 HIEDRN CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)s1 ZINC000555958607 942779396 /nfs/dbraw/zinc/77/93/96/942779396.db2.gz KEYMJZWOARPUGI-LBPRGKRZSA-N 0 0 418.588 4.403 20 30 HIEDRN C=C(C)COc1cccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000555974090 942782009 /nfs/dbraw/zinc/78/20/09/942782009.db2.gz JRPQYNNMJHXVBP-UHFFFAOYSA-N 0 0 402.516 4.427 20 30 HIEDRN CC(C)Cn1ncc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c1C(C)C ZINC000556029947 942789917 /nfs/dbraw/zinc/78/99/17/942789917.db2.gz OULBCJAMWPALIA-UHFFFAOYSA-N 0 0 415.563 4.470 20 30 HIEDRN Cc1cccc(Oc2ccccc2CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000556039905 942793404 /nfs/dbraw/zinc/79/34/04/942793404.db2.gz ZZABVMHEMFTKKX-SFHVURJKSA-N 0 0 413.477 4.153 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)sc1Br ZINC000556049151 942795718 /nfs/dbraw/zinc/79/57/18/942795718.db2.gz RWQMPCUUKMISLP-KGLIPLIRSA-N 0 0 405.317 4.431 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc1Cl ZINC000556060992 942799226 /nfs/dbraw/zinc/79/92/26/942799226.db2.gz PFFRVOLZMQIADT-ZDUSSCGKSA-N 0 0 413.301 4.400 20 30 HIEDRN CCCc1c(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cnn1-c1cccc(C)c1 ZINC000556072420 942801549 /nfs/dbraw/zinc/80/15/49/942801549.db2.gz AWBABGLKVPLOON-UHFFFAOYSA-N 0 0 421.888 4.236 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)NCCc1ccc(C)o1)c1ccc(C(F)(F)F)cc1 ZINC000556155084 942811926 /nfs/dbraw/zinc/81/19/26/942811926.db2.gz HVGCKANGKFMWNY-GOSISDBHSA-N 0 0 408.420 4.089 20 30 HIEDRN N#CCc1ccc(-c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)cc1 ZINC000556332287 942843503 /nfs/dbraw/zinc/84/35/03/942843503.db2.gz RQNZXPLKRVNWBC-UHFFFAOYSA-N 0 0 407.231 4.017 20 30 HIEDRN COc1cc([C@H](C)NC(=O)c2ccc(F)c(C#N)c2)ccc1OCc1ccncc1 ZINC000556377263 942851812 /nfs/dbraw/zinc/85/18/12/942851812.db2.gz VZSWSACTDIACSZ-HNNXBMFYSA-N 0 0 405.429 4.171 20 30 HIEDRN N#Cc1cc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)ccc1F ZINC000556445263 942869295 /nfs/dbraw/zinc/86/92/95/942869295.db2.gz BBRXAEOMHRJQEZ-UHFFFAOYSA-N 0 0 413.206 4.294 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc(Cl)c1Br ZINC000556458442 942874172 /nfs/dbraw/zinc/87/41/72/942874172.db2.gz DSYCZOQNDUHUBG-QAPCUYQASA-N 0 0 411.727 4.478 20 30 HIEDRN CC(C)CN(CC(C)C)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000556507752 942887460 /nfs/dbraw/zinc/88/74/60/942887460.db2.gz FMEGJPNLVMMBPV-UHFFFAOYSA-N 0 0 423.561 4.121 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H]1CC2CCC1CC2 ZINC000556612123 942916218 /nfs/dbraw/zinc/91/62/18/942916218.db2.gz CXFKZHAJBDFUOM-MLFGXNJISA-N 0 0 417.509 4.079 20 30 HIEDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000556616703 942917138 /nfs/dbraw/zinc/91/71/38/942917138.db2.gz HMRAFAOCYBETOG-SFHVURJKSA-N 0 0 417.509 4.475 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000556625077 942920049 /nfs/dbraw/zinc/92/00/49/942920049.db2.gz DAFLJQQEILYCPU-GOSISDBHSA-N 0 0 406.873 4.378 20 30 HIEDRN N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccccc1 ZINC000556625021 942920102 /nfs/dbraw/zinc/92/01/02/942920102.db2.gz AYNIRTJGGTXSNJ-QFIPXVFZSA-N 0 0 414.465 4.364 20 30 HIEDRN Cc1cc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1Br ZINC000556625782 942920166 /nfs/dbraw/zinc/92/01/66/942920166.db2.gz PZPBINNFOFIHCS-GOSISDBHSA-N 0 0 414.303 4.247 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1)c1ccccc1 ZINC000556625020 942920256 /nfs/dbraw/zinc/92/02/56/942920256.db2.gz AYNIRTJGGTXSNJ-JOCHJYFZSA-N 0 0 414.465 4.364 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556711011 942929852 /nfs/dbraw/zinc/92/98/52/942929852.db2.gz CFEFJHKAFVUQLF-AZUAARDMSA-N 0 0 400.885 4.008 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)Nc3cc(F)ccc3Br)CC2)c(F)c1 ZINC000556897018 942956572 /nfs/dbraw/zinc/95/65/72/942956572.db2.gz QFGUTPABLKEMOB-UHFFFAOYSA-N 0 0 420.257 4.454 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c(F)c1 ZINC000556923208 942967209 /nfs/dbraw/zinc/96/72/09/942967209.db2.gz KAWQJOBQQGMTPL-DOTOQJQBSA-N 0 0 411.443 4.399 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc(OC(F)F)c(F)c3)CC2)c(F)c1 ZINC000556941102 942974808 /nfs/dbraw/zinc/97/48/08/942974808.db2.gz MLQRWYAMKPICRR-UHFFFAOYSA-N 0 0 408.351 4.121 20 30 HIEDRN N#Cc1cc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cnc1C(F)(F)F ZINC000556944825 942975959 /nfs/dbraw/zinc/97/59/59/942975959.db2.gz GVPISYNHFGACTO-AWEZNQCLSA-N 0 0 418.202 4.132 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)CC2)c(F)c1 ZINC000556956509 942979303 /nfs/dbraw/zinc/97/93/03/942979303.db2.gz FPNOEFJJCTYMQY-UHFFFAOYSA-N 0 0 422.460 4.013 20 30 HIEDRN C[C@@H](NC(=O)c1cnnn1Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000556961943 942980399 /nfs/dbraw/zinc/98/03/99/942980399.db2.gz IUTMSEYLPLGARL-GOSISDBHSA-N 0 0 407.477 4.356 20 30 HIEDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)Cc1c(F)cccc1C#N ZINC000556973354 942984825 /nfs/dbraw/zinc/98/48/25/942984825.db2.gz DPKDIPYYPZKPJY-MRXNPFEDSA-N 0 0 403.295 4.482 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556976255 942986227 /nfs/dbraw/zinc/98/62/27/942986227.db2.gz JTNVDWZUHMNYQI-RBBKRZOGSA-N 0 0 417.887 4.373 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)c(F)c1 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400.906 4.306 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000557062467 943009676 /nfs/dbraw/zinc/00/96/76/943009676.db2.gz WFANVLZNUZYOBH-LJQANCHMSA-N 0 0 410.468 4.228 20 30 HIEDRN Cn1ccnc1SCc1cccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 ZINC000557065492 943010733 /nfs/dbraw/zinc/01/07/33/943010733.db2.gz TWBYSBBTBMTTTL-UHFFFAOYSA-N 0 0 403.511 4.411 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)c(F)c1 ZINC000557120225 943024327 /nfs/dbraw/zinc/02/43/27/943024327.db2.gz DCSWCDOXBUDDDZ-UHFFFAOYSA-N 0 0 423.271 4.453 20 30 HIEDRN CCOC(=O)c1cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)c(F)cc1C ZINC000557121568 943024417 /nfs/dbraw/zinc/02/44/17/943024417.db2.gz MMJZLVWBDWESMM-UHFFFAOYSA-N 0 0 413.474 4.429 20 30 HIEDRN COc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1OC(C)C ZINC000557126191 943025300 /nfs/dbraw/zinc/02/53/00/943025300.db2.gz LQNBIBOEIGDSEJ-UHFFFAOYSA-N 0 0 412.461 4.177 20 30 HIEDRN COc1c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc(Cl)cc1C(N)=O ZINC000557200643 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HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000558533814 943590610 /nfs/dbraw/zinc/59/06/10/943590610.db2.gz QBNGBNKJKIIDPL-UHFFFAOYSA-N 0 0 403.816 4.014 20 30 HIEDRN COC(=O)[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OC)c(Cl)c1 ZINC000558575661 943605648 /nfs/dbraw/zinc/60/56/48/943605648.db2.gz SZVVRLALPIIKHW-QGZVFWFLSA-N 0 0 412.795 4.243 20 30 HIEDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558594321 943612555 /nfs/dbraw/zinc/61/25/55/943612555.db2.gz RYUZTEPJAVPMRB-INIZCTEOSA-N 0 0 401.432 4.363 20 30 HIEDRN CC(C)(C)n1ncc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1-c1ccccc1 ZINC000558594363 943612678 /nfs/dbraw/zinc/61/26/78/943612678.db2.gz VYEBPGATXODQCO-UHFFFAOYSA-N 0 0 413.525 4.398 20 30 HIEDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)n1 ZINC000558623218 943619962 /nfs/dbraw/zinc/61/99/62/943619962.db2.gz VKBOHCOXJGLRMS-INIZCTEOSA-N 0 0 416.481 4.198 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000558638805 943623274 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HIEDRN COC(=O)c1csc(-c2cccc(CNc3ccc4cc(C#N)ccc4n3)c2)n1 ZINC000558718924 943632831 /nfs/dbraw/zinc/63/28/31/943632831.db2.gz RNXJZVWGEPWEFZ-UHFFFAOYSA-N 0 0 400.463 4.629 20 30 HIEDRN COc1ccc(CN(C(=O)Nc2ccc(C#N)cc2OC)[C@H](C)C2CC2)c(OC)c1 ZINC000558780619 943660473 /nfs/dbraw/zinc/66/04/73/943660473.db2.gz BIQUQRROCVYYOH-OAHLLOKOSA-N 0 0 409.486 4.417 20 30 HIEDRN Cc1cc(Cl)c2ncc(C#N)c(NC3CCN(C(=O)CC(F)(F)F)CC3)c2c1 ZINC000558789322 943663749 /nfs/dbraw/zinc/66/37/49/943663749.db2.gz BFACVSZGLQZYCZ-UHFFFAOYSA-N 0 0 410.827 4.424 20 30 HIEDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000558889304 943721959 /nfs/dbraw/zinc/72/19/59/943721959.db2.gz SDDASZZHUNNETG-SFHVURJKSA-N 0 0 406.379 4.191 20 30 HIEDRN C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCc1ccccc1 ZINC000558899808 943734528 /nfs/dbraw/zinc/73/45/28/943734528.db2.gz CWLXOLJNBSMBDU-GOSISDBHSA-N 0 0 411.513 4.174 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000558961995 943772029 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421.589 4.314 20 30 HIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC000558996033 943794445 /nfs/dbraw/zinc/79/44/45/943794445.db2.gz XLXBSYGVKWGVCW-QGZVFWFLSA-N 0 0 417.517 4.088 20 30 HIEDRN C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[C@H](COC)C1 ZINC000558997801 943795178 /nfs/dbraw/zinc/79/51/78/943795178.db2.gz GORRGBFMSPPSAR-KRWDZBQOSA-N 0 0 409.559 4.426 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCN(c2ccccc2)CC1 ZINC000558997626 943795419 /nfs/dbraw/zinc/79/54/19/943795419.db2.gz PVIYDBARAOEHDL-UHFFFAOYSA-N 0 0 410.525 4.396 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)Cc1csc([C@H](C)OCC)n1 ZINC000558999059 943796323 /nfs/dbraw/zinc/79/63/23/943796323.db2.gz KXFTYFNWYPVVGD-INIZCTEOSA-N 0 0 412.563 4.030 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000558999818 943796376 /nfs/dbraw/zinc/79/63/76/943796376.db2.gz REAVUWCTXHDAGK-MRXNPFEDSA-N 0 0 401.580 4.022 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC000559004155 943800059 /nfs/dbraw/zinc/80/00/59/943800059.db2.gz LGHXEDRBDXUHNA-KRWDZBQOSA-N 0 0 423.492 4.112 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)Cc1ccc(Br)c(F)c1 ZINC000559005084 943800801 /nfs/dbraw/zinc/80/08/01/943800801.db2.gz DEOYIYGZUMBRBA-SUMWQHHRSA-N 0 0 423.330 4.490 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)Cc1ccc(CC)cc1 ZINC000559008783 943801452 /nfs/dbraw/zinc/80/14/52/943801452.db2.gz LHEIITXRMLEIHD-UHFFFAOYSA-N 0 0 424.570 4.124 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCc4cc(F)ccc43)c2)cc1 ZINC000559008892 943802460 /nfs/dbraw/zinc/80/24/60/943802460.db2.gz HSVNTFXBACYPJR-UHFFFAOYSA-N 0 0 401.397 4.017 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC000559009504 943802544 /nfs/dbraw/zinc/80/25/44/943802544.db2.gz SNLYVXFKYCGYFF-VABKMULXSA-N 0 0 422.573 4.495 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC000559012014 943804434 /nfs/dbraw/zinc/80/44/34/943804434.db2.gz HYCQGBPZULWQBF-QFIPXVFZSA-N 0 0 410.562 4.445 20 30 HIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC000559023350 943807641 /nfs/dbraw/zinc/80/76/41/943807641.db2.gz JUXUADWVTHEULG-GOSISDBHSA-N 0 0 415.545 4.130 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000559023635 943808397 /nfs/dbraw/zinc/80/83/97/943808397.db2.gz PNLOWGCWPJZSJI-GOSISDBHSA-N 0 0 408.468 4.301 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000559025971 943809073 /nfs/dbraw/zinc/80/90/73/943809073.db2.gz JYNAFWMEPIRJFU-UHFFFAOYSA-N 0 0 419.529 4.130 20 30 HIEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000559027366 943809174 /nfs/dbraw/zinc/80/91/74/943809174.db2.gz CIEOGKUNCKRDCB-UHFFFAOYSA-N 0 0 420.344 4.001 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC000559029535 943810016 /nfs/dbraw/zinc/81/00/16/943810016.db2.gz LXLQEOVMYCKBPK-QFIPXVFZSA-N 0 0 403.530 4.465 20 30 HIEDRN C=CC1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2CC(C)C)CC1 ZINC000559091258 943834183 /nfs/dbraw/zinc/83/41/83/943834183.db2.gz SCOJAJARGFLUKL-UHFFFAOYSA-N 0 0 420.561 4.123 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@]4(CC=CCC4)C3)n2C[C@H]2CCCO2)c1 ZINC000559131977 943850462 /nfs/dbraw/zinc/85/04/62/943850462.db2.gz IBSWWKVOJQFLRV-QPPBQGQZSA-N 0 0 403.530 4.322 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCSC4(CCCCC4)C3)n2C[C@H]2CCCO2)cc1 ZINC000559142003 943852974 /nfs/dbraw/zinc/85/29/74/943852974.db2.gz PQNDLUNOGVHQQV-HXUWFJFHSA-N 0 0 423.586 4.252 20 30 HIEDRN CC1(C#N)CCN(c2nnc(CCOc3ccccc3)n2Cc2cccs2)CC1 ZINC000559159340 943855150 /nfs/dbraw/zinc/85/51/50/943855150.db2.gz NZBQBPHITSAKJL-UHFFFAOYSA-N 0 0 407.543 4.139 20 30 HIEDRN C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cccs2)CC1 ZINC000559160599 943855792 /nfs/dbraw/zinc/85/57/92/943855792.db2.gz LQGMVVHVYYGEMM-UHFFFAOYSA-N 0 0 407.543 4.413 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+]CC2(C(=O)[O-])CCCC2)cc1OCC ZINC000559159858 943855874 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N#CCSc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 ZINC000017768840 846268857 /nfs/dbraw/zinc/26/88/57/846268857.db2.gz ZZCCKUBTRFZCOZ-UHFFFAOYSA-N 0 0 422.539 4.021 20 30 HIEDRN Cc1ccc(-c2csc3ncn(CCC(=O)Oc4ccc(C#N)cc4)c(=O)c23)cc1 ZINC000018185536 846307898 /nfs/dbraw/zinc/30/78/98/846307898.db2.gz YYOPNZKFTBLLSG-UHFFFAOYSA-N 0 0 415.474 4.301 20 30 HIEDRN Cc1nn(-c2ccccc2)c(COC(=O)/C=C/c2ccc(Br)o2)c1C#N ZINC000018193527 846308414 /nfs/dbraw/zinc/30/84/14/846308414.db2.gz MNUHOLPGXSVGEQ-CSKARUKUSA-N 0 0 412.243 4.165 20 30 HIEDRN N#Cc1ccc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(O)cc2)cc1 ZINC000018259972 846317876 /nfs/dbraw/zinc/31/78/76/846317876.db2.gz IBXUOFIKSVHKPI-UHFFFAOYSA-N 0 0 418.474 4.352 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000018890525 846344923 /nfs/dbraw/zinc/34/49/23/846344923.db2.gz MMELLSQDHHNTHA-UHFFFAOYSA-N 0 0 424.975 4.014 20 30 HIEDRN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc3nsnc32)n1 ZINC000019104810 846353451 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C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccccc1OC ZINC000020992300 846399059 /nfs/dbraw/zinc/39/90/59/846399059.db2.gz ZJCRRYCEXLWYAJ-HNNXBMFYSA-N 0 0 424.526 4.268 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000021088737 846404072 /nfs/dbraw/zinc/40/40/72/846404072.db2.gz PZADGXDKQJMOJA-LJQANCHMSA-N 0 0 422.510 4.016 20 30 HIEDRN C=CCn1c(SCC(=O)c2ccccc2F)nnc1[C@H]1COc2ccccc2O1 ZINC000021143986 846409813 /nfs/dbraw/zinc/40/98/13/846409813.db2.gz QFZXPRVCNRWAOK-LJQANCHMSA-N 0 0 411.458 4.091 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)COc3cccc(Cl)c3)s2)cc1 ZINC000021335289 846431406 /nfs/dbraw/zinc/43/14/06/846431406.db2.gz CIKIQJPFCCBCKW-UHFFFAOYSA-N 0 0 416.915 4.373 20 30 HIEDRN C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000021424847 846441555 /nfs/dbraw/zinc/44/15/55/846441555.db2.gz MATCGJHRMKVLLM-AWEZNQCLSA-N 0 0 415.478 4.319 20 30 HIEDRN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000021424844 846441755 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CCOc1ccc(-c2nc(COC(=O)COc3ccccc3C#N)cs2)cc1OC ZINC000022143634 846535896 /nfs/dbraw/zinc/53/58/96/846535896.db2.gz LYZXZIIYHWCBSA-UHFFFAOYSA-N 0 0 424.478 4.211 20 30 HIEDRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3SCC#N)n2C)c1 ZINC000022160289 846538822 /nfs/dbraw/zinc/53/88/22/846538822.db2.gz AHSHECPLTCXBEU-UHFFFAOYSA-N 0 0 409.540 4.137 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(F)cc1 ZINC000022162684 846538862 /nfs/dbraw/zinc/53/88/62/846538862.db2.gz MUCNKUGMFVMXQA-AWEZNQCLSA-N 0 0 414.481 4.379 20 30 HIEDRN Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000022185626 846541922 /nfs/dbraw/zinc/54/19/22/846541922.db2.gz MQGBPWDYKOOFAX-CYBMUJFWSA-N 0 0 421.478 4.256 20 30 HIEDRN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000022297000 846554560 /nfs/dbraw/zinc/55/45/60/846554560.db2.gz WSLIWRLAMBHOOA-ZIAGYGMSSA-N 0 0 412.515 4.352 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nnc1-c1ccc(OC)cc1 ZINC000022299417 846555098 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HIEDRN C=CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000023404757 846694368 /nfs/dbraw/zinc/69/43/68/846694368.db2.gz WIZYORWGEMCODJ-CQSZACIVSA-N 0 0 419.616 4.166 20 30 HIEDRN CN(C)C(=O)COc1ccccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000023464693 846704002 /nfs/dbraw/zinc/70/40/02/846704002.db2.gz ZBNNDFNQRRKBCL-UHFFFAOYSA-N 0 0 414.461 4.049 20 30 HIEDRN C=CCNc1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)s1 ZINC000023484706 846706332 /nfs/dbraw/zinc/70/63/32/846706332.db2.gz MZBFETCGLXVYHX-UHFFFAOYSA-N 0 0 403.558 4.299 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1cccc(C)c1 ZINC000023635036 846732875 /nfs/dbraw/zinc/73/28/75/846732875.db2.gz AAFRKAKQQVOADM-UHFFFAOYSA-N 0 0 422.558 4.482 20 30 HIEDRN CCCCOc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000023752768 846745541 /nfs/dbraw/zinc/74/55/41/846745541.db2.gz FKUTZPNRBYXNNQ-UHFFFAOYSA-N 0 0 421.541 4.094 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000436374168 861714369 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NVUJBYKZOVYUDB-LAUAKBEESA-N 0 0 411.870 4.405 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc(F)cc2I)c(Cl)c1 ZINC000225781546 853880184 /nfs/dbraw/zinc/88/01/84/853880184.db2.gz XXXAHGQDOSOARM-UHFFFAOYSA-N 0 0 400.578 4.208 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1C#N ZINC000228995246 853890655 /nfs/dbraw/zinc/89/06/55/853890655.db2.gz HZTLITFFNHFGOC-UHFFFAOYSA-N 0 0 405.049 4.207 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1 ZINC000230721271 853895974 /nfs/dbraw/zinc/89/59/74/853895974.db2.gz VVHGXSANUVKPPT-UHFFFAOYSA-N 0 0 406.088 4.428 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](NCc2cccc(C#N)c2)c2ccc(F)c(F)c2)c1 ZINC000237474585 854041037 /nfs/dbraw/zinc/04/10/37/854041037.db2.gz RXLBXPXUDIDBTQ-QFIPXVFZSA-N 0 0 412.461 4.119 20 30 HIEDRN CC(C)[C@@H](C)N(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 ZINC000437280297 862530176 /nfs/dbraw/zinc/53/01/76/862530176.db2.gz ZEPFIQXYZKUPEU-OAHLLOKOSA-N 0 0 409.461 4.464 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N([C@@H](C)C(C)C)C2CC2)cc1 ZINC000437281474 862531883 /nfs/dbraw/zinc/53/18/83/862531883.db2.gz UXKUGNFSKLJZIX-INIZCTEOSA-N 0 0 421.497 4.333 20 30 HIEDRN N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000247633062 854159165 /nfs/dbraw/zinc/15/91/65/854159165.db2.gz BXSOPMNMSIYHOH-UHFFFAOYSA-N 0 0 414.284 4.462 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000248150696 854182819 /nfs/dbraw/zinc/18/28/19/854182819.db2.gz HAIXQUZHQKHFDX-JXFKEZNVSA-N 0 0 412.559 4.289 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C#N)c(C)c1C ZINC000248164516 854183880 /nfs/dbraw/zinc/18/38/80/854183880.db2.gz NOORDDPTNUIIIM-FQEVSTJZSA-N 0 0 407.543 4.360 20 30 HIEDRN C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)CCCCC#N)[C@H]1C ZINC000251927833 854201782 /nfs/dbraw/zinc/20/17/82/854201782.db2.gz VBEZPTYZGPGLSA-ZIFCJYIRSA-N 0 0 406.548 4.066 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)N(CC)CC)nc2sc3c(c2c1=O)CCCCC3 ZINC000253489366 854207188 /nfs/dbraw/zinc/20/71/88/854207188.db2.gz DZQBOAIVJTURLW-CQSZACIVSA-N 0 0 419.616 4.262 20 30 HIEDRN CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000255080986 854217155 /nfs/dbraw/zinc/21/71/55/854217155.db2.gz NFTOBXNNNUDMGP-CYBMUJFWSA-N 0 0 410.392 4.490 20 30 HIEDRN Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)o2)c1 ZINC000255939742 854224382 /nfs/dbraw/zinc/22/43/82/854224382.db2.gz TXLOUIOBUGLCPK-HNNXBMFYSA-N 0 0 408.483 4.256 20 30 HIEDRN C#Cc1cccc(N(Cc2cccs2)C(=O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000261392806 854245267 /nfs/dbraw/zinc/24/52/67/854245267.db2.gz SRPASBQOZDXEKO-UHFFFAOYSA-N 0 0 416.502 4.226 20 30 HIEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)C2)c1 ZINC000261397925 854247103 /nfs/dbraw/zinc/24/71/03/854247103.db2.gz UEXVIYKAGMOKMR-MRXNPFEDSA-N 0 0 418.946 4.203 20 30 HIEDRN Cc1c(C(=O)NCc2cccc(OCC#N)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000261406409 854251129 /nfs/dbraw/zinc/25/11/29/854251129.db2.gz GXMUDYCKPCLKPL-UHFFFAOYSA-N 0 0 423.476 4.075 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000261418980 854255496 /nfs/dbraw/zinc/25/54/96/854255496.db2.gz CSSIGZGSXNMTOC-QHCPKHFHSA-N 0 0 406.530 4.053 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N1CCCCC1 ZINC000301145428 854310887 /nfs/dbraw/zinc/31/08/87/854310887.db2.gz MWMNLYPWYVLXSJ-HNNXBMFYSA-N 0 0 420.966 4.190 20 30 HIEDRN Cc1cc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n2c3ccccc3nc2c1C#N ZINC000301237145 854335791 /nfs/dbraw/zinc/33/57/91/854335791.db2.gz MEIXGBFPPWSPNV-KRWDZBQOSA-N 0 0 403.530 4.046 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000301250390 854339108 /nfs/dbraw/zinc/33/91/08/854339108.db2.gz BXMYSAFVBJGAFH-UHFFFAOYSA-N 0 0 402.207 4.000 20 30 HIEDRN N#Cc1cc(Br)ccc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000301257119 854341475 /nfs/dbraw/zinc/34/14/75/854341475.db2.gz BTHMCJZNVXKLCK-LBPRGKRZSA-N 0 0 419.710 4.224 20 30 HIEDRN N#Cc1ccc(Cl)cc1N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000301293300 854349719 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C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H](C(=O)OCC)C2)c1=S ZINC000301397789 854382619 /nfs/dbraw/zinc/38/26/19/854382619.db2.gz CKVNGZVDJSRQOA-INIZCTEOSA-N 0 0 420.966 4.153 20 30 HIEDRN Cc1cc(C)c2ncc(C#N)c(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)c2c1 ZINC000301406000 854384135 /nfs/dbraw/zinc/38/41/35/854384135.db2.gz LUDPITDGCSIZCN-UHFFFAOYSA-N 0 0 409.493 4.167 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)nc1 ZINC000301467358 854401531 /nfs/dbraw/zinc/40/15/31/854401531.db2.gz YBDOVPHKESXYSO-QGZVFWFLSA-N 0 0 406.511 4.342 20 30 HIEDRN COc1ccc([C@H](CNc2ccc(C(F)(F)F)cc2C#N)N2CCOCC2)cc1 ZINC000301476747 854404585 /nfs/dbraw/zinc/40/45/85/854404585.db2.gz OSRZSGCBXQXRFK-FQEVSTJZSA-N 0 0 405.420 4.071 20 30 HIEDRN C=CCn1c(Sc2ccc(Cl)c(C#N)n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000301542584 854417126 /nfs/dbraw/zinc/41/71/26/854417126.db2.gz SPDZISRVWISWEU-INIZCTEOSA-N 0 0 411.874 4.048 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000301560420 854420895 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HIEDRN COc1ccc([C@H](CNc2cc(C#N)ccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000301730611 854453709 /nfs/dbraw/zinc/45/37/09/854453709.db2.gz SFVQHXGFERWYFE-FQEVSTJZSA-N 0 0 405.420 4.071 20 30 HIEDRN N#CCC[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 ZINC000301773170 854463015 /nfs/dbraw/zinc/46/30/15/854463015.db2.gz GNOWUNPMDJEMBP-QGZVFWFLSA-N 0 0 409.833 4.251 20 30 HIEDRN COc1ccc(Cl)cc1NC(=O)CCNc1ccc(C#N)cc1Br ZINC000301846002 854475564 /nfs/dbraw/zinc/47/55/64/854475564.db2.gz AJPGBFXTDUUDLR-UHFFFAOYSA-N 0 0 408.683 4.423 20 30 HIEDRN C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1nc(-c2ccccc2)no1 ZINC000301866170 854479392 /nfs/dbraw/zinc/47/93/92/854479392.db2.gz HLZKGMDZILZGTF-ZDUSSCGKSA-N 0 0 400.398 4.280 20 30 HIEDRN CC1CCN(S(=O)(=O)Cc2ccccc2CNc2c(F)cc(C#N)cc2F)CC1 ZINC000301870344 854480626 /nfs/dbraw/zinc/48/06/26/854480626.db2.gz WNCVUAWJYJQEQE-UHFFFAOYSA-N 0 0 419.497 4.010 20 30 HIEDRN C=CCn1c(Sc2ncnc3nc(SC)sc32)nnc1-c1ccoc1C ZINC000301925280 854494213 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CC(=O)c1ccc(C#N)c(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000302076708 854527106 /nfs/dbraw/zinc/52/71/06/854527106.db2.gz ACDJWFMFSHGRFG-INIZCTEOSA-N 0 0 413.403 4.206 20 30 HIEDRN CC(=O)c1ccc(C#N)c(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000302115920 854532489 /nfs/dbraw/zinc/53/24/89/854532489.db2.gz RMTMDTYAEQXGLH-UHFFFAOYSA-N 0 0 403.404 4.228 20 30 HIEDRN CC(=O)c1ccc(C#N)cc1NCCC(=O)Nc1cc(Br)ccc1C ZINC000302130076 854534204 /nfs/dbraw/zinc/53/42/04/854534204.db2.gz XSTSTXBRSYOPON-UHFFFAOYSA-N 0 0 400.276 4.273 20 30 HIEDRN COc1ccc(C2(CNc3ccc(Br)cc3C#N)CCOCC2)cc1 ZINC000302169925 854541597 /nfs/dbraw/zinc/54/15/97/854541597.db2.gz LVGJRQKTGLMROZ-UHFFFAOYSA-N 0 0 401.304 4.490 20 30 HIEDRN N#Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000302188520 854545963 /nfs/dbraw/zinc/54/59/63/854545963.db2.gz AEPZVRWFIZUJNA-UHFFFAOYSA-N 0 0 423.473 4.051 20 30 HIEDRN C#CCNC(=O)c1ccc(N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)nc1 ZINC000302207170 854550178 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20 30 HIEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 ZINC000303954606 855317984 /nfs/dbraw/zinc/31/79/84/855317984.db2.gz WSCNLHCPGALSID-MSYCTHLASA-N 0 0 409.505 4.231 20 30 HIEDRN COc1cccc(-c2ccc(CNC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)c1 ZINC000303957374 855319802 /nfs/dbraw/zinc/31/98/02/855319802.db2.gz BAFBOHZBLGNARM-UHFFFAOYSA-N 0 0 416.525 4.338 20 30 HIEDRN COCCN(C(=O)CCCOc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000303960623 855322651 /nfs/dbraw/zinc/32/26/51/855322651.db2.gz ZJGWAFJGNJCLOB-UHFFFAOYSA-N 0 0 417.303 4.159 20 30 HIEDRN Cc1cccc(F)c1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000437371285 862668723 /nfs/dbraw/zinc/66/87/23/862668723.db2.gz HZZUBFWWTLIJHE-UHFFFAOYSA-N 0 0 419.431 4.312 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000304070621 855349679 /nfs/dbraw/zinc/34/96/79/855349679.db2.gz UGQBYXSQQXMESD-UHFFFAOYSA-N 0 0 408.477 4.367 20 30 HIEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1 ZINC000304076953 855350681 /nfs/dbraw/zinc/35/06/81/855350681.db2.gz VGSPOWNIFUHZSW-UHFFFAOYSA-N 0 0 422.406 4.463 20 30 HIEDRN N#Cc1cc(Nc2cc(Br)ccc2I)ccc1N ZINC000305966889 855362186 /nfs/dbraw/zinc/36/21/86/855362186.db2.gz JVSSVXXNXOSNEO-UHFFFAOYSA-N 0 0 414.044 4.251 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000325710120 855405558 /nfs/dbraw/zinc/40/55/58/855405558.db2.gz LFKKSSHVAKUPEH-UHFFFAOYSA-N 0 0 411.296 4.061 20 30 HIEDRN C=CC[C@@H](CC)NS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000393799328 855469162 /nfs/dbraw/zinc/46/91/62/855469162.db2.gz OUWJSKUCCXFUQZ-SNVBAGLBSA-N 0 0 411.159 4.153 20 30 HIEDRN CCC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000409469995 855496691 /nfs/dbraw/zinc/49/66/91/855496691.db2.gz IZXZDDGSERYBQB-QFIPXVFZSA-N 0 0 404.514 4.460 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)n2)c1 ZINC000409475878 855500584 /nfs/dbraw/zinc/50/05/84/855500584.db2.gz QDTYVHJGJVMURF-UHFFFAOYSA-N 0 0 403.442 4.183 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC000409541244 855532972 /nfs/dbraw/zinc/53/29/72/855532972.db2.gz PQACFLFVHKNTFP-JQHSSLGASA-N 0 0 404.388 4.207 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000409544536 855534812 /nfs/dbraw/zinc/53/48/12/855534812.db2.gz LTHOFUQFJAWYDJ-IQDQWBFVSA-N 0 0 420.509 4.185 20 30 HIEDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000409544539 855534913 /nfs/dbraw/zinc/53/49/13/855534913.db2.gz LTHOFUQFJAWYDJ-WJTCQHJGSA-N 0 0 420.509 4.185 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409566212 855544037 /nfs/dbraw/zinc/54/40/37/855544037.db2.gz VOFZKDTXBNLPOM-IERDGZPVSA-N 0 0 421.513 4.254 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)ccc1C(F)(F)F ZINC000409568918 855545062 /nfs/dbraw/zinc/54/50/62/855545062.db2.gz AADJUMOBUPQTMQ-IBGZPJMESA-N 0 0 406.429 4.418 20 30 HIEDRN CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409576446 855548745 /nfs/dbraw/zinc/54/87/45/855548745.db2.gz VRVWBWHPHGTCDV-UHFFFAOYSA-N 0 0 407.417 4.300 20 30 HIEDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1 ZINC000409576842 855549682 /nfs/dbraw/zinc/54/96/82/855549682.db2.gz XYRKXLGOHFQJIR-CTNGQTDRSA-N 0 0 416.481 4.120 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1(c2cncc(Br)c2)CC1 ZINC000409578830 855550372 /nfs/dbraw/zinc/55/03/72/855550372.db2.gz BYOVQGWUISJZMP-UHFFFAOYSA-N 0 0 423.232 4.062 20 30 HIEDRN Cc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)N(C)C[C@@H](C)C#N)s1 ZINC000409593145 855556241 /nfs/dbraw/zinc/55/62/41/855556241.db2.gz GUNPTDVJSJDQLZ-INIZCTEOSA-N 0 0 405.589 4.270 20 30 HIEDRN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409591514 855556612 /nfs/dbraw/zinc/55/66/12/855556612.db2.gz OGJROTVGDGGRIH-HNNXBMFYSA-N 0 0 400.447 4.337 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000409599974 855559493 /nfs/dbraw/zinc/55/94/93/855559493.db2.gz YCXFCJGMLGAQIZ-UHFFFAOYSA-N 0 0 409.536 4.367 20 30 HIEDRN Cc1cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)n(-c2ccc(Cl)cc2)n1 ZINC000409636374 855575062 /nfs/dbraw/zinc/57/50/62/855575062.db2.gz CFFDNJXRDDZVPE-UHFFFAOYSA-N 0 0 402.845 4.144 20 30 HIEDRN N#Cc1c(C#N)c(N2CCC[C@H](c3ncc4n3CCCC4)C2)nc2c1CCCCCC2 ZINC000409651357 855584173 /nfs/dbraw/zinc/58/41/73/855584173.db2.gz KLXIHEZYCXMRLN-SFHVURJKSA-N 0 0 414.557 4.401 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000409655944 855587037 /nfs/dbraw/zinc/58/70/37/855587037.db2.gz DUQRPVUZBHHUJR-UHFFFAOYSA-N 0 0 413.905 4.480 20 30 HIEDRN COc1cccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1OC1CCCC1 ZINC000409695824 855606021 /nfs/dbraw/zinc/60/60/21/855606021.db2.gz KHHVKFOEMTXNEF-UHFFFAOYSA-N 0 0 416.481 4.004 20 30 HIEDRN Cn1c2ccc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2nc1C(F)F ZINC000409710059 855614377 /nfs/dbraw/zinc/61/43/77/855614377.db2.gz DVBRLOCILIDBIN-UHFFFAOYSA-N 0 0 415.284 4.468 20 30 HIEDRN COc1cc(N[C@@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)cc(OC)c1 ZINC000409720122 855619230 /nfs/dbraw/zinc/61/92/30/855619230.db2.gz MORIBQUZQDHRCV-CYBMUJFWSA-N 0 0 406.408 4.070 20 30 HIEDRN C=C(C)[C@H](NC(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000409758342 855638514 /nfs/dbraw/zinc/63/85/14/855638514.db2.gz NYGQSOAEGMQDLU-GMAHTHKFSA-N 0 0 423.463 4.484 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000409763221 855640731 /nfs/dbraw/zinc/64/07/31/855640731.db2.gz PCJYQRFSALEUEL-KSFYIVLOSA-N 0 0 415.484 4.443 20 30 HIEDRN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000409782427 855651365 /nfs/dbraw/zinc/65/13/65/855651365.db2.gz CYLQVFJCCPCOSI-DVMWJLJYSA-N 0 0 417.509 4.255 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000409798295 855658587 /nfs/dbraw/zinc/65/85/87/855658587.db2.gz UAXWEKGEWPJAEZ-UHFFFAOYSA-N 0 0 418.497 4.008 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 ZINC000409819957 855672045 /nfs/dbraw/zinc/67/20/45/855672045.db2.gz NLSFVBOLSVHWAX-NYSBEXSLSA-N 0 0 420.509 4.067 20 30 HIEDRN C=CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1nc(C(=O)OCC)cs1 ZINC000409834197 855678398 /nfs/dbraw/zinc/67/83/98/855678398.db2.gz VKSNJLKSUWCSPV-CYBMUJFWSA-N 0 0 408.907 4.268 20 30 HIEDRN CC(C)(COCc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000409885789 855706722 /nfs/dbraw/zinc/70/67/22/855706722.db2.gz JNKHXMZALJRBNZ-UHFFFAOYSA-N 0 0 401.466 4.471 20 30 HIEDRN Cc1cc(Br)cc2c1CN(C(=O)c1ccn(-c3cccc(C#N)c3)n1)CC2 ZINC000409895711 855711124 /nfs/dbraw/zinc/71/11/24/855711124.db2.gz LRMJFJNPIZIEQM-UHFFFAOYSA-N 0 0 421.298 4.013 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)n2)c1 ZINC000409898803 855713142 /nfs/dbraw/zinc/71/31/42/855713142.db2.gz ZGLZOBFJAUMDPZ-SFHVURJKSA-N 0 0 402.351 4.307 20 30 HIEDRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000409921059 855725348 /nfs/dbraw/zinc/72/53/48/855725348.db2.gz NKJAMHJBLIDKOJ-HNNXBMFYSA-N 0 0 419.934 4.030 20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)CC2)cc1 ZINC000409923292 855726295 /nfs/dbraw/zinc/72/62/95/855726295.db2.gz MJYAKXKFLDJMDC-UHFFFAOYSA-N 0 0 413.308 4.304 20 30 HIEDRN N#Cc1ccc(NC(=O)C2(c3ccc(I)cc3)CC2)c(Cl)c1 ZINC000409973449 855754867 /nfs/dbraw/zinc/75/48/67/855754867.db2.gz DWSCZIYUSPTLDA-UHFFFAOYSA-N 0 0 422.653 4.487 20 30 HIEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000409989806 855765547 /nfs/dbraw/zinc/76/55/47/855765547.db2.gz YYKRWSBGQYNFHQ-IBGZPJMESA-N 0 0 407.258 4.301 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437391407 862718655 /nfs/dbraw/zinc/71/86/55/862718655.db2.gz BNUFPGHDMLIAPJ-UZUQRXQVSA-N 0 0 423.513 4.404 20 30 HIEDRN Cc1nc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1I ZINC000410006414 855776172 /nfs/dbraw/zinc/77/61/72/855776172.db2.gz DXNMAFVPHWFHCF-AWEZNQCLSA-N 0 0 405.239 4.021 20 30 HIEDRN N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1Cl ZINC000410008417 855776876 /nfs/dbraw/zinc/77/68/76/855776876.db2.gz DCHOAVBIINTGMO-UHFFFAOYSA-N 0 0 404.848 4.276 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000410026429 855785240 /nfs/dbraw/zinc/78/52/40/855785240.db2.gz DZSPIBXSDMMZDM-OAQYLSRUSA-N 0 0 400.910 4.291 20 30 HIEDRN Cc1cc(CNC(=O)C[C@H](CC#N)c2ccccc2)ccc1I ZINC000410030462 855786743 /nfs/dbraw/zinc/78/67/43/855786743.db2.gz QDJVCSDOKLIPQL-KRWDZBQOSA-N 0 0 418.278 4.303 20 30 HIEDRN Cc1sc(NC(=O)c2ccc(I)c(F)c2)c(C#N)c1C ZINC000410055124 855803290 /nfs/dbraw/zinc/80/32/90/855803290.db2.gz UTHLLRUUYHYQBM-UHFFFAOYSA-N 0 0 400.216 4.233 20 30 HIEDRN COc1c(C)cc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1C ZINC000410103997 855822094 /nfs/dbraw/zinc/82/20/94/855822094.db2.gz DVVVMLAYCXNGBD-UHFFFAOYSA-N 0 0 412.433 4.023 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(CSc3ccc(C)cc3C)c2)C1=O ZINC000410108343 855823318 /nfs/dbraw/zinc/82/33/18/855823318.db2.gz VYOFGUATDPXVPE-OAQYLSRUSA-N 0 0 408.567 4.455 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)N(Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC000410109778 855824494 /nfs/dbraw/zinc/82/44/94/855824494.db2.gz YOKLDEFOFMGDFP-INIZCTEOSA-N 0 0 417.303 4.352 20 30 HIEDRN Cc1csc(C2(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CCCC2)n1 ZINC000410114497 855826796 /nfs/dbraw/zinc/82/67/96/855826796.db2.gz FCESNSKDNQXYJE-UHFFFAOYSA-N 0 0 415.462 4.090 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000410121063 855829473 /nfs/dbraw/zinc/82/94/73/855829473.db2.gz INCDOZKIFRQPBH-CQSZACIVSA-N 0 0 405.292 4.308 20 30 HIEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000410122566 855830101 /nfs/dbraw/zinc/83/01/01/855830101.db2.gz ZLKJJARLYNUTNI-RDJZCZTQSA-N 0 0 420.604 4.146 20 30 HIEDRN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)CO1 ZINC000410138963 855835225 /nfs/dbraw/zinc/83/52/25/855835225.db2.gz WAERVNRZFZPFHK-IFXJQAMLSA-N 0 0 424.444 4.036 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccnc2)ccc1C(F)(F)F ZINC000410140361 855835977 /nfs/dbraw/zinc/83/59/77/855835977.db2.gz QODNYBPOSMSLTF-IBGZPJMESA-N 0 0 417.412 4.040 20 30 HIEDRN C[C@H](NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000437393590 862726102 /nfs/dbraw/zinc/72/61/02/862726102.db2.gz GTSWOBSIQHOCKF-BSRJHKFKSA-N 0 0 407.514 4.244 20 30 HIEDRN C=CCN(C(=O)N[C@@H](c1ccc(F)cc1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000410183146 855853738 /nfs/dbraw/zinc/85/37/38/855853738.db2.gz ACXFUDKGPSRHPH-HTAPYJJXSA-N 0 0 422.508 4.457 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4cncnc4)cn3)c2)c1 ZINC000410202314 855860694 /nfs/dbraw/zinc/86/06/94/855860694.db2.gz ZYRXCVPJVHUBNS-UHFFFAOYSA-N 0 0 407.433 4.242 20 30 HIEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000410225070 855869124 /nfs/dbraw/zinc/86/91/24/855869124.db2.gz QSPFPIJGAWJQKQ-GTNSWQLSSA-N 0 0 423.336 4.034 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000410261969 855887955 /nfs/dbraw/zinc/88/79/55/855887955.db2.gz ARFARSVIYIBGLA-KRWDZBQOSA-N 0 0 415.287 4.118 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)c2)cc1 ZINC000410275514 855895893 /nfs/dbraw/zinc/89/58/93/855895893.db2.gz LENRJTVABDERPB-RPWUZVMVSA-N 0 0 413.477 4.111 20 30 HIEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cc2ccccc2s1 ZINC000410325199 855929360 /nfs/dbraw/zinc/92/93/60/855929360.db2.gz LFZQMVRHIVHHKI-HNNXBMFYSA-N 0 0 412.536 4.470 20 30 HIEDRN C=CCCc1ccccc1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000410352104 855943951 /nfs/dbraw/zinc/94/39/51/855943951.db2.gz OBIJABOMGODHMF-UHFFFAOYSA-N 0 0 401.304 4.326 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000410359392 855948458 /nfs/dbraw/zinc/94/84/58/855948458.db2.gz LXVPVFVFNVRFNI-BJLQDIEVSA-N 0 0 414.571 4.041 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000410359395 855948497 /nfs/dbraw/zinc/94/84/97/855948497.db2.gz LXVPVFVFNVRFNI-WSTZPKSXSA-N 0 0 414.571 4.041 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccc(Cl)cc3n2)cc1 ZINC000410389704 855968646 /nfs/dbraw/zinc/96/86/46/855968646.db2.gz FWURXRQZBPPYCD-UHFFFAOYSA-N 0 0 413.886 4.218 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000437399087 862742237 /nfs/dbraw/zinc/74/22/37/862742237.db2.gz WDAONEYCWJMFOF-HOTGVXAUSA-N 0 0 411.527 4.192 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc4ccc(Cl)cc4n3)C2)n1 ZINC000410407514 855980244 /nfs/dbraw/zinc/98/02/44/855980244.db2.gz OWRKOXVNBDGCRO-QGZVFWFLSA-N 0 0 405.889 4.318 20 30 HIEDRN COc1ccccc1[C@H](NC(=O)NCCSCc1ccccc1C#N)c1ccco1 ZINC000425988621 856033037 /nfs/dbraw/zinc/03/30/37/856033037.db2.gz GUPIQWDTDDHNIH-QFIPXVFZSA-N 0 0 421.522 4.482 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000426045956 856070895 /nfs/dbraw/zinc/07/08/95/856070895.db2.gz CZHSOUCYIJDFQV-UHFFFAOYSA-N 0 0 407.333 4.281 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCOC4(CCC4)C3)cc2F)c1 ZINC000426084521 856095883 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PRZZZOALGVVMGC-QGZVFWFLSA-N 0 0 409.461 4.467 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000437515578 862862362 /nfs/dbraw/zinc/86/23/62/862862362.db2.gz MHQUJSZUHJGQNY-VGOFRKELSA-N 0 0 401.938 4.091 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(CC)onc1-c1ccc(Br)cc1 ZINC000437510310 862859610 /nfs/dbraw/zinc/85/96/10/862859610.db2.gz ZXOBZKHQDKSNBF-KUHUBIRLSA-N 0 0 419.319 4.378 20 30 HIEDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ncc(C#N)cc3Cl)c2)cc1 ZINC000427919102 857007862 /nfs/dbraw/zinc/00/78/62/857007862.db2.gz YDVIHUMGODAHIO-UHFFFAOYSA-N 0 0 404.857 4.097 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000437512039 862860474 /nfs/dbraw/zinc/86/04/74/862860474.db2.gz HRFCZWKHCGGMFH-KSSFIOAISA-N 0 0 405.292 4.124 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 ZINC000427939922 857016447 /nfs/dbraw/zinc/01/64/47/857016447.db2.gz KANGTPKVZXQQDT-UHFFFAOYSA-N 0 0 419.403 4.354 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000437517220 862863134 /nfs/dbraw/zinc/86/31/34/862863134.db2.gz JOAUGCYEMGCRRP-UUOWRZLLSA-N 0 0 417.509 4.259 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000427988938 857034387 /nfs/dbraw/zinc/03/43/87/857034387.db2.gz FFFFLGFJPCFFRB-UHFFFAOYSA-N 0 0 419.554 4.266 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCC(Cn3cncn3)CC2)c1 ZINC000427986645 857034542 /nfs/dbraw/zinc/03/45/42/857034542.db2.gz GONWXICOGOZRTR-UHFFFAOYSA-N 0 0 421.888 4.148 20 30 HIEDRN CC(C)OCc1ccc(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1 ZINC000437520037 862864822 /nfs/dbraw/zinc/86/48/22/862864822.db2.gz XHVCGLAUHFCLKJ-UHFFFAOYSA-N 0 0 420.494 4.184 20 30 HIEDRN CC(=O)c1c(F)cc(F)cc1OCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000428027036 857047684 /nfs/dbraw/zinc/04/76/84/857047684.db2.gz IWYXYGWABHGGPC-GFCCVEGCSA-N 0 0 404.438 4.437 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000428044219 857053996 /nfs/dbraw/zinc/05/39/96/857053996.db2.gz JRHFPGOIQNBZEP-LJQANCHMSA-N 0 0 402.491 4.116 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000428047922 857055202 /nfs/dbraw/zinc/05/52/02/857055202.db2.gz GSUUCVSRUWRADW-GOSISDBHSA-N 0 0 404.919 4.322 20 30 HIEDRN COC(=O)[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000428063406 857059201 /nfs/dbraw/zinc/05/92/01/857059201.db2.gz LZNDBUDUMJLMGT-WWAKMMQFSA-N 0 0 414.452 4.496 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000437525130 862866686 /nfs/dbraw/zinc/86/66/86/862866686.db2.gz OJUBXFCLJGJKSD-BTYIYWSLSA-N 0 0 422.356 4.436 20 30 HIEDRN COC(=O)[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1ccc(OC)cc1 ZINC000428095850 857070942 /nfs/dbraw/zinc/07/09/42/857070942.db2.gz ZGNRBDKNQBNICE-DEOSSOPVSA-N 0 0 416.477 4.150 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000428111537 857075443 /nfs/dbraw/zinc/07/54/43/857075443.db2.gz OFVMOQHVWNZXEW-UHFFFAOYSA-N 0 0 403.507 4.134 20 30 HIEDRN Cc1nc(CN2CCC(CNc3nc4c(cc3C#N)CCCC4(C)C)CC2)oc1C ZINC000428131922 857084206 /nfs/dbraw/zinc/08/42/06/857084206.db2.gz ZTBVSXWZEHQLAC-UHFFFAOYSA-N 0 0 407.562 4.496 20 30 HIEDRN COc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1N1CCCC1=O ZINC000428156516 857089494 /nfs/dbraw/zinc/08/94/94/857089494.db2.gz GGBHQAZXWCEUCZ-UHFFFAOYSA-N 0 0 405.479 4.469 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000437532914 862870102 /nfs/dbraw/zinc/87/01/02/862870102.db2.gz GBPYLEXVNWTEOD-NMNUPHIUSA-N 0 0 410.514 4.074 20 30 HIEDRN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000428162899 857092131 /nfs/dbraw/zinc/09/21/31/857092131.db2.gz SZOAOCCCWWKZTN-ZMSDIMECSA-N 0 0 405.589 4.057 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)NCc3nc(-c4cccc(F)c4)no3)c2)cc1 ZINC000428164017 857092899 /nfs/dbraw/zinc/09/28/99/857092899.db2.gz VYJKDCHFOJZWGE-UHFFFAOYSA-N 0 0 413.412 4.421 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(N3CCC4(C[C@@H]4C(=O)N4CCCCC4)CC3)nc21 ZINC000428172078 857096521 /nfs/dbraw/zinc/09/65/21/857096521.db2.gz WWORMCHPTJMDAQ-HXUWFJFHSA-N 0 0 406.574 4.186 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1-c1ccccc1 ZINC000428214336 857113989 /nfs/dbraw/zinc/11/39/89/857113989.db2.gz CQJLPLAMFZZNDR-OAQYLSRUSA-N 0 0 416.481 4.274 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)c2)cc1 ZINC000428220773 857116387 /nfs/dbraw/zinc/11/63/87/857116387.db2.gz SBFSLJRZQGIFIJ-UHFFFAOYSA-N 0 0 413.412 4.314 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)Nc2cccc(F)c2-c2nc[nH]n2)c1 ZINC000428220414 857116393 /nfs/dbraw/zinc/11/63/93/857116393.db2.gz RIGZKTFLKCCFSM-UHFFFAOYSA-N 0 0 413.412 4.314 20 30 HIEDRN C=CCC[C@H](NC(=O)NCC1([S@@](C)=O)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000437539712 862874202 /nfs/dbraw/zinc/87/42/02/862874202.db2.gz UGPSFTNHLLFLEK-RKOGDMNLSA-N 0 0 402.482 4.313 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000437544516 862876705 /nfs/dbraw/zinc/87/67/05/862876705.db2.gz GIBKDSOBETVESF-COPCDDAFSA-N 0 0 414.571 4.476 20 30 HIEDRN N#Cc1csc(C(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1 ZINC000437546052 862877416 /nfs/dbraw/zinc/87/74/16/862877416.db2.gz JFULTJYVEICUMC-UHFFFAOYSA-N 0 0 421.497 4.300 20 30 HIEDRN CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428324987 857154779 /nfs/dbraw/zinc/15/47/79/857154779.db2.gz FUKVRHGVOUACQY-UHFFFAOYSA-N 0 0 415.497 4.198 20 30 HIEDRN CCN(CC)C(=O)c1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000437551076 862881103 /nfs/dbraw/zinc/88/11/03/862881103.db2.gz XEVZEMSQJABMLP-YADHBBJMSA-N 0 0 404.514 4.472 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000437553867 862882744 /nfs/dbraw/zinc/88/27/44/862882744.db2.gz CQGAZSXHAFQVMT-UHFFFAOYSA-N 0 0 407.470 4.244 20 30 HIEDRN C=CCn1c(SCC(=O)N2CC[C@@H]3CCC[C@@H]32)nnc1-c1ccc(Cl)cc1 ZINC000428531671 857246083 /nfs/dbraw/zinc/24/60/83/857246083.db2.gz GAMRIVJPDICHSJ-YOEHRIQHSA-N 0 0 402.951 4.278 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N(C)Cc1cc(OC)ccc1Br ZINC000428585375 857272086 /nfs/dbraw/zinc/27/20/86/857272086.db2.gz RMYMPBBKTSGTMH-UHFFFAOYSA-N 0 0 419.319 4.364 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1F ZINC000428624593 857281559 /nfs/dbraw/zinc/28/15/59/857281559.db2.gz UWPUNEDIYFQOQT-UHFFFAOYSA-N 0 0 400.169 4.389 20 30 HIEDRN N#CCCn1ncc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1-c1ccccc1 ZINC000428638165 857284547 /nfs/dbraw/zinc/28/45/47/857284547.db2.gz GEOSXNDIVGMRKF-NRFANRHFSA-N 0 0 422.492 4.104 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1-c1ccccc1 ZINC000428655992 857290619 /nfs/dbraw/zinc/29/06/19/857290619.db2.gz OHXITDGGWRUZFL-OAQYLSRUSA-N 0 0 414.509 4.143 20 30 HIEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428708219 857304147 /nfs/dbraw/zinc/30/41/47/857304147.db2.gz FHJBWRMKKFFQPC-GHTZIAJQSA-N 0 0 416.447 4.021 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCCc2nc3c(s2)CCCC3)c1-c1ccccc1 ZINC000428707064 857304666 /nfs/dbraw/zinc/30/46/66/857304666.db2.gz GQRHTHLGJZLEJD-UHFFFAOYSA-N 0 0 419.554 4.162 20 30 HIEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428747568 857316548 /nfs/dbraw/zinc/31/65/48/857316548.db2.gz XBIDMEBEXOYCDQ-NQIIRXRSSA-N 0 0 416.447 4.021 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786393 857338592 /nfs/dbraw/zinc/33/85/92/857338592.db2.gz ICXKHJGRUKWDGM-GGAORHGYSA-N 0 0 423.476 4.246 20 30 HIEDRN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789596 857340780 /nfs/dbraw/zinc/34/07/80/857340780.db2.gz AHDKLXAVGQNBAB-NQIIRXRSSA-N 0 0 412.493 4.101 20 30 HIEDRN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428789598 857340874 /nfs/dbraw/zinc/34/08/74/857340874.db2.gz AHDKLXAVGQNBAB-RXVVDRJESA-N 0 0 412.493 4.101 20 30 HIEDRN Cn1cc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O ZINC000428804116 857350944 /nfs/dbraw/zinc/35/09/44/857350944.db2.gz SSYHXVOBVVRGHS-XMMPIXPASA-N 0 0 423.472 4.112 20 30 HIEDRN CCCCCn1cc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(C)n1 ZINC000428803920 857351074 /nfs/dbraw/zinc/35/10/74/857351074.db2.gz MBKOLYCFJUGPQS-UHFFFAOYSA-N 0 0 404.518 4.089 20 30 HIEDRN COc1ccc(C[C@H](C)CN(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428808749 857354327 /nfs/dbraw/zinc/35/43/27/857354327.db2.gz FDVOJBNFPYAWPT-IBGZPJMESA-N 0 0 416.525 4.423 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c1-c1ccccc1 ZINC000428810375 857355379 /nfs/dbraw/zinc/35/53/79/857355379.db2.gz HQQZVTDKYMDCQF-HXUWFJFHSA-N 0 0 420.900 4.411 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000428878836 857384250 /nfs/dbraw/zinc/38/42/50/857384250.db2.gz BZLUCEHMMORZET-KBPBESRZSA-N 0 0 400.470 4.039 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCC(OC3CCCCC3)CC2)c1-c1ccccc1 ZINC000428908443 857407648 /nfs/dbraw/zinc/40/76/48/857407648.db2.gz WDDKMJACVRAITG-UHFFFAOYSA-N 0 0 406.530 4.418 20 30 HIEDRN N#Cc1c(F)cccc1CN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000428938484 857426104 /nfs/dbraw/zinc/42/61/04/857426104.db2.gz 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4.348 20 30 HIEDRN Cn1nccc1-c1ccccc1CNc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000431032346 858411178 /nfs/dbraw/zinc/41/11/78/858411178.db2.gz BLRMUOIRFUTDLF-UHFFFAOYSA-N 0 0 418.551 4.715 20 30 HIEDRN COC(=O)[C@@H](CNC(=O)c1cccc(SCC#N)c1)Cc1ccc2ccccc2c1 ZINC000431032863 858411298 /nfs/dbraw/zinc/41/12/98/858411298.db2.gz FFJJXDWYBOMOLL-OAQYLSRUSA-N 0 0 418.518 4.217 20 30 HIEDRN Cc1cc(C(=O)N(CCC#N)CCC(C)C)nn1-c1ccc(Br)cc1 ZINC000431033999 858411323 /nfs/dbraw/zinc/41/13/23/858411323.db2.gz LSYWVWRDJDDYKH-UHFFFAOYSA-N 0 0 403.324 4.345 20 30 HIEDRN COC(=O)[C@H](CNC(=O)c1cccc(SCC#N)c1)Cc1ccc2ccccc2c1 ZINC000431032862 858411606 /nfs/dbraw/zinc/41/16/06/858411606.db2.gz FFJJXDWYBOMOLL-NRFANRHFSA-N 0 0 418.518 4.217 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2nccs2)c2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431051744 858419227 /nfs/dbraw/zinc/41/92/27/858419227.db2.gz QFNMAKRCPIFJPB-UXHICEINSA-N 0 0 403.507 4.294 20 30 HIEDRN Cc1ccc(SC2(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CCCC2)cc1 ZINC000431158616 858477698 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KJHTXPKVBMXUOD-AWEZNQCLSA-N 0 0 409.515 4.323 20 30 HIEDRN Cc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c(O[C@H]2CCOC2)c1 ZINC000431291490 858549045 /nfs/dbraw/zinc/54/90/45/858549045.db2.gz DZXOSKYPPSOUPZ-VXKWHMMOSA-N 0 0 407.514 4.397 20 30 HIEDRN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000431293560 858551034 /nfs/dbraw/zinc/55/10/34/858551034.db2.gz XDUBONCUKAFHAT-UHFFFAOYSA-N 0 0 413.742 4.126 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)o1 ZINC000431321971 858564484 /nfs/dbraw/zinc/56/44/84/858564484.db2.gz HARHQCDGAOQTTB-UHFFFAOYSA-N 0 0 402.357 4.341 20 30 HIEDRN Cc1ccc([C@H]2NC(=O)N(C3CCC(Oc4ccccc4C#N)CC3)C2=O)cc1C ZINC000431335198 858570210 /nfs/dbraw/zinc/57/02/10/858570210.db2.gz XBLZOHCWINMDKG-QETWGEEDSA-N 0 0 403.482 4.158 20 30 HIEDRN COc1cccc2c1[C@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 ZINC000431350463 858575226 /nfs/dbraw/zinc/57/52/26/858575226.db2.gz NZIACBCWFDBGOF-OAQYLSRUSA-N 0 0 411.461 4.488 20 30 HIEDRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000431366773 858581416 /nfs/dbraw/zinc/58/14/16/858581416.db2.gz GSXPBDHBZDMHRB-BBATYDOGSA-N 0 0 419.378 4.094 20 30 HIEDRN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000431405232 858599074 /nfs/dbraw/zinc/59/90/74/858599074.db2.gz ZBZKAEAOSOHQKI-HXUWFJFHSA-N 0 0 406.486 4.215 20 30 HIEDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1cccc(SCC#N)c1 ZINC000437710275 863042825 /nfs/dbraw/zinc/04/28/25/863042825.db2.gz UMOUEVCEYWNTDK-UHFFFAOYSA-N 0 0 409.433 4.303 20 30 HIEDRN Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000437715770 863047468 /nfs/dbraw/zinc/04/74/68/863047468.db2.gz FZSSQXUVBKPJJC-UHFFFAOYSA-N 0 0 418.884 4.083 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000431511685 858650606 /nfs/dbraw/zinc/65/06/06/858650606.db2.gz LNUACYMEVQUSLK-HNAYVOBHSA-N 0 0 407.539 4.416 20 30 HIEDRN C=CCOc1cccc(NC(=O)N2CCC(Nc3cccc(C(=O)OC)c3)CC2)c1 ZINC000431524007 858655812 /nfs/dbraw/zinc/65/58/12/858655812.db2.gz ZVPOITGBGHQJPY-UHFFFAOYSA-N 0 0 409.486 4.146 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000431540052 858662634 /nfs/dbraw/zinc/66/26/34/858662634.db2.gz VRFQVQKPUSXFEK-UHFFFAOYSA-N 0 0 410.543 4.363 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000431639454 858705934 /nfs/dbraw/zinc/70/59/34/858705934.db2.gz NHVHKDBXJMPUII-KRWDZBQOSA-N 0 0 407.417 4.291 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000437725264 863055637 /nfs/dbraw/zinc/05/56/37/863055637.db2.gz XZHZGVQBBOJRRY-CPUCHLNUSA-N 0 0 413.381 4.210 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000431714670 858757155 /nfs/dbraw/zinc/75/71/55/858757155.db2.gz ZBWAUAMCDPDETJ-UHFFFAOYSA-N 0 0 417.296 4.163 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000431715111 858757219 /nfs/dbraw/zinc/75/72/19/858757219.db2.gz YGJOBYKHYCVNRD-GOSISDBHSA-N 0 0 400.276 4.235 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3CC(OCCCc4ccccc4)C3)cc2)nc1 ZINC000431714980 858757613 /nfs/dbraw/zinc/75/76/13/858757613.db2.gz IJMBFNIIVGLHHC-UHFFFAOYSA-N 0 0 413.477 4.219 20 30 HIEDRN C=CC1CCN(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)CC1 ZINC000431806215 858821185 /nfs/dbraw/zinc/82/11/85/858821185.db2.gz ALLPXMSUNFQAQR-UHFFFAOYSA-N 0 0 403.280 4.461 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000431837276 858833404 /nfs/dbraw/zinc/83/34/04/858833404.db2.gz KMIXCHKCANZPPP-UHFFFAOYSA-N 0 0 409.442 4.059 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000431911473 858866692 /nfs/dbraw/zinc/86/66/92/858866692.db2.gz IISHRPWSDFOLJP-NRFANRHFSA-N 0 0 413.449 4.032 20 30 HIEDRN N#CCCC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000431924773 858871996 /nfs/dbraw/zinc/87/19/96/858871996.db2.gz LHGXATAVJNHHHS-IRLDBZIGSA-N 0 0 419.504 4.401 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2cccc(N3CCCC3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431933223 858877186 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416.529 4.115 20 30 HIEDRN Cc1c(F)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Br ZINC000432647200 859271570 /nfs/dbraw/zinc/27/15/70/859271570.db2.gz RMQHJERFZUMGGN-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN C[C@@H]1CN(c2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cn2)C[C@@H](C)O1 ZINC000432651397 859273976 /nfs/dbraw/zinc/27/39/76/859273976.db2.gz IDQFDDYHZXLMRT-DBXWQHBBSA-N 0 0 407.518 4.252 20 30 HIEDRN Cc1c(F)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Br ZINC000432654726 859276297 /nfs/dbraw/zinc/27/62/97/859276297.db2.gz QLVNGXDJYSEWCC-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c1 ZINC000467591742 881402800 /nfs/dbraw/zinc/40/28/00/881402800.db2.gz UHOWEGIOSCCPAZ-UHFFFAOYSA-N 0 0 424.460 4.160 20 30 HIEDRN Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000432662766 859279130 /nfs/dbraw/zinc/27/91/30/859279130.db2.gz ASJSBQZHQZXXJE-MRXNPFEDSA-N 0 0 415.291 4.018 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000432697221 859302232 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HIEDRN CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)cc21 ZINC000432776594 859355936 /nfs/dbraw/zinc/35/59/36/859355936.db2.gz PSNSVFFLQRZDRW-UHFFFAOYSA-N 0 0 419.304 4.052 20 30 HIEDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000432802607 859367344 /nfs/dbraw/zinc/36/73/44/859367344.db2.gz CMEZJDJENINJDG-CYBMUJFWSA-N 0 0 404.392 4.041 20 30 HIEDRN C=C(C)Cn1c(Sc2ncnc3c(OC)cc(OC)cc23)nnc1-c1ccncc1 ZINC000432846417 859385708 /nfs/dbraw/zinc/38/57/08/859385708.db2.gz JRPXZBSJAXYGOY-UHFFFAOYSA-N 0 0 420.498 4.028 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1Br ZINC000432864324 859395339 /nfs/dbraw/zinc/39/53/39/859395339.db2.gz HIGXTWWRKLPSIW-LJQANCHMSA-N 0 0 417.328 4.161 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)cc1Br ZINC000432874113 859401397 /nfs/dbraw/zinc/40/13/97/859401397.db2.gz TYSMNFWMAWTWGR-UHFFFAOYSA-N 0 0 409.305 4.047 20 30 HIEDRN Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1N1C(=O)CCC1=O ZINC000432875183 859402241 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HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000438939393 864415185 /nfs/dbraw/zinc/41/51/85/864415185.db2.gz YGOSBZLIZBUKSP-MRXNPFEDSA-N 0 0 404.919 4.036 20 30 HIEDRN N#CCC[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)c1ccccc1 ZINC000438944373 864419228 /nfs/dbraw/zinc/41/92/28/864419228.db2.gz BHHQSWZNGFVTJT-HNNXBMFYSA-N 0 0 415.259 4.051 20 30 HIEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000438949843 864422446 /nfs/dbraw/zinc/42/24/46/864422446.db2.gz RHKDRVBNZVFNPT-UHFFFAOYSA-N 0 0 416.909 4.224 20 30 HIEDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)CCCCOc1cccc(C#N)c1 ZINC000438951729 864423654 /nfs/dbraw/zinc/42/36/54/864423654.db2.gz UGSOFHABSIDIFH-UHFFFAOYSA-N 0 0 405.498 4.354 20 30 HIEDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000438961355 864429493 /nfs/dbraw/zinc/42/94/93/864429493.db2.gz JMOVMXYKFFFZOI-HNNXBMFYSA-N 0 0 423.284 4.248 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000438981954 864445463 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CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000439047012 864498671 /nfs/dbraw/zinc/49/86/71/864498671.db2.gz ZIKFMGVZKVIIJY-OAQYLSRUSA-N 0 0 420.557 4.289 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)c2cnc3scc(C)n3c2=O)C(C)(C)C)cc1 ZINC000467910259 881774224 /nfs/dbraw/zinc/77/42/24/881774224.db2.gz PLYMPRNJKWCCSZ-UHFFFAOYSA-N 0 0 411.527 4.070 20 30 HIEDRN C=CCN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1nc(C(=O)OCC)cs1 ZINC000439106804 864544547 /nfs/dbraw/zinc/54/45/47/864544547.db2.gz IVGMQSKJHKVBIM-UHFFFAOYSA-N 0 0 409.851 4.023 20 30 HIEDRN CCN(CCC#N)C(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000439131313 864565639 /nfs/dbraw/zinc/56/56/39/864565639.db2.gz DRHSBQVTPVAAED-UHFFFAOYSA-N 0 0 417.303 4.412 20 30 HIEDRN CCN(CCC#N)C(=O)c1ccc(OCc2ccc(Br)s2)c(OC)c1 ZINC000439141918 864575195 /nfs/dbraw/zinc/57/51/95/864575195.db2.gz USNFYPHXJSDADN-UHFFFAOYSA-N 0 0 423.332 4.474 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c1C ZINC000439167939 864596869 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N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000439590204 864913020 /nfs/dbraw/zinc/91/30/20/864913020.db2.gz AJCXXERFLMZELX-UHFFFAOYSA-N 0 0 422.554 4.138 20 30 HIEDRN Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000439598931 864921035 /nfs/dbraw/zinc/92/10/35/864921035.db2.gz UPWPFJGERZFOEK-UHFFFAOYSA-N 0 0 414.731 4.138 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000439599728 864923445 /nfs/dbraw/zinc/92/34/45/864923445.db2.gz UCGCSUQRNQZRMM-UHFFFAOYSA-N 0 0 418.497 4.468 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000439617706 864940416 /nfs/dbraw/zinc/94/04/16/864940416.db2.gz KDKTTXFYUHYMKG-UHFFFAOYSA-N 0 0 423.357 4.451 20 30 HIEDRN CCOc1c(Cl)cc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc1Cl ZINC000439619264 864943409 /nfs/dbraw/zinc/94/34/09/864943409.db2.gz ONRHCOUOSRJEFL-UHFFFAOYSA-N 0 0 400.306 4.119 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000439646499 864972608 /nfs/dbraw/zinc/97/26/08/864972608.db2.gz UKUAURMNQURKEL-UHFFFAOYSA-N 0 0 423.488 4.396 20 30 HIEDRN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000439651786 864978220 /nfs/dbraw/zinc/97/82/20/864978220.db2.gz HDZFERZROLZUKE-HSZRJFAPSA-N 0 0 418.541 4.112 20 30 HIEDRN N#CCC[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1 ZINC000439662863 864991803 /nfs/dbraw/zinc/99/18/03/864991803.db2.gz AXTJFOLCVDUZRK-MRXNPFEDSA-N 0 0 410.524 4.161 20 30 HIEDRN CCCCCn1nc(C(=O)N[C@H](CCC#N)c2ccccc2)c2ccccc2c1=O ZINC000439664003 864992802 /nfs/dbraw/zinc/99/28/02/864992802.db2.gz DNUKOKUFACDMTG-OAQYLSRUSA-N 0 0 402.498 4.362 20 30 HIEDRN CCCc1c(NC(=O)N(C)Cc2cccc(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000439663688 864992988 /nfs/dbraw/zinc/99/29/88/864992988.db2.gz SPAODCLIGPFQTN-UHFFFAOYSA-N 0 0 403.486 4.369 20 30 HIEDRN N#CCC[C@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 ZINC000439666668 864997451 /nfs/dbraw/zinc/99/74/51/864997451.db2.gz PHIFOKZHBRTCEC-SFHVURJKSA-N 0 0 411.918 4.174 20 30 HIEDRN N#CCC[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)c1ccccc1 ZINC000439666640 864997496 /nfs/dbraw/zinc/99/74/96/864997496.db2.gz PDKUTBQHTNWZRX-SFHVURJKSA-N 0 0 409.287 4.410 20 30 HIEDRN CCCc1c(NC(=O)N2CCC[C@]3(CCCOC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439668916 864999678 /nfs/dbraw/zinc/99/96/78/864999678.db2.gz BEHFGWCFUMNCDD-QHCPKHFHSA-N 0 0 407.518 4.121 20 30 HIEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](CCC#N)c3ccccc3)C2)c1 ZINC000439671233 865003618 /nfs/dbraw/zinc/00/36/18/865003618.db2.gz HEDDGZXBVMXHEM-GGAORHGYSA-N 0 0 403.526 4.317 20 30 HIEDRN CCn1c(SCC(=O)N[C@H](CCC#N)c2ccccc2)nnc1-c1cccs1 ZINC000439674618 865007224 /nfs/dbraw/zinc/00/72/24/865007224.db2.gz QPAKTVHZNNFTOV-MRXNPFEDSA-N 0 0 411.556 4.280 20 30 HIEDRN CCCc1c(NC(=O)NCc2cc(C#N)ccc2F)cnn1-c1cccc(C#N)c1 ZINC000439673908 865007332 /nfs/dbraw/zinc/00/73/32/865007332.db2.gz OGBHCBJURWZXMF-UHFFFAOYSA-N 0 0 402.433 4.029 20 30 HIEDRN CCCc1c(NC(=O)N2CCC(OCC(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439675802 865010078 /nfs/dbraw/zinc/01/00/78/865010078.db2.gz SHSYFHXZGIZTCN-UHFFFAOYSA-N 0 0 409.534 4.365 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ccc(F)cc1I)c1ccccc1 ZINC000439676994 865010666 /nfs/dbraw/zinc/01/06/66/865010666.db2.gz ZFVJOLHAAGXBCN-MRXNPFEDSA-N 0 0 408.214 4.205 20 30 HIEDRN CCCc1c(NC(=O)NCc2nc(C3CC3)cs2)cnn1-c1cccc(C#N)c1 ZINC000439678408 865013262 /nfs/dbraw/zinc/01/32/62/865013262.db2.gz CJASTLLASOKGCL-UHFFFAOYSA-N 0 0 406.515 4.352 20 30 HIEDRN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](CCC#N)c2ccccc2)cc1C ZINC000439679788 865014364 /nfs/dbraw/zinc/01/43/64/865014364.db2.gz YAMKVALDEOXEQK-HXUWFJFHSA-N 0 0 405.527 4.138 20 30 HIEDRN CCCc1c(NC(=O)NCc2ccnc(SC)c2)cnn1-c1cccc(C#N)c1 ZINC000439681540 865016210 /nfs/dbraw/zinc/01/62/10/865016210.db2.gz BAAJKWXUSOMBLH-UHFFFAOYSA-N 0 0 406.515 4.135 20 30 HIEDRN C[C@@H](Sc1ccccc1C#N)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000439687406 865022834 /nfs/dbraw/zinc/02/28/34/865022834.db2.gz WSSHYLYQNIVCER-LLVKDONJSA-N 0 0 405.401 4.043 20 30 HIEDRN CCCc1c(NC(=O)NCCCCNc2ccccn2)cnn1-c1cccc(C#N)c1 ZINC000439690244 865026524 /nfs/dbraw/zinc/02/65/24/865026524.db2.gz ASPFWZGDHUKPGA-UHFFFAOYSA-N 0 0 417.517 4.105 20 30 HIEDRN CCCc1c(NC(=O)NCC2(CCOCC)CCC2)cnn1-c1cccc(C#N)c1 ZINC000439689830 865026981 /nfs/dbraw/zinc/02/69/81/865026981.db2.gz DDOWIAOFPIHEAK-UHFFFAOYSA-N 0 0 409.534 4.415 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439689853 865027088 /nfs/dbraw/zinc/02/70/88/865027088.db2.gz DGTOCKHRAGCJDE-NRFANRHFSA-N 0 0 417.513 4.332 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000439691972 865028188 /nfs/dbraw/zinc/02/81/88/865028188.db2.gz HPOLVIFFJQLWEX-OXQOHEQNSA-N 0 0 415.497 4.383 20 30 HIEDRN COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccccc3C#N)n2)c1 ZINC000439721047 865055379 /nfs/dbraw/zinc/05/53/79/865055379.db2.gz RFGITPFMDSIVAX-UHFFFAOYSA-N 0 0 411.508 4.430 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000439776784 865101366 /nfs/dbraw/zinc/10/13/66/865101366.db2.gz XSRVMMZOEWIWKE-SFHVURJKSA-N 0 0 410.352 4.414 20 30 HIEDRN CCCc1c(NCc2ccc(O[C@@H](C)C(=O)OC)cc2)cnn1-c1cccc(C#N)c1 ZINC000439781500 865103991 /nfs/dbraw/zinc/10/39/91/865103991.db2.gz NZAWNKVHQZQGEO-KRWDZBQOSA-N 0 0 418.497 4.249 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)OC)c1OC(C)C ZINC000439800690 865119724 /nfs/dbraw/zinc/11/97/24/865119724.db2.gz KUSMKEUYUSNVJD-UHFFFAOYSA-N 0 0 412.486 4.489 20 30 HIEDRN Cc1noc(C2CCC(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)CC2)n1 ZINC000439837165 865150058 /nfs/dbraw/zinc/15/00/58/865150058.db2.gz PSXDBSPWWXGZAN-UHFFFAOYSA-N 0 0 416.481 4.285 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC(c2nc(C)no2)CC1 ZINC000439866646 865174055 /nfs/dbraw/zinc/17/40/55/865174055.db2.gz MLIKSOVIEJMMEJ-UHFFFAOYSA-N 0 0 409.408 4.418 20 30 HIEDRN Cc1cccc(NC(=O)N2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000439915032 865222636 /nfs/dbraw/zinc/22/26/36/865222636.db2.gz OBHJUDMNHITTDZ-UHFFFAOYSA-N 0 0 417.431 4.095 20 30 HIEDRN CN(C(=O)c1ccc(C(=O)N(C)c2ccc(C#N)cc2)s1)c1ccc(C#N)cc1 ZINC000439917516 865224477 /nfs/dbraw/zinc/22/44/77/865224477.db2.gz AFPOAFNVHGKMPY-UHFFFAOYSA-N 0 0 400.463 4.045 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)c(F)c1 ZINC000439970303 865262406 /nfs/dbraw/zinc/26/24/06/865262406.db2.gz VUFGAVACVAFYEI-UHFFFAOYSA-N 0 0 411.239 4.497 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C)c1ccccc1 ZINC000440053392 865329555 /nfs/dbraw/zinc/32/95/55/865329555.db2.gz QPWZUXPWFFKLAR-FQEVSTJZSA-N 0 0 402.498 4.158 20 30 HIEDRN CCCc1c(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)cnn1-c1cccc(C#N)c1 ZINC000440069804 865336225 /nfs/dbraw/zinc/33/62/25/865336225.db2.gz LBOXJCHSWPUKID-KRWDZBQOSA-N 0 0 416.481 4.305 20 30 HIEDRN CCCc1c(NC(=O)c2oc3c(c2C)C(=O)CCC3)cnn1-c1cccc(C#N)c1 ZINC000440072282 865337679 /nfs/dbraw/zinc/33/76/79/865337679.db2.gz CUKPQJACTRODPB-UHFFFAOYSA-N 0 0 402.454 4.369 20 30 HIEDRN CCCc1c(NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cnn1-c1cccc(C#N)c1 ZINC000440071175 865338256 /nfs/dbraw/zinc/33/82/56/865338256.db2.gz AAVOAJYSYLJTFR-UHFFFAOYSA-N 0 0 400.442 4.240 20 30 HIEDRN CCCc1c(NC(=O)C2(c3ccccc3OC)CC2)cnn1-c1cccc(C#N)c1 ZINC000440071576 865338787 /nfs/dbraw/zinc/33/87/87/865338787.db2.gz BLURGXDCAROFCK-UHFFFAOYSA-N 0 0 400.482 4.375 20 30 HIEDRN CCCc1c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cnn1-c1cccc(C#N)c1 ZINC000440075371 865341446 /nfs/dbraw/zinc/34/14/46/865341446.db2.gz IIPFHUBUNNUGQN-NRFANRHFSA-N 0 0 406.873 4.292 20 30 HIEDRN CCCc1c(NC(=O)c2ccccc2OCCOCC)cnn1-c1cccc(C#N)c1 ZINC000440078986 865344261 /nfs/dbraw/zinc/34/42/61/865344261.db2.gz MLAAXCZLNFDJPA-UHFFFAOYSA-N 0 0 418.497 4.364 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(OCC)c(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440079564 865344302 /nfs/dbraw/zinc/34/43/02/865344302.db2.gz ONPFLXBLMUKCHZ-UHFFFAOYSA-N 0 0 404.470 4.356 20 30 HIEDRN CCCc1c(NC(=O)C2(c3ccccc3)CCOCC2)cnn1-c1cccc(C#N)c1 ZINC000440079633 865344465 /nfs/dbraw/zinc/34/44/65/865344465.db2.gz OTCKQUBTDCVMNS-UHFFFAOYSA-N 0 0 414.509 4.383 20 30 HIEDRN CC(C)[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1nc(-c2cccnc2)no1 ZINC000440084033 865346619 /nfs/dbraw/zinc/34/66/19/865346619.db2.gz VCUDINDCHVYORD-OALUTQOASA-N 0 0 404.474 4.173 20 30 HIEDRN CCCc1c(NC(=O)c2cc(NC(C)=O)ccc2C)cnn1-c1cccc(C#N)c1 ZINC000440087195 865349956 /nfs/dbraw/zinc/34/99/56/865349956.db2.gz ITIIIAALADPTAB-UHFFFAOYSA-N 0 0 401.470 4.216 20 30 HIEDRN CCCc1c(NC(=O)c2cnc([C@H]3CCCO3)s2)cnn1-c1cccc(C#N)c1 ZINC000440089794 865351402 /nfs/dbraw/zinc/35/14/02/865351402.db2.gz SGTIDQXNJQPZNV-GOSISDBHSA-N 0 0 407.499 4.257 20 30 HIEDRN CCCc1c(NC(=O)COc2ccc(C)cc2OC)cnn1-c1cccc(C#N)c1 ZINC000440087978 865352168 /nfs/dbraw/zinc/35/21/68/865352168.db2.gz MFMIELGQHQKYEE-UHFFFAOYSA-N 0 0 404.470 4.031 20 30 HIEDRN CCCc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440093137 865356111 /nfs/dbraw/zinc/35/61/11/865356111.db2.gz AZHBTNRRBQNDIE-NHCUHLMSSA-N 0 0 400.482 4.447 20 30 HIEDRN CCCc1c(NC(=O)c2sc([C@@H](C)OC)nc2C)cnn1-c1cccc(C#N)c1 ZINC000440097136 865357078 /nfs/dbraw/zinc/35/70/78/865357078.db2.gz HJQUSFWQCIBZHW-CQSZACIVSA-N 0 0 409.515 4.421 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c(F)c1 ZINC000440097864 865358093 /nfs/dbraw/zinc/35/80/93/865358093.db2.gz NZROENBMRXSJLY-JOCQHMNTSA-N 0 0 406.244 4.005 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000440099238 865358443 /nfs/dbraw/zinc/35/84/43/865358443.db2.gz JVLKHFDKCJWPIL-UHFFFAOYSA-N 0 0 413.880 4.281 20 30 HIEDRN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000440124051 865370269 /nfs/dbraw/zinc/37/02/69/865370269.db2.gz UAYZZWFCOACXBH-GDBMZVCRSA-N 0 0 411.889 4.495 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCC2CCN(c3ccccc3)CC2)c1 ZINC000468032323 881864418 /nfs/dbraw/zinc/86/44/18/881864418.db2.gz AEOFQCLKNYDXRB-UHFFFAOYSA-N 0 0 415.493 4.377 20 30 HIEDRN C[C@H](CSCc1ccccc1)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000440146378 865379894 /nfs/dbraw/zinc/37/98/94/865379894.db2.gz PXXRBQZQQIIDJH-GOSISDBHSA-N 0 0 421.566 4.305 20 30 HIEDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)[C@@H]2C ZINC000440152241 865383940 /nfs/dbraw/zinc/38/39/40/865383940.db2.gz FDQSNFYHLIIBAY-OAHLLOKOSA-N 0 0 419.460 4.422 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000440187636 865414077 /nfs/dbraw/zinc/41/40/77/865414077.db2.gz DFEPFSBNVJSZHQ-UHFFFAOYSA-N 0 0 418.478 4.457 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000440244990 865481780 /nfs/dbraw/zinc/48/17/80/865481780.db2.gz PSHHDLRILNUQQG-SNVBAGLBSA-N 0 0 412.330 4.056 20 30 HIEDRN N#CCC[C@H](NC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000440247695 865486591 /nfs/dbraw/zinc/48/65/91/865486591.db2.gz YPACKJUHZORHSR-PXNSSMCTSA-N 0 0 419.447 4.201 20 30 HIEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000440257816 865506795 /nfs/dbraw/zinc/50/67/95/865506795.db2.gz RUEQDOAFPRMVDU-ZDUSSCGKSA-N 0 0 409.317 4.205 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)c1ccccc1 ZINC000440261535 865512401 /nfs/dbraw/zinc/51/24/01/865512401.db2.gz YNZIBRGVPNQLMQ-VXKWHMMOSA-N 0 0 404.514 4.026 20 30 HIEDRN CC#CCCCC(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000468069277 881885713 /nfs/dbraw/zinc/88/57/13/881885713.db2.gz PLGGIHFRZQASGR-QGZVFWFLSA-N 0 0 408.336 4.159 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000468080448 881891814 /nfs/dbraw/zinc/89/18/14/881891814.db2.gz WUOZPUKAWUTUIT-ZDUSSCGKSA-N 0 0 406.379 4.331 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000468080447 881892005 /nfs/dbraw/zinc/89/20/05/881892005.db2.gz WUOZPUKAWUTUIT-CYBMUJFWSA-N 0 0 406.379 4.331 20 30 HIEDRN CN(Cc1ccccc1NC(=O)c1sccc1C#N)C(=O)c1sccc1C#N ZINC000440372208 865659642 /nfs/dbraw/zinc/65/96/42/865659642.db2.gz GCRFSWRELPMABC-UHFFFAOYSA-N 0 0 406.492 4.077 20 30 HIEDRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000440400957 865693529 /nfs/dbraw/zinc/69/35/29/865693529.db2.gz CAARFTAYEPCTOR-UHFFFAOYSA-N 0 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ZINC000440665557 865860988 /nfs/dbraw/zinc/86/09/88/865860988.db2.gz ABRVDTGVIPLYPH-HWPZZCPQSA-N 0 0 414.225 4.009 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000440678847 865862736 /nfs/dbraw/zinc/86/27/36/865862736.db2.gz ZWWZTXNHGDIHCO-SFHVURJKSA-N 0 0 410.271 4.152 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000440703831 865869817 /nfs/dbraw/zinc/86/98/17/865869817.db2.gz JGRXEGNNDOCLFS-UHFFFAOYSA-N 0 0 415.419 4.284 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000440751698 865889670 /nfs/dbraw/zinc/88/96/70/865889670.db2.gz XRBBUKPIQTTZNK-SFHVURJKSA-N 0 0 419.378 4.408 20 30 HIEDRN C=CCC[C@H](NC(=O)NCC1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440761557 865895046 /nfs/dbraw/zinc/89/50/46/865895046.db2.gz GOEGLSZGPNIAHZ-IBGZPJMESA-N 0 0 411.468 4.270 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCC2)c1ccc(C(F)(F)F)cc1 ZINC000440779396 865904501 /nfs/dbraw/zinc/90/45/01/865904501.db2.gz 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417.509 4.315 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000441483703 866564801 /nfs/dbraw/zinc/56/48/01/866564801.db2.gz WORKNMSDEWBQKL-LJQANCHMSA-N 0 0 409.877 4.013 20 30 HIEDRN Cc1ccc([C@H](Cn2ccnc2)NC(=O)CSCc2ccc(C#N)cc2)c(C)c1 ZINC000441488666 866570096 /nfs/dbraw/zinc/57/00/96/866570096.db2.gz IQWIRFZQOKRFHX-QFIPXVFZSA-N 0 0 404.539 4.163 20 30 HIEDRN C=CCC[C@H](NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441530211 866605944 /nfs/dbraw/zinc/60/59/44/866605944.db2.gz DNDLIKCUEIWEEQ-ZQIUZPCESA-N 0 0 420.497 4.176 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441534485 866610188 /nfs/dbraw/zinc/61/01/88/866610188.db2.gz QCMMRKHMIXWNGZ-KRWDZBQOSA-N 0 0 409.452 4.024 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)cc1C#N ZINC000441572463 866656807 /nfs/dbraw/zinc/65/68/07/866656807.db2.gz NWJHZICZOMMCSE-KSFYIVLOSA-N 0 0 405.498 4.114 20 30 HIEDRN 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HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N(Cc3ncc[nH]3)c3cccc(F)c3)cc2)nc1 ZINC000446097725 870045553 /nfs/dbraw/zinc/04/55/53/870045553.db2.gz BBAJAWXRTUTSTB-UHFFFAOYSA-N 0 0 413.412 4.455 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1F ZINC000446160263 870100420 /nfs/dbraw/zinc/10/04/20/870100420.db2.gz DVZZZXVBOXOWBN-UHFFFAOYSA-N 0 0 401.397 4.458 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000446229581 870167248 /nfs/dbraw/zinc/16/72/48/870167248.db2.gz XUZWQRROZMUWDP-UHFFFAOYSA-N 0 0 402.401 4.066 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000446266082 870204847 /nfs/dbraw/zinc/20/48/47/870204847.db2.gz ITHVAXZFUQVNSV-UHFFFAOYSA-N 0 0 419.533 4.355 20 30 HIEDRN CC(C)(C)C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(F)(F)F ZINC000446348655 870257784 /nfs/dbraw/zinc/25/77/84/870257784.db2.gz ALISCHVUCSKFMS-UYSNPLJNSA-N 0 0 412.456 4.310 20 30 HIEDRN O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000446354290 870263688 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N#C[C@H]1N(Cc2cc3c(cc2Br)OCCCO3)CCC[C@]12CCCCO2 ZINC000447917470 871813076 /nfs/dbraw/zinc/81/30/76/871813076.db2.gz XWUXEVGCULKOEB-WOJBJXKFSA-N 0 0 421.335 4.038 20 30 HIEDRN Cc1cc(C(=O)[C@H](C)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(C)n1Cc1ccco1 ZINC000447920812 871814658 /nfs/dbraw/zinc/81/46/58/871814658.db2.gz YIEZWDUVUAIJKD-NGYIFUPDSA-N 0 0 409.530 4.245 20 30 HIEDRN N#C[C@@H]1N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CCC[C@]12CCCCO2 ZINC000447923114 871815564 /nfs/dbraw/zinc/81/55/64/871815564.db2.gz RJBNAJOPPUYGMN-QFBILLFUSA-N 0 0 406.408 4.183 20 30 HIEDRN CCOc1cc(CNc2nnc(SCc3ccc(C#N)cc3)s2)ccc1OC ZINC000447950729 871821132 /nfs/dbraw/zinc/82/11/32/871821132.db2.gz BUPKFHUSMPKYCQ-UHFFFAOYSA-N 0 0 412.540 4.721 20 30 HIEDRN Cc1cccc(-c2n[nH]cc2CNc2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000447953390 871822828 /nfs/dbraw/zinc/82/28/28/871822828.db2.gz KKYBCGCJZMAFER-UHFFFAOYSA-N 0 0 418.551 5.013 20 30 HIEDRN COc1cc2c(c(CNc3nnc(SCc4ccc(C#N)cc4)s3)c1)O[C@H](C)C2 ZINC000447953079 871823138 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HIEDRN COc1ccc(Cc2nnc(SCC#Cc3cccc(Cl)c3)o2)cc1OC ZINC000448100327 871941165 /nfs/dbraw/zinc/94/11/65/871941165.db2.gz BAEVOJHZYWGHFE-UHFFFAOYSA-N 0 0 400.887 4.475 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000448134505 872009958 /nfs/dbraw/zinc/00/99/58/872009958.db2.gz KSZSXCZJZPTSAR-QGZVFWFLSA-N 0 0 420.481 4.169 20 30 HIEDRN CCc1c(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC000448175980 872052381 /nfs/dbraw/zinc/05/23/81/872052381.db2.gz CJDVHDJGWBKRCN-UHFFFAOYSA-N 0 0 411.868 4.220 20 30 HIEDRN Cc1nnc(-c2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)n1C ZINC000448179160 872056040 /nfs/dbraw/zinc/05/60/40/872056040.db2.gz JKRUFVQYGWLZIG-UHFFFAOYSA-N 0 0 410.437 4.102 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000448209042 872105516 /nfs/dbraw/zinc/10/55/16/872105516.db2.gz NBSTYWVZQSXQJG-SFHVURJKSA-N 0 0 404.514 4.176 20 30 HIEDRN C=CCC(CC=C)C(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c21 ZINC000468544424 882584250 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872810689 /nfs/dbraw/zinc/81/06/89/872810689.db2.gz WRRQOBLFSOYBQA-QFIPXVFZSA-N 0 0 419.916 4.409 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000460237326 872825928 /nfs/dbraw/zinc/82/59/28/872825928.db2.gz MWXRQEBFOONZHM-NRFANRHFSA-N 0 0 417.513 4.031 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2COc3ccccc3O2)n1CC ZINC000460237888 872827385 /nfs/dbraw/zinc/82/73/85/872827385.db2.gz NUWGCONOZYFDLB-NRFANRHFSA-N 0 0 406.486 4.012 20 30 HIEDRN CC[C@H](Cc1cccc(Br)c1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000460260771 872850231 /nfs/dbraw/zinc/85/02/31/872850231.db2.gz DEGNQWBTSVPEHB-QGZVFWFLSA-N 0 0 401.304 4.085 20 30 HIEDRN Cc1cccnc1C(C)(C)CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000460268184 872858289 /nfs/dbraw/zinc/85/82/89/872858289.db2.gz QNOMIRNVOGIHSH-UHFFFAOYSA-N 0 0 406.530 4.229 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000460269783 872859443 /nfs/dbraw/zinc/85/94/43/872859443.db2.gz SXECCNYYGBEBLC-UHFFFAOYSA-N 0 0 423.469 4.128 20 30 HIEDRN COc1cccc(C2(CNC(=O)N(C)CCOCc3ccc(C#N)cc3)CCCC2)c1 ZINC000460277363 872865782 /nfs/dbraw/zinc/86/57/82/872865782.db2.gz RIVMVANORMNFLU-UHFFFAOYSA-N 0 0 421.541 4.237 20 30 HIEDRN N#Cc1cc(F)c(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c(F)c1 ZINC000468582278 882661371 /nfs/dbraw/zinc/66/13/71/882661371.db2.gz VWPHDGWLMFJLQZ-OAHLLOKOSA-N 0 0 420.257 4.316 20 30 HIEDRN CC[C@@H](NC(=O)N1CCN(c2snc(C)c2C#N)CC1)c1ccc(Cl)s1 ZINC000460339200 872949510 /nfs/dbraw/zinc/94/95/10/872949510.db2.gz NOHCNKDCFCABOK-CYBMUJFWSA-N 0 0 409.968 4.021 20 30 HIEDRN COCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C#N)cc1 ZINC000460345101 872963037 /nfs/dbraw/zinc/96/30/37/872963037.db2.gz DYPURUYTWQFNNX-UHFFFAOYSA-N 0 0 411.461 4.302 20 30 HIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(Br)ccc2C1 ZINC000460367541 873002452 /nfs/dbraw/zinc/00/24/52/873002452.db2.gz DVYBLSQYNIBGQO-UHFFFAOYSA-N 0 0 410.319 4.241 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000460367977 873003103 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CC(C)Cn1c(CCc2ccco2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000460594636 873333390 /nfs/dbraw/zinc/33/33/90/873333390.db2.gz BWQFMADYXJXXPM-UHFFFAOYSA-N 0 0 401.514 4.478 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2CC(C)C)CC1 ZINC000460605111 873347482 /nfs/dbraw/zinc/34/74/82/873347482.db2.gz FJWLRVXTDJKULB-UHFFFAOYSA-N 0 0 417.557 4.435 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000468609420 882715482 /nfs/dbraw/zinc/71/54/82/882715482.db2.gz GZIGBWATSLBCNI-FQEVSTJZSA-N 0 0 407.832 4.195 20 30 HIEDRN C=CCn1c(S[C@@H]2CCCN(CC(C)(C)C)C2=O)nnc1-c1ccccc1F ZINC000460655520 873397282 /nfs/dbraw/zinc/39/72/82/873397282.db2.gz ILIGQRFBIWWMCX-QGZVFWFLSA-N 0 0 402.539 4.399 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CCc4sc(Cl)cc43)CC2)nc1 ZINC000460661672 873406268 /nfs/dbraw/zinc/40/62/68/873406268.db2.gz YRKIXWVHLHDBMV-ZBCRRDGASA-N 0 0 416.934 4.345 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000460686300 873440704 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Cc1cc(-n2cncn2)ccc1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000460746208 873579634 /nfs/dbraw/zinc/57/96/34/873579634.db2.gz MHKZZVYSYAPERN-UHFFFAOYSA-N 0 0 423.476 4.473 20 30 HIEDRN N#Cc1ccc(Oc2cccc(-c3nc(CCn4nnc5ccccc54)no3)c2)cc1 ZINC000460748818 873585162 /nfs/dbraw/zinc/58/51/62/873585162.db2.gz OFXDTTKMZNVKHY-UHFFFAOYSA-N 0 0 408.421 4.388 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460751853 873589220 /nfs/dbraw/zinc/58/92/20/873589220.db2.gz BNYMLQYNNJTVJQ-UHFFFAOYSA-N 0 0 404.861 4.676 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000460752629 873591667 /nfs/dbraw/zinc/59/16/67/873591667.db2.gz NDHYFSHLQUQPMN-LJQANCHMSA-N 0 0 415.287 4.002 20 30 HIEDRN COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)C)c1 ZINC000460755064 873592586 /nfs/dbraw/zinc/59/25/86/873592586.db2.gz RFDUHKGBCICBTM-CYBMUJFWSA-N 0 0 406.328 4.111 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC000460757973 873596989 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HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1Cc1ccccc1OC ZINC000460777821 873629643 /nfs/dbraw/zinc/62/96/43/873629643.db2.gz JDNYSRJJOWYNBI-HXUWFJFHSA-N 0 0 403.530 4.445 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H]1Cc1ccccc1OC ZINC000460777820 873630105 /nfs/dbraw/zinc/63/01/05/873630105.db2.gz JDNYSRJJOWYNBI-FQEVSTJZSA-N 0 0 403.530 4.445 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CCCCO)C1CC1 ZINC000460780253 873635908 /nfs/dbraw/zinc/63/59/08/873635908.db2.gz GUAXBUCYGHRBHT-UHFFFAOYSA-N 0 0 405.340 4.025 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC000460782829 873637979 /nfs/dbraw/zinc/63/79/79/873637979.db2.gz NONUAJRRRVCBIQ-UHFFFAOYSA-N 0 0 419.529 4.125 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2cccc(Cl)c2)CC1 ZINC000460785632 873645157 /nfs/dbraw/zinc/64/51/57/873645157.db2.gz UXPPSHDIEAVCCG-UHFFFAOYSA-N 0 0 411.937 4.037 20 30 HIEDRN C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCC2(CCOCC2)CC1 ZINC000460788092 873648448 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TYPKWKMCIBNVNC-ZYHUDNBSSA-N 0 0 418.261 4.389 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000460816139 873696468 /nfs/dbraw/zinc/69/64/68/873696468.db2.gz QQEDHDICIVLGFR-LJQANCHMSA-N 0 0 412.925 4.162 20 30 HIEDRN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000460826801 873713023 /nfs/dbraw/zinc/71/30/23/873713023.db2.gz DFWSHLAXYLDEBU-IIBYNOLFSA-N 0 0 415.921 4.146 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(CNC(=O)c2cccs2)n1CC(C)C ZINC000460850553 873746928 /nfs/dbraw/zinc/74/69/28/873746928.db2.gz FVWMZODGDRYXSP-UHFFFAOYSA-N 0 0 415.588 4.180 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000468628898 882759280 /nfs/dbraw/zinc/75/92/80/882759280.db2.gz SBZPWKSFMNPNKA-ZDUSSCGKSA-N 0 0 409.408 4.150 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000460885305 873798821 /nfs/dbraw/zinc/79/88/21/873798821.db2.gz UUBBNGBAQGIFLQ-JTHBVZDNSA-N 0 0 418.459 4.358 20 30 HIEDRN 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/nfs/dbraw/zinc/83/75/70/873837570.db2.gz LTSUPSJBOMOHJU-UHFFFAOYSA-N 0 0 412.534 4.102 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460937334 873838371 /nfs/dbraw/zinc/83/83/71/873838371.db2.gz RVHFPEQJFOQVHV-UHFFFAOYSA-N 0 0 403.438 4.397 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000460937786 873838555 /nfs/dbraw/zinc/83/85/55/873838555.db2.gz IVABNPZOLVAWBY-IBGZPJMESA-N 0 0 417.513 4.337 20 30 HIEDRN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000468634146 882764269 /nfs/dbraw/zinc/76/42/69/882764269.db2.gz AOWAIXHVYKZHBW-DJKXOVBDSA-N 0 0 423.326 4.221 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000460939499 873840060 /nfs/dbraw/zinc/84/00/60/873840060.db2.gz TXAVKGZPBLAAEZ-SFHVURJKSA-N 0 0 403.534 4.140 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000460941201 873841082 /nfs/dbraw/zinc/84/10/82/873841082.db2.gz ROZZYDLKHOEQSO-WMZHIEFXSA-N 0 0 418.541 4.399 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000460940677 873841216 /nfs/dbraw/zinc/84/12/16/873841216.db2.gz ZBAOBUYFTKPHOR-PGRDOPGGSA-N 0 0 418.545 4.009 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000460940081 873841315 /nfs/dbraw/zinc/84/13/15/873841315.db2.gz PBANBAKDIPZLSL-GOSISDBHSA-N 0 0 409.559 4.472 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)c1cnn(C)c1 ZINC000460946043 873844605 /nfs/dbraw/zinc/84/46/05/873844605.db2.gz ATBKHQLXWPSAPH-KRWDZBQOSA-N 0 0 401.518 4.309 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccccc1Br ZINC000460947435 873845642 /nfs/dbraw/zinc/84/56/42/873845642.db2.gz GIRRKNZXPORRMU-CABCVRRESA-N 0 0 405.340 4.318 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1C(F)(F)Oc1ccccc1 ZINC000460947765 873845975 /nfs/dbraw/zinc/84/59/75/873845975.db2.gz SUOICDAHBOXWRT-GOSISDBHSA-N 0 0 414.460 4.058 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2cccc(F)c2C1 ZINC000460948971 873847502 /nfs/dbraw/zinc/84/75/02/873847502.db2.gz LUDRZVFXEQYZOE-UHFFFAOYSA-N 0 0 403.461 4.007 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000460949947 873848862 /nfs/dbraw/zinc/84/88/62/873848862.db2.gz NYOVKZHBDWXXKF-BDKRGJGYSA-N 0 0 410.562 4.351 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000460951072 873849896 /nfs/dbraw/zinc/84/98/96/873849896.db2.gz INAKITLJEKAGMJ-UHFFFAOYSA-N 0 0 419.529 4.026 20 30 HIEDRN C=C(C)Cn1c(Nc2ccc(OCC)cc2)nnc1-c1n[nH]c(=O)c2ccccc21 ZINC000460953009 873850995 /nfs/dbraw/zinc/85/09/95/873850995.db2.gz RKJOUNXRYZJULB-UHFFFAOYSA-N 0 0 402.458 4.312 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000460953514 873851796 /nfs/dbraw/zinc/85/17/96/873851796.db2.gz UKANEFLJAGSCHE-INIZCTEOSA-N 0 0 404.580 4.044 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000460955175 873852347 /nfs/dbraw/zinc/85/23/47/873852347.db2.gz BKRHWMATBUHDNE-NRFANRHFSA-N 0 0 419.529 4.026 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C#N)(COC)CC1 ZINC000460955182 873852420 /nfs/dbraw/zinc/85/24/20/873852420.db2.gz BNVDITAMOBUZEP-UHFFFAOYSA-N 0 0 403.889 4.070 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(C)C)CC1 ZINC000460954701 873852868 /nfs/dbraw/zinc/85/28/68/873852868.db2.gz WFXUACLQWWRXAM-FQEVSTJZSA-N 0 0 423.609 4.291 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1Cl ZINC000460956934 873854368 /nfs/dbraw/zinc/85/43/68/873854368.db2.gz DJJPGDWAXCLDBN-OAHLLOKOSA-N 0 0 410.909 4.352 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2cc(-c3ccccc3)oc2C1 ZINC000460956762 873854468 /nfs/dbraw/zinc/85/44/68/873854468.db2.gz CJHBDPTURVJRFF-GOSISDBHSA-N 0 0 422.529 4.401 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000460957099 873854543 /nfs/dbraw/zinc/85/45/43/873854543.db2.gz HJBUGWUHWNLGEX-FQEVSTJZSA-N 0 0 413.481 4.463 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000460958997 873856044 /nfs/dbraw/zinc/85/60/44/873856044.db2.gz OMRSEXAONKSUBC-UHFFFAOYSA-N 0 0 415.444 4.084 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000460959515 873856248 /nfs/dbraw/zinc/85/62/48/873856248.db2.gz KESZTJDPILFQSA-SFHVURJKSA-N 0 0 412.578 4.438 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000460962670 873859193 /nfs/dbraw/zinc/85/91/93/873859193.db2.gz LJZSXTWOZNSQJD-LPHOPBHVSA-N 0 0 423.492 4.104 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1 ZINC000461041169 873899721 /nfs/dbraw/zinc/89/97/21/873899721.db2.gz HTEOWUULXAUZOR-ZFWWWQNUSA-N 0 0 424.332 4.081 20 30 HIEDRN N#C[C@@H]1N(C(=O)Cc2cc(Cl)ccc2Br)CCC[C@@]12CCCCO2 ZINC000468638181 882773495 /nfs/dbraw/zinc/77/34/95/882773495.db2.gz KZRCWXSTSODLLO-WMZOPIPTSA-N 0 0 411.727 4.099 20 30 HIEDRN N#C[C@H]1N(C(=O)COc2ccc(OCc3ccccc3)cc2)CCC[C@@]12CCCCO2 ZINC000468638514 882773672 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ZINC000461137000 874076360 /nfs/dbraw/zinc/07/63/60/874076360.db2.gz ZVDLYOKGKVLDKP-JOCHJYFZSA-N 0 0 413.525 4.473 20 30 HIEDRN Cc1ccccc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCO1 ZINC000461137001 874076806 /nfs/dbraw/zinc/07/68/06/874076806.db2.gz ZVDLYOKGKVLDKP-QFIPXVFZSA-N 0 0 413.525 4.473 20 30 HIEDRN C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)c2ccccc21 ZINC000461137140 874077242 /nfs/dbraw/zinc/07/72/42/874077242.db2.gz ABCACVISZVRYKD-YLJYHZDGSA-N 0 0 415.497 4.163 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCO1 ZINC000461139258 874080583 /nfs/dbraw/zinc/08/05/83/874080583.db2.gz HKYIMLBHOXZTID-NRFANRHFSA-N 0 0 417.513 4.398 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCCO1)C1CC1 ZINC000461140600 874081981 /nfs/dbraw/zinc/08/19/81/874081981.db2.gz DTDBJIHCRFKVBC-LJQANCHMSA-N 0 0 412.534 4.075 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO1 ZINC000461144433 874087270 /nfs/dbraw/zinc/08/72/70/874087270.db2.gz AMWLREHOYKNLBN-HNNXBMFYSA-N 0 0 415.950 4.427 20 30 HIEDRN C[C@@H]1[C@H](c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461173512 874148538 /nfs/dbraw/zinc/14/85/38/874148538.db2.gz VPAWTSBQLGLVGW-SXSPYAJSSA-N 0 0 413.525 4.378 20 30 HIEDRN C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461177118 874153851 /nfs/dbraw/zinc/15/38/51/874153851.db2.gz ARQFRVZGUABUHF-LEOXJPRUSA-N 0 0 413.525 4.378 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C[C@@H]2CCCO2)c1 ZINC000461181681 874168144 /nfs/dbraw/zinc/16/81/44/874168144.db2.gz TUMOVTSFKIXUOV-OALUTQOASA-N 0 0 405.527 4.399 20 30 HIEDRN CO[C@H]1CCOc2c(NC(=O)c3occc3COc3cccc(C#N)c3)cccc21 ZINC000468671215 882802160 /nfs/dbraw/zinc/80/21/60/882802160.db2.gz GLHGYFDULZNSNC-FQEVSTJZSA-N 0 0 404.422 4.453 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)C3(Cc4cccs4)CCCCC3)CC2)c1C#N ZINC000461187559 874180727 /nfs/dbraw/zinc/18/07/27/874180727.db2.gz AKYQNVSKLWSUJM-UHFFFAOYSA-N 0 0 414.600 4.227 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000461210660 874212565 /nfs/dbraw/zinc/21/25/65/874212565.db2.gz HNVGCPZXDNLWDA-INIZCTEOSA-N 0 0 424.423 4.176 20 30 HIEDRN CCOCc1nc([C@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)no1 ZINC000461233107 874230554 /nfs/dbraw/zinc/23/05/54/874230554.db2.gz FYUWCWLIKTYTLL-HNNXBMFYSA-N 0 0 422.510 4.261 20 30 HIEDRN Cc1ccc(-c2nc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cs2)c(C)c1 ZINC000461285825 874291328 /nfs/dbraw/zinc/29/13/28/874291328.db2.gz QYSAFLXYSWANBX-UHFFFAOYSA-N 0 0 400.467 4.132 20 30 HIEDRN C[C@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C(=O)N1c1ccccc1 ZINC000461299966 874305251 /nfs/dbraw/zinc/30/52/51/874305251.db2.gz IIWYJXHOYMXDPP-GAJHUEQPSA-N 0 0 410.477 4.226 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)CCc2cccc(OC3CCCC3)c2)cn1 ZINC000461303936 874310411 /nfs/dbraw/zinc/31/04/11/874310411.db2.gz ACTZKWKWMCHQMX-UHFFFAOYSA-N 0 0 401.470 4.032 20 30 HIEDRN C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1cccs1)C1CC1 ZINC000461308676 874315598 /nfs/dbraw/zinc/31/55/98/874315598.db2.gz VAFYTRZHONOJIM-UHFFFAOYSA-N 0 0 404.337 4.300 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000461316051 874323556 /nfs/dbraw/zinc/32/35/56/874323556.db2.gz SDOJKTCOJQJRQO-XZOQPEGZSA-N 0 0 402.494 4.311 20 30 HIEDRN CSc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Cl)cc1Cl ZINC000461319086 874328257 /nfs/dbraw/zinc/32/82/57/874328257.db2.gz OUZCIYYFXIWQAR-UHFFFAOYSA-N 0 0 404.282 4.420 20 30 HIEDRN Cc1cc(C)n(Cc2nnc(N(CCC#N)CCC(C)C)n2Cc2cccs2)n1 ZINC000461319604 874328357 /nfs/dbraw/zinc/32/83/57/874328357.db2.gz FXUOMNOTUKAGPI-UHFFFAOYSA-N 0 0 411.579 4.016 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000468699330 882819681 /nfs/dbraw/zinc/81/96/81/882819681.db2.gz UADVBYDRPVAUSC-UHFFFAOYSA-N 0 0 404.382 4.102 20 30 HIEDRN CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)no1 ZINC000461384214 874389749 /nfs/dbraw/zinc/38/97/49/874389749.db2.gz PYHMIIBWVQPSDK-AWEZNQCLSA-N 0 0 424.432 4.289 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCOC1 ZINC000461389092 874396598 /nfs/dbraw/zinc/39/65/98/874396598.db2.gz OFMAACASYABKBR-OAQYLSRUSA-N 0 0 406.505 4.237 20 30 HIEDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccc(Cl)cc1 ZINC000461432779 874480488 /nfs/dbraw/zinc/48/04/88/874480488.db2.gz VROADZHXZRLBBD-CWVNLOTRSA-N 0 0 405.889 4.107 20 30 HIEDRN N#Cc1ccc(NCC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 ZINC000468731996 882833529 /nfs/dbraw/zinc/83/35/29/882833529.db2.gz DXCNCPZEBPVOCY-GOSISDBHSA-N 0 0 402.523 4.016 20 30 HIEDRN N#CCCN(CCC#N)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000468735807 882835170 /nfs/dbraw/zinc/83/51/70/882835170.db2.gz AEUUAXUZEDDASN-UHFFFAOYSA-N 0 0 406.273 4.022 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(Cc2cccc3ccccc32)n1C[C@H]1CCOC1 ZINC000461522535 874605285 /nfs/dbraw/zinc/60/52/85/874605285.db2.gz LARDLMLHCKPZEI-HXUWFJFHSA-N 0 0 415.541 4.189 20 30 HIEDRN CC[C@H](C)n1c(SCC(=O)Nc2nn(C(C)C)cc2C#N)nnc1-c1ccccc1 ZINC000468757344 882845184 /nfs/dbraw/zinc/84/51/84/882845184.db2.gz AEYKVCZNYQZZIH-HNNXBMFYSA-N 0 0 423.546 4.296 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1CCOC1)C1CC1 ZINC000461545373 874632752 /nfs/dbraw/zinc/63/27/52/874632752.db2.gz AMAQYDCXXBXWIB-GOSISDBHSA-N 0 0 420.513 4.308 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccccc1F)C1CCCC1 ZINC000461548844 874635645 /nfs/dbraw/zinc/63/56/45/874635645.db2.gz VDVLDGDUEITPCR-UHFFFAOYSA-N 0 0 405.477 4.265 20 30 HIEDRN C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(Cc2ccccc2)no1 ZINC000468766816 882850578 /nfs/dbraw/zinc/85/05/78/882850578.db2.gz BCLPEIRZUDBNOU-KRWDZBQOSA-N 0 0 415.497 4.416 20 30 HIEDRN C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461585455 874697281 /nfs/dbraw/zinc/69/72/81/874697281.db2.gz JARMKSHVUMODJV-SJLPKXTDSA-N 0 0 405.477 4.190 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C ZINC000468782705 882858022 /nfs/dbraw/zinc/85/80/22/882858022.db2.gz BHHZXSSSZWXGOT-UHFFFAOYSA-N 0 0 421.467 4.446 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCOC1 ZINC000461592052 874712058 /nfs/dbraw/zinc/71/20/58/874712058.db2.gz CDIJYBSDMCEQGN-GDBMZVCRSA-N 0 0 408.955 4.074 20 30 HIEDRN Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1Br ZINC000468777741 882855558 /nfs/dbraw/zinc/85/55/58/882855558.db2.gz BPDGXBNANPVYCS-UHFFFAOYSA-N 0 0 419.222 4.449 20 30 HIEDRN Cc1cc(C)c2c(c1)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@H]1CCOC1)CC2 ZINC000461608101 874745769 /nfs/dbraw/zinc/74/57/69/874745769.db2.gz XOSGZIIBCVJHOL-HXUWFJFHSA-N 0 0 413.525 4.033 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@H]2CCOC2)cc1 ZINC000461612691 874755733 /nfs/dbraw/zinc/75/57/33/874755733.db2.gz GOORBACYSIFWIV-QGZVFWFLSA-N 0 0 419.916 4.069 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)on2)c1 ZINC000468791207 882861987 /nfs/dbraw/zinc/86/19/87/882861987.db2.gz BMOMZGWGRJUOSU-QGZVFWFLSA-N 0 0 407.401 4.162 20 30 HIEDRN C[S@](=O)C[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccccc1 ZINC000461635806 874792129 /nfs/dbraw/zinc/79/21/29/874792129.db2.gz HKBBTROWWWPNEK-MNNSJKJDSA-N 0 0 404.491 4.200 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCOC1 ZINC000461634678 874792619 /nfs/dbraw/zinc/79/26/19/874792619.db2.gz WBZOLFUPGBFHMV-SFHVURJKSA-N 0 0 414.550 4.180 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@@H]2CCOC2)cc1 ZINC000461637472 874796682 /nfs/dbraw/zinc/79/66/82/874796682.db2.gz ZBFKEYDBMRCWOY-KRWDZBQOSA-N 0 0 419.916 4.069 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc(C4CCC4)n3C[C@H]3CCCCO3)CC2)cc1 ZINC000461647300 874803556 /nfs/dbraw/zinc/80/35/56/874803556.db2.gz ANAZLSPNIVEDBQ-JOCHJYFZSA-N 0 0 403.530 4.280 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)NCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000461650745 874806344 /nfs/dbraw/zinc/80/63/44/874806344.db2.gz VVAJYLBPVKSRQQ-SFHVURJKSA-N 0 0 417.431 4.114 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)n2C[C@H]2CCCCO2)c1 ZINC000461656330 874809943 /nfs/dbraw/zinc/80/99/43/874809943.db2.gz FDAFSPBZVQPLPR-ONCHXAPQSA-N 0 0 417.557 4.401 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461658727 874812270 /nfs/dbraw/zinc/81/22/70/874812270.db2.gz GQSZVLQWHVXATP-FCHUYYIVSA-N 0 0 421.545 4.067 20 30 HIEDRN CC(C)(C)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 ZINC000461673475 874823890 /nfs/dbraw/zinc/82/38/90/874823890.db2.gz KLZRDKVAZLKWGE-OAQYLSRUSA-N 0 0 405.546 4.310 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCO1 ZINC000461675051 874825271 /nfs/dbraw/zinc/82/52/71/874825271.db2.gz TWAAZQNEFDKEBT-OAQYLSRUSA-N 0 0 403.530 4.492 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1C[C@H]1CCOC1 ZINC000461679279 874829933 /nfs/dbraw/zinc/82/99/33/874829933.db2.gz CMKMOQNZKDQBAC-GOSISDBHSA-N 0 0 407.518 4.494 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000461695041 874844664 /nfs/dbraw/zinc/84/46/64/874844664.db2.gz HLFAXMLVBMTTGJ-UHFFFAOYSA-N 0 0 418.541 4.190 20 30 HIEDRN Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCOC2)c1C ZINC000461700272 874849600 /nfs/dbraw/zinc/84/96/00/874849600.db2.gz LLKFGEXQOZJKOR-PZJWPPBQSA-N 0 0 423.561 4.202 20 30 HIEDRN Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCOC2)c1C ZINC000461700268 874849738 /nfs/dbraw/zinc/84/97/38/874849738.db2.gz LLKFGEXQOZJKOR-CTNGQTDRSA-N 0 0 423.561 4.202 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCOC1 ZINC000461702328 874852620 /nfs/dbraw/zinc/85/26/20/874852620.db2.gz NTOLEJLWAICHDL-UTKZUKDTSA-N 0 0 422.554 4.245 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CC3CC3)C3CCCCC3)n2C[C@H]2CCOC2)c1 ZINC000461704326 874854428 /nfs/dbraw/zinc/85/44/28/874854428.db2.gz QHTZBIQNYDFJLG-HXUWFJFHSA-N 0 0 405.546 4.402 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC2)C2CC2)cc1 ZINC000461710075 874859036 /nfs/dbraw/zinc/85/90/36/874859036.db2.gz ZKMLOECGKLARST-OAQYLSRUSA-N 0 0 405.546 4.088 20 30 HIEDRN Cc1nc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)cc1C#N ZINC000461716715 874865477 /nfs/dbraw/zinc/86/54/77/874865477.db2.gz GCVSNTJYTXABRD-UHFFFAOYSA-N 0 0 416.234 4.309 20 30 HIEDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000468811680 882870919 /nfs/dbraw/zinc/87/09/19/882870919.db2.gz CTRMNAAZVBCOHE-LJQANCHMSA-N 0 0 403.438 4.026 20 30 HIEDRN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461724965 874872559 /nfs/dbraw/zinc/87/25/59/874872559.db2.gz GVUQJPFJQFVKSQ-UHFFFAOYSA-N 0 0 417.412 4.399 20 30 HIEDRN C=CCc1cc(CNC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)cc(OC)c1OC ZINC000468812715 882871664 /nfs/dbraw/zinc/87/16/64/882871664.db2.gz CRIBYNGAOPANPD-FQEVSTJZSA-N 0 0 420.912 4.144 20 30 HIEDRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461736070 874881992 /nfs/dbraw/zinc/88/19/92/874881992.db2.gz WXEGJUQDZOKBSE-UHFFFAOYSA-N 0 0 419.506 4.359 20 30 HIEDRN Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000461741072 874885151 /nfs/dbraw/zinc/88/51/51/874885151.db2.gz OZWDHUKXUOBFHH-UHFFFAOYSA-N 0 0 411.461 4.022 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000461742332 874886284 /nfs/dbraw/zinc/88/62/84/874886284.db2.gz IXESAYMWZABTTP-UHFFFAOYSA-N 0 0 415.497 4.384 20 30 HIEDRN COc1ccc(Nc2ccccc2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000461745925 874888500 /nfs/dbraw/zinc/88/85/00/874888500.db2.gz CVOGCYKDIYRVCH-UHFFFAOYSA-N 0 0 410.437 4.143 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cn1 ZINC000461747067 874888630 /nfs/dbraw/zinc/88/86/30/874888630.db2.gz PXDXDRUATYQVHB-UHFFFAOYSA-N 0 0 418.460 4.394 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cnccn1 ZINC000461750490 874890927 /nfs/dbraw/zinc/89/09/27/874890927.db2.gz PGRCEFGJUHSJRI-CYBMUJFWSA-N 0 0 414.922 4.002 20 30 HIEDRN Cc1ccc2nc(-c3ccc(NC(=O)C(=O)N[C@@H]4CCC[C@H]4C#N)cc3)sc2c1 ZINC000461776741 874902006 /nfs/dbraw/zinc/90/20/06/874902006.db2.gz UGPRTACNVDAILW-DOTOQJQBSA-N 0 0 404.495 4.019 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000461787821 874906086 /nfs/dbraw/zinc/90/60/86/874906086.db2.gz QKVWBCBDFVBHKQ-XJKSGUPXSA-N 0 0 424.913 4.364 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000461787818 874906472 /nfs/dbraw/zinc/90/64/72/874906472.db2.gz QKVWBCBDFVBHKQ-BBRMVZONSA-N 0 0 424.913 4.364 20 30 HIEDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 ZINC000461804963 874917934 /nfs/dbraw/zinc/91/79/34/874917934.db2.gz DVGPEUIDAAYUOM-FCHUYYIVSA-N 0 0 423.561 4.171 20 30 HIEDRN CC[C@H](C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461805881 874918178 /nfs/dbraw/zinc/91/81/78/874918178.db2.gz HEERNZJSFWWCJI-GHTZIAJQSA-N 0 0 411.550 4.170 20 30 HIEDRN CN(C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1c(F)cccc1Cl ZINC000468821651 882876657 /nfs/dbraw/zinc/87/66/57/882876657.db2.gz FBIJLAVNQWAJRS-NRFANRHFSA-N 0 0 415.896 4.023 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461808963 874924020 /nfs/dbraw/zinc/92/40/20/874924020.db2.gz HXPMEBXWTCONPC-OLMNPRSZSA-N 0 0 419.451 4.163 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(Cc2ccc3ccccc3c2)n1C[C@@H]1CCCCO1 ZINC000461812814 874928965 /nfs/dbraw/zinc/92/89/65/874928965.db2.gz VHLRAJHHSYZTOE-GCJKJVERSA-N 0 0 403.530 4.330 20 30 HIEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@@H]2CCCC[C@H]21 ZINC000461824153 874949430 /nfs/dbraw/zinc/94/94/30/874949430.db2.gz BYWDLXSSRAWMMO-KDXIVRHGSA-N 0 0 405.546 4.401 20 30 HIEDRN CCCN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461831473 874961987 /nfs/dbraw/zinc/96/19/87/874961987.db2.gz MEELACDGEIGWRS-FGZHOGPDSA-N 0 0 423.561 4.171 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(-c3ccoc3)n2C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000461833197 874966314 /nfs/dbraw/zinc/96/63/14/874966314.db2.gz OQHMRXJRLUJDPK-NRFANRHFSA-N 0 0 403.486 4.148 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461833642 874966478 /nfs/dbraw/zinc/96/64/78/874966478.db2.gz RJPHNIRYJLODMZ-ZTFGCOKTSA-N 0 0 419.451 4.163 20 30 HIEDRN CC(C)C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461854390 874999239 /nfs/dbraw/zinc/99/92/39/874999239.db2.gz MQMZFHPWPUYKMJ-RBBKRZOGSA-N 0 0 423.561 4.313 20 30 HIEDRN COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1)[C@H]1CC[C@@H](C)C1 ZINC000461854570 875000329 /nfs/dbraw/zinc/00/03/29/875000329.db2.gz RGGGUNKVFWDGDN-COPCDDAFSA-N 0 0 423.561 4.027 20 30 HIEDRN COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1)[C@@H]1CC[C@@H](C)C1 ZINC000461854572 875000936 /nfs/dbraw/zinc/00/09/36/875000936.db2.gz RGGGUNKVFWDGDN-QIJUGHKUSA-N 0 0 423.561 4.027 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCCCO1 ZINC000461858284 875006023 /nfs/dbraw/zinc/00/60/23/875006023.db2.gz VGJCYNMHBPMVMR-QWHCGFSZSA-N 0 0 424.368 4.077 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@H]1CCCCO1 ZINC000461860339 875008175 /nfs/dbraw/zinc/00/81/75/875008175.db2.gz XLEFUYPELDWROS-OAQYLSRUSA-N 0 0 421.545 4.054 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000461880688 875032610 /nfs/dbraw/zinc/03/26/10/875032610.db2.gz GQJKCCYTFDJFSS-UHFFFAOYSA-N 0 0 413.949 4.117 20 30 HIEDRN CCN(CC)C(=O)COc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000461897812 875043104 /nfs/dbraw/zinc/04/31/04/875043104.db2.gz KUJBLZLWKHUPHF-OAHLLOKOSA-N 0 0 413.905 4.201 20 30 HIEDRN CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H](C)c3cccc(C#N)c3)sc2C)s1 ZINC000461901686 875045708 /nfs/dbraw/zinc/04/57/08/875045708.db2.gz WAEODQVZQQZXHP-GFCCVEGCSA-N 0 0 424.551 4.430 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000461910505 875053509 /nfs/dbraw/zinc/05/35/09/875053509.db2.gz VQRYWVOOSMXDSL-CRAIPNDOSA-N 0 0 413.499 4.086 20 30 HIEDRN CCOc1ccc(Br)cc1CN(C(=O)N[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000461937339 875071966 /nfs/dbraw/zinc/07/19/66/875071966.db2.gz POUULRGBKRJQAA-CXAGYDPISA-N 0 0 406.324 4.214 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000461950971 875082802 /nfs/dbraw/zinc/08/28/02/875082802.db2.gz BMIJHQSDVGGTCO-DYESRHJHSA-N 0 0 413.905 4.289 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000461971185 875094855 /nfs/dbraw/zinc/09/48/55/875094855.db2.gz WTJPHHPGUKCWAU-OXJNMPFZSA-N 0 0 403.486 4.091 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000461977020 875098135 /nfs/dbraw/zinc/09/81/35/875098135.db2.gz KAXUIPDSJJKOFC-FPOVZHCZSA-N 0 0 402.498 4.022 20 30 HIEDRN Cc1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1NC(=O)c1ccco1 ZINC000461979338 875100218 /nfs/dbraw/zinc/10/02/18/875100218.db2.gz XSACQYOFRGDRFU-UHFFFAOYSA-N 0 0 416.437 4.007 20 30 HIEDRN C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1OCCCO ZINC000461986755 875106557 /nfs/dbraw/zinc/10/65/57/875106557.db2.gz UIDLASHWECTBEE-LLVKDONJSA-N 0 0 410.699 4.303 20 30 HIEDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Br)cc1OCCCO ZINC000461997249 875118951 /nfs/dbraw/zinc/11/89/51/875118951.db2.gz MAUVJUWJZVTBIU-GFCCVEGCSA-N 0 0 420.263 4.163 20 30 HIEDRN C[C@@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1cccc(C#N)c1 ZINC000462027818 875143780 /nfs/dbraw/zinc/14/37/80/875143780.db2.gz NZOFPMCLYNDIAE-LLVKDONJSA-N 0 0 413.250 4.592 20 30 HIEDRN C[C@@H](C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1cccc(C#N)c1 ZINC000462029622 875144319 /nfs/dbraw/zinc/14/43/19/875144319.db2.gz VJBSPOUDIJFHAD-GOSISDBHSA-N 0 0 414.509 4.098 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cccc(C#N)c1 ZINC000462037073 875150492 /nfs/dbraw/zinc/15/04/92/875150492.db2.gz HJORINDBWOXTGB-SFHVURJKSA-N 0 0 422.492 4.197 20 30 HIEDRN Cc1nc(C(F)(F)F)sc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000462076092 875185189 /nfs/dbraw/zinc/18/51/89/875185189.db2.gz SCOJBVSUNUVQOL-UHFFFAOYSA-N 0 0 409.433 4.462 20 30 HIEDRN CCCc1c(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cnn1-c1cccc(F)c1 ZINC000462080762 875190643 /nfs/dbraw/zinc/19/06/43/875190643.db2.gz OKLQVNRLSHLYHG-UHFFFAOYSA-N 0 0 419.460 4.131 20 30 HIEDRN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462082607 875191757 /nfs/dbraw/zinc/19/17/57/875191757.db2.gz HOMDNVDKXDWOLX-LBPRGKRZSA-N 0 0 415.284 4.198 20 30 HIEDRN CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1c2ccccc2-c2ccccc21 ZINC000462085790 875195312 /nfs/dbraw/zinc/19/53/12/875195312.db2.gz BRUQAWIWFUQSSK-UHFFFAOYSA-N 0 0 406.449 4.373 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cn1 ZINC000462087901 875196530 /nfs/dbraw/zinc/19/65/30/875196530.db2.gz ZIAFWOZAHTVXOG-FQEVSTJZSA-N 0 0 404.449 4.331 20 30 HIEDRN CCCC[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(OC)cc1 ZINC000462092008 875201648 /nfs/dbraw/zinc/20/16/48/875201648.db2.gz OPOSXDXMJWPDPP-FQEVSTJZSA-N 0 0 404.474 4.201 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[C@@H]1c1ccccc1 ZINC000462094821 875204453 /nfs/dbraw/zinc/20/44/53/875204453.db2.gz YPJFZBXYPRUEHM-UWJYYQICSA-N 0 0 400.486 4.187 20 30 HIEDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094314 875204503 /nfs/dbraw/zinc/20/45/03/875204503.db2.gz QOYOJWNCJTXQNJ-LEWJYISDSA-N 0 0 400.486 4.329 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000462094718 875204519 /nfs/dbraw/zinc/20/45/19/875204519.db2.gz BNQVUPUUIVUIKT-LJQANCHMSA-N 0 0 402.502 4.746 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCCc2cccc(-c3ccccc3)c2)cn1 ZINC000462098035 875206630 /nfs/dbraw/zinc/20/66/30/875206630.db2.gz BMTTWPYXWYWRTF-UHFFFAOYSA-N 0 0 408.465 4.170 20 30 HIEDRN CC(C)COc1ccc([C@@H](C)NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000462097215 875206972 /nfs/dbraw/zinc/20/69/72/875206972.db2.gz IUWVPQRZJDYGKT-MRXNPFEDSA-N 0 0 404.474 4.056 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCc1ccccc1Br ZINC000462097529 875207359 /nfs/dbraw/zinc/20/73/59/875207359.db2.gz QMVFOTODRYFJOJ-UHFFFAOYSA-N 0 0 421.360 4.105 20 30 HIEDRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000462097277 875207517 /nfs/dbraw/zinc/20/75/17/875207517.db2.gz JSACQUNMUWNLMR-GXTWGEPZSA-N 0 0 408.296 4.218 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)cn1 ZINC000462099252 875208146 /nfs/dbraw/zinc/20/81/46/875208146.db2.gz CEZYKHJYSOKLNZ-WIYYLYMNSA-N 0 0 400.486 4.062 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000462099712 875208157 /nfs/dbraw/zinc/20/81/57/875208157.db2.gz CVSSOLMRUYFCMC-OAQYLSRUSA-N 0 0 414.513 4.891 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000462135752 875235473 /nfs/dbraw/zinc/23/54/73/875235473.db2.gz FVTWOUNSELEDKC-UHFFFAOYSA-N 0 0 411.303 4.186 20 30 HIEDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000462145154 875242462 /nfs/dbraw/zinc/24/24/62/875242462.db2.gz VJHZJCQYEJELBW-PXAZEXFGSA-N 0 0 411.310 4.016 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)CCO2)c1 ZINC000462156136 875251458 /nfs/dbraw/zinc/25/14/58/875251458.db2.gz LKTCIWUKVIVIKJ-FCHUYYIVSA-N 0 0 419.529 4.030 20 30 HIEDRN COc1ccc([C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462175633 875274313 /nfs/dbraw/zinc/27/43/13/875274313.db2.gz LCYOJIYKBZCUNJ-PKTZIBPZSA-N 0 0 413.949 4.391 20 30 HIEDRN CSc1cccc([C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2cc(F)ccc2F)c1 ZINC000462176914 875276044 /nfs/dbraw/zinc/27/60/44/875276044.db2.gz NAUZUJVWXMUULE-YADHBBJMSA-N 0 0 417.525 4.420 20 30 HIEDRN Cc1ccccc1C[C@H](C)NC(=O)CNc1ccccc1Oc1ncccc1C#N ZINC000462209476 875317972 /nfs/dbraw/zinc/31/79/72/875317972.db2.gz OKKNOPJHUGOHJR-SFHVURJKSA-N 0 0 400.482 4.213 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCC(=O)OC(C)C ZINC000462241425 875357376 /nfs/dbraw/zinc/35/73/76/875357376.db2.gz OGANVQMUDJWWRT-UHFFFAOYSA-N 0 0 409.486 4.299 20 30 HIEDRN COC(=O)c1cc(Br)cc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000462250408 875370571 /nfs/dbraw/zinc/37/05/71/875370571.db2.gz YWWRIOHMICSCKR-QGZVFWFLSA-N 0 0 401.260 4.011 20 30 HIEDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462258140 875382445 /nfs/dbraw/zinc/38/24/45/875382445.db2.gz QRPRXEQIUHKUPD-MFSJNOQSSA-N 0 0 404.558 4.124 20 30 HIEDRN CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000462269543 875396795 /nfs/dbraw/zinc/39/67/95/875396795.db2.gz GOGOVPUWFUQIQY-FGZHOGPDSA-N 0 0 421.541 4.133 20 30 HIEDRN CCC(CC)CN(CCC#N)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462269762 875398269 /nfs/dbraw/zinc/39/82/69/875398269.db2.gz HJSRPPSLIFSANN-UHFFFAOYSA-N 0 0 408.955 4.175 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000462272718 875399692 /nfs/dbraw/zinc/39/96/92/875399692.db2.gz PMDVMXJXMPZCQJ-REWPJTCUSA-N 0 0 405.498 4.411 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)s1 ZINC000462300379 875421087 /nfs/dbraw/zinc/42/10/87/875421087.db2.gz STZGHOXYVWTQTC-UHFFFAOYSA-N 0 0 401.340 4.495 20 30 HIEDRN COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000462304571 875426227 /nfs/dbraw/zinc/42/62/27/875426227.db2.gz DYOQNUFCKYQILU-NRFANRHFSA-N 0 0 412.898 4.288 20 30 HIEDRN CC#CCCSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000462380165 875493362 /nfs/dbraw/zinc/49/33/62/875493362.db2.gz NEHUDKKWICVPCV-UHFFFAOYSA-N 0 0 406.502 4.360 20 30 HIEDRN COc1ccc(Cl)cc1C1(CNc2c(C#N)cnc3ccccc32)CCOCC1 ZINC000462387924 875499474 /nfs/dbraw/zinc/49/94/74/875499474.db2.gz IVIQIDOXYVZHBI-UHFFFAOYSA-N 0 0 407.901 4.351 20 30 HIEDRN O=C([C@H]1CCCN1CC(F)(F)F)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000462400525 875508794 /nfs/dbraw/zinc/50/87/94/875508794.db2.gz FHSJFXQGXNTCJG-ZBFHGGJFSA-N 0 0 412.349 4.129 20 30 HIEDRN Cc1c(NC(=O)[C@@H](C)c2cccc(C#N)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000462422803 875529438 /nfs/dbraw/zinc/52/94/38/875529438.db2.gz PVOSYFFPESJLGF-ZDUSSCGKSA-N 0 0 413.403 4.268 20 30 HIEDRN C[C@@H](C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc(C#N)c1 ZINC000462460473 875566770 /nfs/dbraw/zinc/56/67/70/875566770.db2.gz SAQSHSRMRCXUQV-CYBMUJFWSA-N 0 0 414.387 4.133 20 30 HIEDRN COc1cc(CNC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)ccc1C#N ZINC000462480137 875588327 /nfs/dbraw/zinc/58/83/27/875588327.db2.gz JPEDRNAMTIQFSD-IBGZPJMESA-N 0 0 417.469 4.054 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468897883 882946991 /nfs/dbraw/zinc/94/69/91/882946991.db2.gz IFNRXVUYGSHWQL-LLVKDONJSA-N 0 0 417.391 4.080 20 30 HIEDRN CCN(Cc1cccc(-c2ccncc2)c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000462502621 875617931 /nfs/dbraw/zinc/61/79/31/875617931.db2.gz PKAPPSWLTUAHEM-UHFFFAOYSA-N 0 0 411.914 4.484 20 30 HIEDRN CCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000462505938 875622068 /nfs/dbraw/zinc/62/20/68/875622068.db2.gz RGGVNPLSZZASRX-UHFFFAOYSA-N 0 0 413.724 4.185 20 30 HIEDRN Cn1c2ccc(C(=O)N[C@H](C#N)c3cccc(Br)c3)cc2nc1C(F)F ZINC000462535059 875653106 /nfs/dbraw/zinc/65/31/06/875653106.db2.gz DOBBLIYPTTYBGC-CQSZACIVSA-N 0 0 419.229 4.268 20 30 HIEDRN COc1ccccc1-n1ncc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1C ZINC000462543617 875663960 /nfs/dbraw/zinc/66/39/60/875663960.db2.gz AYAVUWQZZUDQBM-QGZVFWFLSA-N 0 0 414.387 4.203 20 30 HIEDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462544748 875667087 /nfs/dbraw/zinc/66/70/87/875667087.db2.gz BKNKRRNPXREFEI-KRWDZBQOSA-N 0 0 407.514 4.314 20 30 HIEDRN C=CCN(Cc1ccn(-c2ccc(F)cc2)n1)S(=O)(=O)c1cccc(Cl)c1 ZINC000462548948 875673020 /nfs/dbraw/zinc/67/30/20/875673020.db2.gz CXXSFXUYTSNJCI-UHFFFAOYSA-N 0 0 405.882 4.042 20 30 HIEDRN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000462577452 875699175 /nfs/dbraw/zinc/69/91/75/875699175.db2.gz MQIYSXHWCSJHTD-JTSKRJEESA-N 0 0 410.539 4.208 20 30 HIEDRN CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000462587671 875705780 /nfs/dbraw/zinc/70/57/80/875705780.db2.gz FAPMSQMEXDFKSQ-YIILKADPSA-N 0 0 401.432 4.031 20 30 HIEDRN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000462588505 875707121 /nfs/dbraw/zinc/70/71/21/875707121.db2.gz FHMJZKJSVPQXLM-GGAORHGYSA-N 0 0 424.566 4.454 20 30 HIEDRN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000462588507 875707289 /nfs/dbraw/zinc/70/72/89/875707289.db2.gz FHMJZKJSVPQXLM-JTHBVZDNSA-N 0 0 424.566 4.454 20 30 HIEDRN COc1ccc([C@H](NS(=O)(=O)CCCCC#N)c2ccccc2Cl)c(OC)c1 ZINC000462590712 875708695 /nfs/dbraw/zinc/70/86/95/875708695.db2.gz IMHUUHKHNAEIHX-HXUWFJFHSA-N 0 0 422.934 4.060 20 30 HIEDRN C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)Sc1ccccc1 ZINC000462604969 875718605 /nfs/dbraw/zinc/71/86/05/875718605.db2.gz GIROJVGNGNBHSL-LBPRGKRZSA-N 0 0 400.447 4.036 20 30 HIEDRN CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468902868 882957586 /nfs/dbraw/zinc/95/75/86/882957586.db2.gz GOBCKMDEFJZMHH-KRWDZBQOSA-N 0 0 420.513 4.107 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCc3ccc(C(F)F)cc3)n2)c(Cl)c1 ZINC000462704692 875789382 /nfs/dbraw/zinc/78/93/82/875789382.db2.gz OBJJDQODCVSQCB-UHFFFAOYSA-N 0 0 401.804 4.657 20 30 HIEDRN CCN(c1ccccc1)c1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000462706103 875791158 /nfs/dbraw/zinc/79/11/58/875791158.db2.gz RBQDFHHWNBMPCL-UHFFFAOYSA-N 0 0 405.523 4.336 20 30 HIEDRN C[C@H](c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1)c1cccc(C#N)c1 ZINC000462828605 875864675 /nfs/dbraw/zinc/86/46/75/875864675.db2.gz OTBZVRXONWPMIA-NSHDSACASA-N 0 0 422.293 4.374 20 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ZINC000463056874 876085162 /nfs/dbraw/zinc/08/51/62/876085162.db2.gz GSJNNRLZVRJZJN-DEOSSOPVSA-N 0 0 420.534 4.013 20 30 HIEDRN C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1)c1cccc(C#N)c1 ZINC000463058561 876085949 /nfs/dbraw/zinc/08/59/49/876085949.db2.gz VOMGHXNEXXJXBI-LLVKDONJSA-N 0 0 413.231 4.355 20 30 HIEDRN C[C@H](c1nc(CC(=O)Nc2ccccc2Br)no1)c1cccc(C#N)c1 ZINC000463062063 876090876 /nfs/dbraw/zinc/09/08/76/876090876.db2.gz UPNJLRALLLWKFP-LBPRGKRZSA-N 0 0 411.259 4.037 20 30 HIEDRN N#Cc1ccc(Cl)cc1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000463080372 876112480 /nfs/dbraw/zinc/11/24/80/876112480.db2.gz YASNKIGBRXBZEB-UHFFFAOYSA-N 0 0 409.964 4.102 20 30 HIEDRN C=CCOCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000463092190 876124616 /nfs/dbraw/zinc/12/46/16/876124616.db2.gz JTPAAODUWJDFTJ-CALCHBBNSA-N 0 0 418.534 4.028 20 30 HIEDRN CCN(C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000463136782 876186566 /nfs/dbraw/zinc/18/65/66/876186566.db2.gz 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C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)cn2C(C)C)cc1 ZINC000463357322 876410258 /nfs/dbraw/zinc/41/02/58/876410258.db2.gz LOMCJYHVIGXOIK-UHFFFAOYSA-N 0 0 405.296 4.391 20 30 HIEDRN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000463398853 876452737 /nfs/dbraw/zinc/45/27/37/876452737.db2.gz QXILUBLXOFNGCL-UHFFFAOYSA-N 0 0 415.375 4.216 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCn2c(cc3ccccc32)C1 ZINC000463414937 876468437 /nfs/dbraw/zinc/46/84/37/876468437.db2.gz HCRBHRYSYIEUTM-QGZVFWFLSA-N 0 0 404.539 4.347 20 30 HIEDRN Cc1oc(NC(=O)[C@H](C)N(C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463420731 876475859 /nfs/dbraw/zinc/47/58/59/876475859.db2.gz WCHJEIJFZWLTPR-ZDUSSCGKSA-N 0 0 404.308 4.032 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H](c3ccc(F)cc3)C(C)C)C2)n1 ZINC000468968803 883035168 /nfs/dbraw/zinc/03/51/68/883035168.db2.gz OEEBKIMSAPLAHV-IRLDBZIGSA-N 0 0 408.521 4.473 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Br)cn1 ZINC000463446909 876506921 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COC(=O)c1cc(Br)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000463569388 876660990 /nfs/dbraw/zinc/66/09/90/876660990.db2.gz MMNOPPNGAVCIAV-UHFFFAOYSA-N 0 0 417.259 4.147 20 30 HIEDRN C[C@H](NC(=O)c1c(Cl)cccc1I)c1ccc(C#N)cc1 ZINC000463574640 876669406 /nfs/dbraw/zinc/66/94/06/876669406.db2.gz AIWOOYUZDHTBBZ-JTQLQIEISA-N 0 0 410.642 4.307 20 30 HIEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000468990142 883056981 /nfs/dbraw/zinc/05/69/81/883056981.db2.gz OEYHAELXOQJZDI-UHFFFAOYSA-N 0 0 403.442 4.318 20 30 HIEDRN CC[C@@H](C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(N)=O)cc1 ZINC000463606132 876725823 /nfs/dbraw/zinc/72/58/23/876725823.db2.gz PKWDRYZFRWFITP-MRXNPFEDSA-N 0 0 417.465 4.274 20 30 HIEDRN COC(=O)c1occc1CN(C(=O)[C@H](C)c1cccc(C#N)c1)[C@H](C)c1ccccn1 ZINC000463606981 876727474 /nfs/dbraw/zinc/72/74/74/876727474.db2.gz RWNFSKBYGXKYPU-IAGOWNOFSA-N 0 0 417.465 4.226 20 30 HIEDRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)N(CCC#N)Cc1ccco1 ZINC000463620474 876739368 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/nfs/dbraw/zinc/32/63/78/877326378.db2.gz DYXFXAZCOGFLTQ-GOSISDBHSA-N 0 0 416.477 4.343 20 30 HIEDRN CC(C)(C)[C@](C)(C#N)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000464165965 877333521 /nfs/dbraw/zinc/33/35/21/877333521.db2.gz GJKYONPHGBERHS-KRWDZBQOSA-N 0 0 410.261 4.145 20 30 HIEDRN CCC[C@H]1[C@H](C)CCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000464186477 877357159 /nfs/dbraw/zinc/35/71/59/877357159.db2.gz AUKLMWNJOKOIPE-APWZRJJASA-N 0 0 410.518 4.450 20 30 HIEDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000464234730 877410135 /nfs/dbraw/zinc/41/01/35/877410135.db2.gz KNXUOIBBQDYWED-HRAATJIYSA-N 0 0 414.502 4.126 20 30 HIEDRN N#Cc1ccccc1OCC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000464239365 877416316 /nfs/dbraw/zinc/41/63/16/877416316.db2.gz UZEXGJQEXICDQU-KRWDZBQOSA-N 0 0 407.470 4.393 20 30 HIEDRN CN(Cc1nccn1Cc1ccccc1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000464276241 877462614 /nfs/dbraw/zinc/46/26/14/877462614.db2.gz BBXBYLALEHNCBA-UHFFFAOYSA-N 0 0 402.498 4.011 20 30 HIEDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000464292978 877480556 /nfs/dbraw/zinc/48/05/56/877480556.db2.gz WRTYGEQZURYAAD-PGRDOPGGSA-N 0 0 407.489 4.462 20 30 HIEDRN CC(C)[C@H](C#N)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000464305681 877496191 /nfs/dbraw/zinc/49/61/91/877496191.db2.gz KGOBKBZUROWPJP-KRWDZBQOSA-N 0 0 419.403 4.001 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)NCc1cccc(-c2cccnc2)c1 ZINC000464313013 877504916 /nfs/dbraw/zinc/50/49/16/877504916.db2.gz SRAZHAHFGZWTFM-UHFFFAOYSA-N 0 0 402.523 4.353 20 30 HIEDRN CN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464389160 877590686 /nfs/dbraw/zinc/59/06/86/877590686.db2.gz XXQSKQUVJOYARD-HIEASXQVSA-N 0 0 424.467 4.406 20 30 HIEDRN COC(C)(C)c1nc(C)c(C(=O)N[C@H](C#N)c2cccc(Br)c2)s1 ZINC000464408133 877611077 /nfs/dbraw/zinc/61/10/77/877611077.db2.gz RTBPGXSOFVCOLX-CYBMUJFWSA-N 0 0 408.321 4.090 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCc1ccc(F)cc1Cl ZINC000503272445 912255244 /nfs/dbraw/zinc/25/52/44/912255244.db2.gz CLVXLZFNIRIXFJ-ZDUSSCGKSA-N 0 0 419.909 4.028 20 30 HIEDRN N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464408749 877613463 /nfs/dbraw/zinc/61/34/63/877613463.db2.gz RYVGPYXPNVTPSR-QGZVFWFLSA-N 0 0 410.355 4.238 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1cccc(Br)c1 ZINC000464409666 877614781 /nfs/dbraw/zinc/61/47/81/877614781.db2.gz VZOXRENEHJHOCZ-RHSMWYFYSA-N 0 0 418.722 4.310 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000503272479 912255473 /nfs/dbraw/zinc/25/54/73/912255473.db2.gz ZKPABPCYLCDXHJ-UHFFFAOYSA-N 0 0 411.465 4.167 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464418638 877627090 /nfs/dbraw/zinc/62/70/90/877627090.db2.gz HHCOISZMEXFOJX-JTQLQIEISA-N 0 0 401.247 4.100 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(COc3ccccc3F)on2)c1 ZINC000464435164 877648021 /nfs/dbraw/zinc/64/80/21/877648021.db2.gz CKXKBNHVTTYPSP-UHFFFAOYSA-N 0 0 403.316 4.118 20 30 HIEDRN COc1ccc([C@@H](NC(=O)c2ccc(C#N)nc2)c2ccccc2Cl)c(OC)c1 ZINC000464551289 877767483 /nfs/dbraw/zinc/76/74/83/877767483.db2.gz SWNVMAKCQIGAEM-NRFANRHFSA-N 0 0 407.857 4.143 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(COc2ccccc2F)on1 ZINC000464558272 877775251 /nfs/dbraw/zinc/77/52/51/877775251.db2.gz POMOODRRDMZJMD-UHFFFAOYSA-N 0 0 413.408 4.440 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000464609695 877837828 /nfs/dbraw/zinc/83/78/28/877837828.db2.gz OFOXCOYWNXBMQF-JKSUJKDBSA-N 0 0 405.523 4.457 20 30 HIEDRN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(C#N)c(F)c1 ZINC000464638987 877856537 /nfs/dbraw/zinc/85/65/37/877856537.db2.gz RZQKEUXHGYTUPV-UHFFFAOYSA-N 0 0 417.366 4.095 20 30 HIEDRN CCc1ccc(-c2nc(CC(=O)Nc3ccccc3-n3cnc(C#N)n3)cs2)cc1 ZINC000464642334 877860769 /nfs/dbraw/zinc/86/07/69/877860769.db2.gz KPFNRJSCWMYJDQ-UHFFFAOYSA-N 0 0 414.494 4.006 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2csc(-c3ccc(Cl)s3)n2)n1 ZINC000464644655 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HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)n1 ZINC000464651953 877872147 /nfs/dbraw/zinc/87/21/47/877872147.db2.gz GFYGCRXNOUWQHL-UHFFFAOYSA-N 0 0 417.375 4.462 20 30 HIEDRN CC(C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000464671330 877890326 /nfs/dbraw/zinc/89/03/26/877890326.db2.gz UJWBQCNGKDJESC-LJQANCHMSA-N 0 0 411.889 4.129 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)CCCOc2cccc(Cl)c2Cl)n1 ZINC000464685089 877899794 /nfs/dbraw/zinc/89/97/94/877899794.db2.gz VQYINLNROHRCAO-UHFFFAOYSA-N 0 0 416.268 4.243 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1C#N ZINC000464709070 877932125 /nfs/dbraw/zinc/93/21/25/877932125.db2.gz LUQZEKYCWXSDBS-LBPRGKRZSA-N 0 0 411.531 4.474 20 30 HIEDRN CC(C)(C)[C@H](C#N)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000464709527 877932419 /nfs/dbraw/zinc/93/24/19/877932419.db2.gz LFHINJQLOUTDQP-KRWDZBQOSA-N 0 0 415.335 4.182 20 30 HIEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000464709528 877932738 /nfs/dbraw/zinc/93/27/38/877932738.db2.gz LFHINJQLOUTDQP-QGZVFWFLSA-N 0 0 415.335 4.182 20 30 HIEDRN CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000464710632 877934448 /nfs/dbraw/zinc/93/44/48/877934448.db2.gz MYUSSPXNKIRZTI-GIWBLDEGSA-N 0 0 403.526 4.221 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000464716022 877942426 /nfs/dbraw/zinc/94/24/26/877942426.db2.gz YSRAMMUMWISCSX-UHFFFAOYSA-N 0 0 421.403 4.220 20 30 HIEDRN CC(C)(C)[C@@H](C#N)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000464717185 877944459 /nfs/dbraw/zinc/94/44/59/877944459.db2.gz XKXIWFNOQRZVGH-MRXNPFEDSA-N 0 0 401.536 4.190 20 30 HIEDRN CC(C)(C)[C@H](C#N)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000464717181 877944805 /nfs/dbraw/zinc/94/48/05/877944805.db2.gz XKXIWFNOQRZVGH-INIZCTEOSA-N 0 0 401.536 4.190 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000503325890 912304771 /nfs/dbraw/zinc/30/47/71/912304771.db2.gz PFRFUQPZUPGRFL-HXUWFJFHSA-N 0 0 413.905 4.405 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(-c2nc(CC(=O)NC3CCCC3)no2)cc1 ZINC000464791602 878038049 /nfs/dbraw/zinc/03/80/49/878038049.db2.gz HTQRIEOMYACQIZ-UHFFFAOYSA-N 0 0 402.454 4.310 20 30 HIEDRN N#CCN1CCC(CNC(=O)[C@H](Sc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000464797013 878041555 /nfs/dbraw/zinc/04/15/55/878041555.db2.gz DBAFOJHSQLSXLT-OAQYLSRUSA-N 0 0 415.509 4.150 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000464801868 878044587 /nfs/dbraw/zinc/04/45/87/878044587.db2.gz KAGFDTNHCBOOJD-UHFFFAOYSA-N 0 0 413.433 4.267 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000464819549 878073629 /nfs/dbraw/zinc/07/36/29/878073629.db2.gz CCJJKPMWJIAKJR-NHCUHLMSSA-N 0 0 402.523 4.181 20 30 HIEDRN COc1cc(NC(=O)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)cc1Cl ZINC000464821687 878074432 /nfs/dbraw/zinc/07/44/32/878074432.db2.gz JGXGNTBTISSIKN-VQIMIIECSA-N 0 0 413.905 4.067 20 30 HIEDRN C=CCn1c(S[C@H]2CCN(c3ccccc3OC)C2=O)nnc1-c1cccc(C)c1 ZINC000464834475 878095885 /nfs/dbraw/zinc/09/58/85/878095885.db2.gz HDCUVSGBEKWQPV-FQEVSTJZSA-N 0 0 420.538 4.346 20 30 HIEDRN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)CO1 ZINC000464836222 878098046 /nfs/dbraw/zinc/09/80/46/878098046.db2.gz VZLIWCOBUIBHFH-OXQOHEQNSA-N 0 0 409.555 4.289 20 30 HIEDRN COC(=O)COc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 ZINC000464864915 878148400 /nfs/dbraw/zinc/14/84/00/878148400.db2.gz TYDNVWSHIZVLQY-UHFFFAOYSA-N 0 0 416.433 4.463 20 30 HIEDRN Cc1cccc(Oc2cc(CNC(=O)[C@H](C)Oc3ccccc3C#N)ccn2)c1C ZINC000464888154 878187516 /nfs/dbraw/zinc/18/75/16/878187516.db2.gz OXHCEBPPGHUSNF-SFHVURJKSA-N 0 0 401.466 4.446 20 30 HIEDRN CCC[C@]1(C)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000464899336 878207988 /nfs/dbraw/zinc/20/79/88/878207988.db2.gz STYWUVFPYNXCFS-JOCHJYFZSA-N 0 0 409.490 4.414 20 30 HIEDRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000464915858 878235947 /nfs/dbraw/zinc/23/59/47/878235947.db2.gz IZYDWVYTMPIEJL-OXQOHEQNSA-N 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C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000472601022 887472879 /nfs/dbraw/zinc/47/28/79/887472879.db2.gz RCZOSYHHQILDJA-UHFFFAOYSA-N 0 0 408.546 4.368 20 30 HIEDRN C[C@@H](NC(=O)c1cccc(CC#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000472669134 887523723 /nfs/dbraw/zinc/52/37/23/887523723.db2.gz KGTGGXKYTNOUIO-GFCCVEGCSA-N 0 0 411.259 4.056 20 30 HIEDRN N#CC1(CS(=O)(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CCCC1 ZINC000472697573 887549933 /nfs/dbraw/zinc/54/99/33/887549933.db2.gz HPFUTAVKUMCBRZ-INIZCTEOSA-N 0 0 418.506 4.209 20 30 HIEDRN CC[C@H](NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCOCC1 ZINC000472711037 887561196 /nfs/dbraw/zinc/56/11/96/887561196.db2.gz CLGUUJPQWJECEC-INIZCTEOSA-N 0 0 417.560 4.029 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000472806386 887650560 /nfs/dbraw/zinc/65/05/60/887650560.db2.gz BMNUSFLPNYZUSE-UHFFFAOYSA-N 0 0 405.267 4.132 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCCC3(CCC3)C2)cc1 ZINC000472810270 887654153 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HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000472852708 887707206 /nfs/dbraw/zinc/70/72/06/887707206.db2.gz PSEJFMTUEOLDBD-UHFFFAOYSA-N 0 0 423.257 4.271 20 30 HIEDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000504336059 913176124 /nfs/dbraw/zinc/17/61/24/913176124.db2.gz JKYSLABAUZLZTF-UHFFFAOYSA-N 0 0 416.412 4.322 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000472941187 887790135 /nfs/dbraw/zinc/79/01/35/887790135.db2.gz OOMDWWYVGGLHSB-UHFFFAOYSA-N 0 0 401.466 4.417 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000504346419 913181872 /nfs/dbraw/zinc/18/18/72/913181872.db2.gz VUIPWJXDCFIOQT-UHFFFAOYSA-N 0 0 409.486 4.323 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000504344575 913181965 /nfs/dbraw/zinc/18/19/65/913181965.db2.gz GZWVYMZBFUEWSJ-UHFFFAOYSA-N 0 0 408.473 4.004 20 30 HIEDRN CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc(C(F)(F)F)c1 ZINC000473078974 887895696 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HIEDRN Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000473278711 888035842 /nfs/dbraw/zinc/03/58/42/888035842.db2.gz UANRQTXMTBMAKO-UHFFFAOYSA-N 0 0 413.477 4.043 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1c(F)cccc1F ZINC000473375689 888092758 /nfs/dbraw/zinc/09/27/58/888092758.db2.gz FFQNKEXMJXFFNU-CHWSQXEVSA-N 0 0 403.454 4.032 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCc2ccc(Cl)cc2Cl)cc1 ZINC000473428133 888149795 /nfs/dbraw/zinc/14/97/95/888149795.db2.gz MGBYYWKBKMWZKH-UHFFFAOYSA-N 0 0 418.324 4.482 20 30 HIEDRN CCn1ncc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1-c1ccccc1 ZINC000473431230 888152597 /nfs/dbraw/zinc/15/25/97/888152597.db2.gz GMMSBTGIZKBWHT-UHFFFAOYSA-N 0 0 400.482 4.125 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000473462187 888184800 /nfs/dbraw/zinc/18/48/00/888184800.db2.gz ODVUNCNJUALFKK-MRXNPFEDSA-N 0 0 420.296 4.108 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 ZINC000473478815 888202080 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N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000473581857 888323272 /nfs/dbraw/zinc/32/32/72/888323272.db2.gz JECURCOMCAHQBF-GOSISDBHSA-N 0 0 410.251 4.294 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000473581728 888323391 /nfs/dbraw/zinc/32/33/91/888323391.db2.gz ISYKWMHQOQFCLS-RUZDIDTESA-N 0 0 403.526 4.443 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000473584194 888326421 /nfs/dbraw/zinc/32/64/21/888326421.db2.gz VFTSTDDZCRLSFK-SFHVURJKSA-N 0 0 407.823 4.381 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000504420283 913234484 /nfs/dbraw/zinc/23/44/84/913234484.db2.gz VYPOYJAUTCBODK-VXKWHMMOSA-N 0 0 402.498 4.060 20 30 HIEDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000473610826 888351639 /nfs/dbraw/zinc/35/16/39/888351639.db2.gz NILKWQMNJYFHCR-JNFKXCBWSA-N 0 0 407.442 4.122 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@]4(CCCOC4)C3)c2)c1 ZINC000473616008 888355885 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889562725 /nfs/dbraw/zinc/56/27/25/889562725.db2.gz JSPBSVPMXPNDJW-UHFFFAOYSA-N 0 0 414.224 4.304 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)NCCCCc2ccc(F)c(F)c2)CC1 ZINC000474771400 889629463 /nfs/dbraw/zinc/62/94/63/889629463.db2.gz HQJSMNZPRSCURN-UHFFFAOYSA-N 0 0 412.484 4.081 20 30 HIEDRN CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2)c1C ZINC000474777372 889634179 /nfs/dbraw/zinc/63/41/79/889634179.db2.gz RJHYSGANLXIGSM-LJQANCHMSA-N 0 0 416.481 4.384 20 30 HIEDRN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000474785099 889642115 /nfs/dbraw/zinc/64/21/15/889642115.db2.gz QDDRYMZKRFFWHI-CJNGLKHVSA-N 0 0 420.307 4.144 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000504613379 913369140 /nfs/dbraw/zinc/36/91/40/913369140.db2.gz RNHDXEUCVBUFCH-SFHVURJKSA-N 0 0 414.937 4.070 20 30 HIEDRN Cc1csc(NC2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)n1 ZINC000474814895 889668108 /nfs/dbraw/zinc/66/81/08/889668108.db2.gz HHCKSPWJDONHNV-UHFFFAOYSA-N 0 0 419.510 4.227 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000474823703 889678036 /nfs/dbraw/zinc/67/80/36/889678036.db2.gz WMYLTYMLAGMAFI-UHFFFAOYSA-N 0 0 417.517 4.347 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000474857514 889713039 /nfs/dbraw/zinc/71/30/39/889713039.db2.gz HUUJXECPANYBJK-UHFFFAOYSA-N 0 0 417.517 4.274 20 30 HIEDRN N#Cc1ccc(CSc2ccccc2C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000474868305 889722728 /nfs/dbraw/zinc/72/27/28/889722728.db2.gz KUEVHFVCEBXFQZ-FQEVSTJZSA-N 0 0 420.456 4.380 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2cccnc2)cc1 ZINC000474869179 889723284 /nfs/dbraw/zinc/72/32/84/889723284.db2.gz MUINBVOQNIFMIQ-AWEZNQCLSA-N 0 0 404.857 4.090 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000474913283 889774065 /nfs/dbraw/zinc/77/40/65/889774065.db2.gz XYWABGRKGDIVMH-RTBURBONSA-N 0 0 405.542 4.027 20 30 HIEDRN Cc1ccc(NC(=O)N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1Cl ZINC000474952077 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889946159 /nfs/dbraw/zinc/94/61/59/889946159.db2.gz CRMUXHOCZSOKPB-SFHVURJKSA-N 0 0 400.320 4.483 20 30 HIEDRN COc1cc(NCC(=O)Nc2ccccc2SCC#N)ccc1Br ZINC000475159267 890023731 /nfs/dbraw/zinc/02/37/31/890023731.db2.gz PPZLVYBPWYEDQR-UHFFFAOYSA-N 0 0 406.305 4.124 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NCc3ccc(Cl)cc3-n3cncn3)ccc21 ZINC000475205114 890073998 /nfs/dbraw/zinc/07/39/98/890073998.db2.gz QDOFFRYCUHMEAS-UHFFFAOYSA-N 0 0 420.904 4.116 20 30 HIEDRN CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)sc2C1 ZINC000475222433 890091931 /nfs/dbraw/zinc/09/19/31/890091931.db2.gz ASFBLKKLFLZLEU-BEFAXECRSA-N 0 0 422.554 4.049 20 30 HIEDRN CCC[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)sc2C1 ZINC000475222436 890092215 /nfs/dbraw/zinc/09/22/15/890092215.db2.gz ASFBLKKLFLZLEU-KXBFYZLASA-N 0 0 422.554 4.049 20 30 HIEDRN COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c(OC(F)F)c1 ZINC000475250377 890137299 /nfs/dbraw/zinc/13/72/99/890137299.db2.gz YWHIFHYRXXJWEH-UHFFFAOYSA-N 0 0 414.330 4.373 20 30 HIEDRN Cc1nc(CC2CC2)oc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000475254857 890144581 /nfs/dbraw/zinc/14/45/81/890144581.db2.gz LBAQRODTIBFZAD-UHFFFAOYSA-N 0 0 400.438 4.312 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000475264129 890156788 /nfs/dbraw/zinc/15/67/88/890156788.db2.gz KDQFFSDGNIGEQQ-UHFFFAOYSA-N 0 0 411.571 4.471 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCc1ccc2ccccc2n1 ZINC000475285843 890185399 /nfs/dbraw/zinc/18/53/99/890185399.db2.gz NUBYOTNQKASSJE-UHFFFAOYSA-N 0 0 401.510 4.384 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000475285666 890186318 /nfs/dbraw/zinc/18/63/18/890186318.db2.gz ZVIVPWZTSKOTJE-GOSISDBHSA-N 0 0 410.518 4.251 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000475299226 890205790 /nfs/dbraw/zinc/20/57/90/890205790.db2.gz QIJXSIQWOCLKOP-WIYYLYMNSA-N 0 0 400.563 4.435 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000475299224 890207038 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892333374 /nfs/dbraw/zinc/33/33/74/892333374.db2.gz IQFDKROPXBFADY-UHFFFAOYSA-N 0 0 420.332 4.030 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000477376223 892337930 /nfs/dbraw/zinc/33/79/30/892337930.db2.gz UJKGTAIOHQBZOX-QFIPXVFZSA-N 0 0 419.912 4.019 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000477442127 892392765 /nfs/dbraw/zinc/39/27/65/892392765.db2.gz HFFKWXNDCJURIF-ZOCIIQOWSA-N 0 0 418.463 4.464 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cn(CC(C)C)nc1C(F)F ZINC000477453533 892411422 /nfs/dbraw/zinc/41/14/22/892411422.db2.gz FBGJLQTZTOPEEE-OAHLLOKOSA-N 0 0 419.476 4.233 20 30 HIEDRN C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)C(=O)N1Cc2ccccc2C1 ZINC000477479481 892468369 /nfs/dbraw/zinc/46/83/69/892468369.db2.gz MCNRCBLJHBRMSY-KRWDZBQOSA-N 0 0 411.461 4.011 20 30 HIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000477537252 892569834 /nfs/dbraw/zinc/56/98/34/892569834.db2.gz QRRKJAJAKHPXJF-LJQANCHMSA-N 0 0 403.530 4.218 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1(c2cccc(F)c2)CCOCC1 ZINC000477550569 892595024 /nfs/dbraw/zinc/59/50/24/892595024.db2.gz IQWFOTJGIOGPCA-UHFFFAOYSA-N 0 0 405.391 4.061 20 30 HIEDRN CC(C)c1cccc(CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000477574238 892638424 /nfs/dbraw/zinc/63/84/24/892638424.db2.gz SIBSRZWDVUBVDX-UHFFFAOYSA-N 0 0 404.495 4.060 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000477579557 892644833 /nfs/dbraw/zinc/64/48/33/892644833.db2.gz NTCRAVMIOZZZHR-UHFFFAOYSA-N 0 0 417.481 4.048 20 30 HIEDRN C[C@@H]1CCCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 ZINC000477588553 892660973 /nfs/dbraw/zinc/66/09/73/892660973.db2.gz HQPHSDAPYBCYRF-CYBMUJFWSA-N 0 0 413.465 4.298 20 30 HIEDRN C[C@H]1CCCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 ZINC000477588555 892662462 /nfs/dbraw/zinc/66/24/62/892662462.db2.gz HQPHSDAPYBCYRF-ZDUSSCGKSA-N 0 0 413.465 4.298 20 30 HIEDRN C=CCN(C(=O)Cc1csc(CC)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000512380337 921118035 /nfs/dbraw/zinc/11/80/35/921118035.db2.gz ZWYKZQSDDJDHIO-UHFFFAOYSA-N 0 0 414.512 4.499 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cccc2c1CN(CCC)C2)c1ccc(F)c(F)c1 ZINC000477640221 892762944 /nfs/dbraw/zinc/76/29/44/892762944.db2.gz UBQOXEHWFVAIAP-NRFANRHFSA-N 0 0 413.468 4.063 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1 ZINC000477667052 892802155 /nfs/dbraw/zinc/80/21/55/892802155.db2.gz NSXJETOSAHZNRR-HXUWFJFHSA-N 0 0 424.451 4.139 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000477669900 892803677 /nfs/dbraw/zinc/80/36/77/892803677.db2.gz QLSYDSKZVDOYBF-KRWDZBQOSA-N 0 0 412.358 4.442 20 30 HIEDRN Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(F)c(I)c3)nc21 ZINC000477679940 892807109 /nfs/dbraw/zinc/80/71/09/892807109.db2.gz KYSXUZDGIMUNGH-LLVKDONJSA-N 0 0 419.197 4.105 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CO)cc1 ZINC000477686034 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CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000478811059 894085675 /nfs/dbraw/zinc/08/56/75/894085675.db2.gz ICWGEZHKKZJWHD-IBGZPJMESA-N 0 0 419.506 4.186 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1S[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000478880834 894158909 /nfs/dbraw/zinc/15/89/09/894158909.db2.gz CFGPHMDKJGXDLT-MRXNPFEDSA-N 0 0 415.515 4.071 20 30 HIEDRN C[C@H](CC#N)N(C)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000505147713 913842448 /nfs/dbraw/zinc/84/24/48/913842448.db2.gz CMDXGIRAMKSESK-CQSZACIVSA-N 0 0 419.403 4.097 20 30 HIEDRN Cc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1NC(=O)c1ccc(Br)cc1 ZINC000505148507 913842500 /nfs/dbraw/zinc/84/25/00/913842500.db2.gz JJLVTFPQQNQWIB-CQSZACIVSA-N 0 0 414.303 4.384 20 30 HIEDRN C=C(C)[C@@H](NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccc(F)c(F)c1 ZINC000478907408 894188101 /nfs/dbraw/zinc/18/81/01/894188101.db2.gz CFPMRZREUCYQME-QGZVFWFLSA-N 0 0 415.465 4.038 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c2ccccc21 ZINC000505150107 913844834 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C=CCNc1nnc(S(=O)(=O)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)s1 ZINC000479021652 894286960 /nfs/dbraw/zinc/28/69/60/894286960.db2.gz CVGOJKJYJICBRR-LLVKDONJSA-N 0 0 424.935 4.288 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000479042548 894303250 /nfs/dbraw/zinc/30/32/50/894303250.db2.gz KLIDVMVMIINBGY-QGZVFWFLSA-N 0 0 421.925 4.039 20 30 HIEDRN COc1ccc(-c2cc(C(=O)N(CCC#N)CC3CC3)nn2-c2ccccc2)cc1 ZINC000505169116 913858113 /nfs/dbraw/zinc/85/81/13/913858113.db2.gz HYGPTSXDCNTETA-UHFFFAOYSA-N 0 0 400.482 4.314 20 30 HIEDRN Cc1sc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)nc1C(C)C ZINC000479080700 894345935 /nfs/dbraw/zinc/34/59/35/894345935.db2.gz NJPOIQMGXVLCTI-CYBMUJFWSA-N 0 0 416.572 4.082 20 30 HIEDRN O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F ZINC000479082068 894347652 /nfs/dbraw/zinc/34/76/52/894347652.db2.gz SGZANYQSJZLGGT-UHFFFAOYSA-N 0 0 413.236 4.310 20 30 HIEDRN Cc1sc2ncnc(SCCC(=O)N(CCC#N)Cc3ccccn3)c2c1C ZINC000505175167 913862990 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HIEDRN C=C(C)Cn1c(SCC(=O)N[C@H]2CCc3c2cccc3OC)nnc1-c1ccco1 ZINC000481868712 897238632 /nfs/dbraw/zinc/23/86/32/897238632.db2.gz CROCOWLVLJFNJR-KRWDZBQOSA-N 0 0 424.526 4.019 20 30 HIEDRN Cc1cc(C(=O)N(C)Cc2ccccc2Br)nn1-c1cccc(C#N)c1 ZINC000505464186 914134534 /nfs/dbraw/zinc/13/45/34/914134534.db2.gz ITYGOUUOAVLSJB-UHFFFAOYSA-N 0 0 409.287 4.087 20 30 HIEDRN C=C(C)CCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O ZINC000505469003 914141540 /nfs/dbraw/zinc/14/15/40/914141540.db2.gz YKESOCOIRYHCLT-UHFFFAOYSA-N 0 0 422.550 4.206 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC[C@@H](C)Cc2cccs2)nnc1-c1ccco1 ZINC000481888580 897263471 /nfs/dbraw/zinc/26/34/71/897263471.db2.gz FOEYUBIYSRBIGY-HNNXBMFYSA-N 0 0 416.572 4.263 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2c2nc(C34CC5CC(CC(C5)C3)C4)no2)c1 ZINC000481897911 897275111 /nfs/dbraw/zinc/27/51/11/897275111.db2.gz UCPRMGVIYQCNCQ-LOXVZWDBSA-N 0 0 402.498 4.273 20 30 HIEDRN Cc1cc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)ccc1C1CC1 ZINC000481898533 897276796 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CN(Cc1cscn1)Cc1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000482139066 897596843 /nfs/dbraw/zinc/59/68/43/897596843.db2.gz PBPQRCSGHRGTRI-UHFFFAOYSA-N 0 0 420.538 4.443 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000482148310 897610849 /nfs/dbraw/zinc/61/08/49/897610849.db2.gz ZPTWBFOZXSLCTQ-UHFFFAOYSA-N 0 0 418.453 4.194 20 30 HIEDRN C[C@H](O)[C@@](C)(CNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000482177646 897645970 /nfs/dbraw/zinc/64/59/70/897645970.db2.gz KDOCITWYVLYFAT-AVRWGWEMSA-N 0 0 418.493 4.090 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1 ZINC000482209294 897688061 /nfs/dbraw/zinc/68/80/61/897688061.db2.gz KJMDXKPKWUDIHL-FUHWJXTLSA-N 0 0 409.452 4.198 20 30 HIEDRN C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000482208695 897688166 /nfs/dbraw/zinc/68/81/66/897688166.db2.gz KDDBTJZJOKSPJR-UHFFFAOYSA-N 0 0 412.433 4.154 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1 ZINC000482209296 897688542 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20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F ZINC000482417409 897965406 /nfs/dbraw/zinc/96/54/06/897965406.db2.gz RMPOVSQXROJJLS-QGZVFWFLSA-N 0 0 410.392 4.110 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)nnc1-c1ccco1 ZINC000482420463 897972163 /nfs/dbraw/zinc/97/21/63/897972163.db2.gz AGQCGNATLBVLNB-OXQOHEQNSA-N 0 0 408.527 4.426 20 30 HIEDRN C=CCOC[C@@H](NCc1ccc(-c2ccccc2Br)s1)C(=O)OC ZINC000482435516 897994821 /nfs/dbraw/zinc/99/48/21/897994821.db2.gz HUTVQPQOOSKWLK-MRXNPFEDSA-N 0 0 410.333 4.011 20 30 HIEDRN O=C(N[C@H](CO)c1cccc(F)c1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000482437022 897996369 /nfs/dbraw/zinc/99/63/69/897996369.db2.gz OMDXRABDQTYRHH-CABCVRRESA-N 0 0 424.316 4.481 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc(OC)c1OC ZINC000505518514 914210330 /nfs/dbraw/zinc/21/03/30/914210330.db2.gz DUVKEHFHQUHDMD-HKBOAZHASA-N 0 0 416.477 4.350 20 30 HIEDRN COc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1SC 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406.438 4.242 20 30 HIEDRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1=O ZINC000505532373 914228121 /nfs/dbraw/zinc/22/81/21/914228121.db2.gz KEASMYFJRNOJBD-QIIPPGSGSA-N 0 0 416.308 4.284 20 30 HIEDRN N#C[C@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1c(Cl)cccc1Cl ZINC000505540515 914235380 /nfs/dbraw/zinc/23/53/80/914235380.db2.gz OYQNTFHPUPWTFP-HNNXBMFYSA-N 0 0 423.687 4.171 20 30 HIEDRN N#C[C@H](NC(=O)C(=O)c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000505539297 914235702 /nfs/dbraw/zinc/23/57/02/914235702.db2.gz GJCZWVKMAPYSHA-ZDUSSCGKSA-N 0 0 412.070 4.320 20 30 HIEDRN N#C[C@@H](NC(=O)CCCc1ccc2c(c1)CC(=O)N2)c1c(Cl)cccc1Cl ZINC000505539107 914235723 /nfs/dbraw/zinc/23/57/23/914235723.db2.gz FHQXDKIZLOVMKI-QGZVFWFLSA-N 0 0 402.281 4.192 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000482688617 898289144 /nfs/dbraw/zinc/28/91/44/898289144.db2.gz CYEVILDPJXKDCD-UHFFFAOYSA-N 0 0 400.525 4.005 20 30 HIEDRN CCc1ccnc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)c1 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/nfs/dbraw/zinc/58/34/57/900583457.db2.gz VAMVDKBIZIOFNQ-UHFFFAOYSA-N 0 0 402.429 4.373 20 30 HIEDRN COc1cc(CN(C)CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccccc1 ZINC000485316912 900596547 /nfs/dbraw/zinc/59/65/47/900596547.db2.gz QVHWXXXJEZPGSK-UHFFFAOYSA-N 0 0 421.541 4.049 20 30 HIEDRN CCc1c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1-c1ccccc1C ZINC000485326361 900609797 /nfs/dbraw/zinc/60/97/97/900609797.db2.gz AQHGLHUCCRTQGP-QHCPKHFHSA-N 0 0 415.497 4.220 20 30 HIEDRN N#C[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccc(Cl)cc1 ZINC000505797104 914460732 /nfs/dbraw/zinc/46/07/32/914460732.db2.gz SMMBJKFZXGSVKD-MRXNPFEDSA-N 0 0 403.663 4.259 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1ccc(Cl)cc1 ZINC000505796457 914460806 /nfs/dbraw/zinc/46/08/06/914460806.db2.gz OXQYVPXDGMZGOV-SFHVURJKSA-N 0 0 409.898 4.326 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C4=NNC(=O)CC4)cc3)c2)cc1 ZINC000485338459 900626787 /nfs/dbraw/zinc/62/67/87/900626787.db2.gz RNEKYRZMRCOKGX-UHFFFAOYSA-N 0 0 424.460 4.004 20 30 HIEDRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c12 ZINC000505798287 914463172 /nfs/dbraw/zinc/46/31/72/914463172.db2.gz ZQGNBMBCHYLREM-HXUWFJFHSA-N 0 0 401.514 4.446 20 30 HIEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000485382378 900678464 /nfs/dbraw/zinc/67/84/64/900678464.db2.gz KAVGHOIBDRVDBS-LLVKDONJSA-N 0 0 409.795 4.389 20 30 HIEDRN C=CCNC(=O)c1ccc(N2CCC[C@H]2c2ccc(Br)c(F)c2)nc1 ZINC000485400726 900698988 /nfs/dbraw/zinc/69/89/88/900698988.db2.gz CSAQIIAGLZVATE-KRWDZBQOSA-N 0 0 404.283 4.241 20 30 HIEDRN N#C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 ZINC000505810141 914469662 /nfs/dbraw/zinc/46/96/62/914469662.db2.gz WVIOHBKGUUOEEI-KRWDZBQOSA-N 0 0 415.678 4.283 20 30 HIEDRN N#C[C@H](NC(=O)c1csc(I)c1)c1ccc(Cl)cc1 ZINC000505813728 914473391 /nfs/dbraw/zinc/47/33/91/914473391.db2.gz COPPKVBHFGNJNX-NSHDSACASA-N 0 0 402.644 4.001 20 30 HIEDRN CCc1ccc(C(=O)N2CCC(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)CC2)o1 ZINC000505818821 914475923 /nfs/dbraw/zinc/47/59/23/914475923.db2.gz CMBCNFKXUOFQOV-OAQYLSRUSA-N 0 0 421.541 4.373 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(c2ccsc2)CC1 ZINC000485497174 900787049 /nfs/dbraw/zinc/78/70/49/900787049.db2.gz WVPCHSDIQOAQKS-OAHLLOKOSA-N 0 0 413.568 4.487 20 30 HIEDRN C=CCSc1ccccc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000485503134 900792248 /nfs/dbraw/zinc/79/22/48/900792248.db2.gz GUJFSRVLTLGJHR-FXAWDEMLSA-N 0 0 400.931 4.320 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 ZINC000505821190 914477475 /nfs/dbraw/zinc/47/74/75/914477475.db2.gz NTFYRGUKBIONSW-QGZVFWFLSA-N 0 0 422.510 4.209 20 30 HIEDRN Cc1noc([C@H]2CCCN2C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n1 ZINC000485523756 900806173 /nfs/dbraw/zinc/80/61/73/900806173.db2.gz CACVELIZCLVAPC-QGZVFWFLSA-N 0 0 419.489 4.102 20 30 HIEDRN COc1ccc(-c2noc(CCCC(=O)N[C@@H](C#N)c3ccc(Cl)cc3)n2)cc1 ZINC000505833890 914487058 /nfs/dbraw/zinc/48/70/58/914487058.db2.gz RDHHFHNAXLLATB-SFHVURJKSA-N 0 0 410.861 4.102 20 30 HIEDRN C[C@@H]1CCCN(c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)ccn2)C1 ZINC000485645612 900897551 /nfs/dbraw/zinc/89/75/51/900897551.db2.gz VNRBXIDLJRTJTL-RDTXWAMCSA-N 0 0 413.319 4.075 20 30 HIEDRN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000505835341 914488275 /nfs/dbraw/zinc/48/82/75/914488275.db2.gz WLGQNJKUICMQPC-SFTDATJTSA-N 0 0 409.505 4.259 20 30 HIEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)cc1 ZINC000505835175 914488391 /nfs/dbraw/zinc/48/83/91/914488391.db2.gz VUQBNAXZGLVLAF-SQJMNOBHSA-N 0 0 403.526 4.360 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4ccccc4c(=O)o3)c2)c1 ZINC000485663703 900914676 /nfs/dbraw/zinc/91/46/76/900914676.db2.gz LMXJWUJQNYTZBV-UHFFFAOYSA-N 0 0 409.401 4.169 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000505836740 914489705 /nfs/dbraw/zinc/48/97/05/914489705.db2.gz CTEGVGFNNJDIHW-PBHICJAKSA-N 0 0 422.838 4.351 20 30 HIEDRN C=C[C@@H](CC(=O)N1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1 ZINC000505840917 914493475 /nfs/dbraw/zinc/49/34/75/914493475.db2.gz RUZRPYXVUAWCGC-PKOBYXMFSA-N 0 0 421.463 4.322 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)cc1 ZINC000485754786 901011764 /nfs/dbraw/zinc/01/17/64/901011764.db2.gz NATANTTYXGSYFD-MRXNPFEDSA-N 0 0 411.527 4.107 20 30 HIEDRN C[C@](O)(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CCC1 ZINC000485804984 901055628 /nfs/dbraw/zinc/05/56/28/901055628.db2.gz SBSXPVUSIHHSIP-GOSISDBHSA-N 0 0 409.433 4.114 20 30 HIEDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)CCCC4)C2)cc1 ZINC000505855822 914502648 /nfs/dbraw/zinc/50/26/48/914502648.db2.gz FRYAGIPECVNMRL-QGZVFWFLSA-N 0 0 407.539 4.298 20 30 HIEDRN COc1cc(C#N)ccc1OCc1nc(-c2cccc(Br)c2C)no1 ZINC000485876767 901113052 /nfs/dbraw/zinc/11/30/52/901113052.db2.gz VRNUOQYOGCWRLA-UHFFFAOYSA-N 0 0 400.232 4.267 20 30 HIEDRN CC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1cc(F)cc(Br)c1 ZINC000485919768 901145251 /nfs/dbraw/zinc/14/52/51/901145251.db2.gz HNIYGYGAORJREA-KRWDZBQOSA-N 0 0 411.296 4.031 20 30 HIEDRN CNC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)nc1 ZINC000485927527 901152529 /nfs/dbraw/zinc/15/25/29/901152529.db2.gz TXLWEIGOUXVXPN-UHFFFAOYSA-N 0 0 406.829 4.011 20 30 HIEDRN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc2ncsc2c1 ZINC000485949487 901169866 /nfs/dbraw/zinc/16/98/66/901169866.db2.gz FZXUTSOFKSXQKA-SNVBAGLBSA-N 0 0 411.430 4.226 20 30 HIEDRN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc2ncsc2c1 ZINC000485949486 901170150 /nfs/dbraw/zinc/17/01/50/901170150.db2.gz FZXUTSOFKSXQKA-JTQLQIEISA-N 0 0 411.430 4.226 20 30 HIEDRN C=CCn1c(SCc2ccn(-c3ccc(F)cc3F)n2)nnc1-c1ccncc1 ZINC000486000515 901216816 /nfs/dbraw/zinc/21/68/16/901216816.db2.gz GLDJQLUCSRHIGY-UHFFFAOYSA-N 0 0 410.453 4.282 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCc1ccn(-c2ccc(F)cc2F)n1 ZINC000486008657 901220262 /nfs/dbraw/zinc/22/02/62/901220262.db2.gz VPLWHHIZKXLWLT-UHFFFAOYSA-N 0 0 416.478 4.400 20 30 HIEDRN C=CCn1c(=O)c2c3c(sc2nc1SCCCOCC(F)(F)F)CCC3 ZINC000505871350 914518998 /nfs/dbraw/zinc/51/89/98/914518998.db2.gz CCTBLZASIHAKNY-UHFFFAOYSA-N 0 0 404.479 4.194 20 30 HIEDRN N#Cc1ccc(SCC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000486097781 901285452 /nfs/dbraw/zinc/28/54/52/901285452.db2.gz QWYCPZKSIKQARM-GOSISDBHSA-N 0 0 417.328 4.013 20 30 HIEDRN COc1cc(C#N)cc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c1 ZINC000486108130 901294787 /nfs/dbraw/zinc/29/47/87/901294787.db2.gz JJTVJOSOCKBNLD-QFIPXVFZSA-N 0 0 415.449 4.225 20 30 HIEDRN N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(C(F)F)CC1)CCCC2 ZINC000486151157 901338664 /nfs/dbraw/zinc/33/86/64/901338664.db2.gz WQYNQCIOENLIDI-UHFFFAOYSA-N 0 0 412.484 4.143 20 30 HIEDRN N#Cc1ccc(-n2ccc(NCc3ccn(-c4ccc(F)cc4F)n3)n2)c(Cl)c1 ZINC000486210428 901393522 /nfs/dbraw/zinc/39/35/22/901393522.db2.gz BQUQIBSEQVWPHH-UHFFFAOYSA-N 0 0 410.815 4.473 20 30 HIEDRN CCNC(=O)C1(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CCC1 ZINC000486228818 901411580 /nfs/dbraw/zinc/41/15/80/901411580.db2.gz IOXFWJYSJUJSBH-IBGZPJMESA-N 0 0 424.932 4.423 20 30 HIEDRN C=CCSc1ccccc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000486253623 901436325 /nfs/dbraw/zinc/43/63/25/901436325.db2.gz IBHAULPTZNFMAL-KRWDZBQOSA-N 0 0 409.555 4.322 20 30 HIEDRN N#CCCN(C(=O)c1csc(-c2ccccc2F)n1)c1ccc2c(c1)OCCO2 ZINC000486299136 901479416 /nfs/dbraw/zinc/47/94/16/901479416.db2.gz OGLRLBGBQJYZFF-UHFFFAOYSA-N 0 0 409.442 4.281 20 30 HIEDRN Cc1cc(Br)cc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000486315484 901493557 /nfs/dbraw/zinc/49/35/57/901493557.db2.gz KBCWBZSBJWIFBP-UHFFFAOYSA-N 0 0 417.282 4.122 20 30 HIEDRN Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000486360551 901529788 /nfs/dbraw/zinc/52/97/88/901529788.db2.gz NKMYUYPDYLZCJJ-UHFFFAOYSA-N 0 0 419.794 4.431 20 30 HIEDRN C=CCn1nnnc1S[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000505902118 914544600 /nfs/dbraw/zinc/54/46/00/914544600.db2.gz ACNSDKFBBHZDSK-MRXNPFEDSA-N 0 0 419.432 4.350 20 30 HIEDRN CSc1cccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000486410892 901569989 /nfs/dbraw/zinc/56/99/89/901569989.db2.gz SGPSNHMEPAGCEF-ZDUSSCGKSA-N 0 0 406.261 4.074 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000486418078 901576439 /nfs/dbraw/zinc/57/64/39/901576439.db2.gz KQIKFGPXVXEQBS-FBBABVLZSA-N 0 0 401.551 4.270 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 ZINC000486418054 901576490 /nfs/dbraw/zinc/57/64/90/901576490.db2.gz KLPNDOKVSNYYND-UHFFFAOYSA-N 0 0 407.499 4.079 20 30 HIEDRN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000486427188 901585435 /nfs/dbraw/zinc/58/54/35/901585435.db2.gz ATCDJHWHRDPZDF-DEOSSOPVSA-N 0 0 413.477 4.243 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2NC(=O)CNc2ccccc2SCCC#N)n[nH]1 ZINC000486430347 901590149 /nfs/dbraw/zinc/59/01/49/901590149.db2.gz ADSKMTQBRNAVDF-UHFFFAOYSA-N 0 0 406.515 4.145 20 30 HIEDRN O=C(Cc1ccc(F)cc1Br)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000486435853 901594781 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HIEDRN COc1ccc(Br)c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC000505966597 914627946 /nfs/dbraw/zinc/62/79/46/914627946.db2.gz SPQAKUPFMSUKEF-HNNXBMFYSA-N 0 0 413.193 4.471 20 30 HIEDRN N#Cc1ccc(NC(=O)NCCCCOCCc2ccccc2)cc1Br ZINC000487962179 902488480 /nfs/dbraw/zinc/48/84/80/902488480.db2.gz XOYNQBXLAQBVFK-UHFFFAOYSA-N 0 0 416.319 4.482 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000487962219 902488643 /nfs/dbraw/zinc/48/86/43/902488643.db2.gz YEGHOMMGXNBIIY-UHFFFAOYSA-N 0 0 409.627 4.204 20 30 HIEDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487965359 902490345 /nfs/dbraw/zinc/49/03/45/902490345.db2.gz FDRIUZJGUFJYJA-XELLLNAOSA-N 0 0 420.332 4.283 20 30 HIEDRN COCCN(CCc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487971177 902498034 /nfs/dbraw/zinc/49/80/34/902498034.db2.gz UVXSJTRIQQBUBT-UHFFFAOYSA-N 0 0 402.292 4.044 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1Br ZINC000487984794 902508867 /nfs/dbraw/zinc/50/88/67/902508867.db2.gz PNLILIOPTGGPMY-UHFFFAOYSA-N 0 0 412.287 4.448 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)c(F)c1 ZINC000505969772 914632239 /nfs/dbraw/zinc/63/22/39/914632239.db2.gz DDMBAYDGCZODHZ-UHFFFAOYSA-N 0 0 407.367 4.451 20 30 HIEDRN N#Cc1ccc(NC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1Br ZINC000487998640 902521083 /nfs/dbraw/zinc/52/10/83/902521083.db2.gz ZEHHRJBCKCKEJB-GOSISDBHSA-N 0 0 414.303 4.186 20 30 HIEDRN Cc1ccc(-n2cnc3c2CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C3)cc1 ZINC000488004686 902525032 /nfs/dbraw/zinc/52/50/32/902525032.db2.gz AYNQDJACZXXAKA-MRXNPFEDSA-N 0 0 419.916 4.091 20 30 HIEDRN O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000488015891 902537035 /nfs/dbraw/zinc/53/70/35/902537035.db2.gz SMCYFEYSBNPLPH-UHFFFAOYSA-N 0 0 406.229 4.389 20 30 HIEDRN N#C[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000505972538 914634813 /nfs/dbraw/zinc/63/48/13/914634813.db2.gz YAFUCKUDHFQKFB-SFHVURJKSA-N 0 0 406.379 4.274 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1ccc(C#N)cc1 ZINC000488029174 902548153 /nfs/dbraw/zinc/54/81/53/902548153.db2.gz RTLWTLADXHTZTB-IAGOWNOFSA-N 0 0 404.514 4.035 20 30 HIEDRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505976653 914638341 /nfs/dbraw/zinc/63/83/41/914638341.db2.gz NGABVEYKIQQWJH-WOJBJXKFSA-N 0 0 416.308 4.210 20 30 HIEDRN Cc1ccc([C@@H](C)NC(=O)c2occc2COc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000488080997 902588100 /nfs/dbraw/zinc/58/81/00/902588100.db2.gz MUXHMRKPUPZBRY-OAHLLOKOSA-N 0 0 405.410 4.438 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCN(c4c(C#N)cnc5ccccc54)CC3)c2c1 ZINC000488090874 902594893 /nfs/dbraw/zinc/59/48/93/902594893.db2.gz BDMDNKILHSXPCY-UHFFFAOYSA-N 0 0 404.477 4.161 20 30 HIEDRN N#C[C@@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000505977138 914641305 /nfs/dbraw/zinc/64/13/05/914641305.db2.gz QSXSWLYQKOJLMY-QGZVFWFLSA-N 0 0 423.822 4.250 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](OCc4ccccn4)C3)cc2)cc1 ZINC000488102357 902605665 /nfs/dbraw/zinc/60/56/65/902605665.db2.gz PBOMXPVMBVXLPK-DEOSSOPVSA-N 0 0 413.477 4.371 20 30 HIEDRN COC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000488103429 902606611 /nfs/dbraw/zinc/60/66/11/902606611.db2.gz RWVMFSHOCLXHJU-GOSISDBHSA-N 0 0 403.935 4.128 20 30 HIEDRN CN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CCSc2ccc(Br)cc21 ZINC000505977346 914641405 /nfs/dbraw/zinc/64/14/05/914641405.db2.gz SCPAEYZUUNLYSZ-KRWDZBQOSA-N 0 0 416.344 4.428 20 30 HIEDRN CC[C@H](C(=O)N1CCC(Nc2c(C#N)cnc3ccc(C)cc32)CC1)c1ccccc1 ZINC000488107392 902609699 /nfs/dbraw/zinc/60/96/99/902609699.db2.gz GNELBMVPMWOTRQ-QFIPXVFZSA-N 0 0 412.537 4.434 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)on2)c1 ZINC000505979797 914642461 /nfs/dbraw/zinc/64/24/61/914642461.db2.gz VMRJYPTZWCZREV-UHFFFAOYSA-N 0 0 412.371 4.343 20 30 HIEDRN C[C@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000488130518 902628530 /nfs/dbraw/zinc/62/85/30/902628530.db2.gz DVHXJHHBBFSUQF-JXFKEZNVSA-N 0 0 402.416 4.229 20 30 HIEDRN CCNC(=O)c1cccc(NC(=O)CNc2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000488144819 902639505 /nfs/dbraw/zinc/63/95/05/902639505.db2.gz WLBVOGHOKUVVJU-UHFFFAOYSA-N 0 0 414.465 4.151 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(COC2CCOCC2)c1 ZINC000488156427 902650422 /nfs/dbraw/zinc/65/04/22/902650422.db2.gz YOHULVRLYUBHST-UHFFFAOYSA-N 0 0 417.427 4.183 20 30 HIEDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488164367 902657550 /nfs/dbraw/zinc/65/75/50/902657550.db2.gz GOEGCVZSZHVYFX-LJAQVGFWSA-N 0 0 404.491 4.360 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1C ZINC000488238551 902713819 /nfs/dbraw/zinc/71/38/19/902713819.db2.gz XFROWHABJYGUFF-UHFFFAOYSA-N 0 0 409.829 4.381 20 30 HIEDRN O=C(CN[C@@H](c1ccc(F)cc1)C(F)(F)F)N(Cc1ccco1)CC(F)(F)F ZINC000488245965 902720104 /nfs/dbraw/zinc/72/01/04/902720104.db2.gz CQYGZTQGWMFVIR-HNNXBMFYSA-N 0 0 412.305 4.203 20 30 HIEDRN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc(-c2ccncc2)cs1 ZINC000488257051 902730560 /nfs/dbraw/zinc/73/05/60/902730560.db2.gz YMJXWTSKYIMUGG-HNNXBMFYSA-N 0 0 419.510 4.063 20 30 HIEDRN N#Cc1c(F)cccc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000488258747 902731528 /nfs/dbraw/zinc/73/15/28/902731528.db2.gz FYFBWKDKNNLYAB-UHFFFAOYSA-N 0 0 407.518 4.225 20 30 HIEDRN C=CCn1c(SCCN2CCc3ccccc32)nnc1[C@@H]1COc2ccccc2O1 ZINC000488288062 902751391 /nfs/dbraw/zinc/75/13/91/902751391.db2.gz CFCRZJGDEDGZNA-NRFANRHFSA-N 0 0 420.538 4.131 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488293556 902755602 /nfs/dbraw/zinc/75/56/02/902755602.db2.gz JMJVIVVZIVPJIZ-RCZVLFRGSA-N 0 0 423.516 4.263 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccccc3NCc3ccco3)C2)c(F)c1 ZINC000488358139 902780898 /nfs/dbraw/zinc/78/08/98/902780898.db2.gz HOVPRMZRYSCXKV-GOSISDBHSA-N 0 0 418.472 4.301 20 30 HIEDRN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000488386787 902797266 /nfs/dbraw/zinc/79/72/66/902797266.db2.gz MVURRTKXHOTUAU-UHFFFAOYSA-N 0 0 421.478 4.500 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000488461460 902836274 /nfs/dbraw/zinc/83/62/74/902836274.db2.gz UDOFNGPKLACFSA-QHCPKHFHSA-N 0 0 413.477 4.479 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000488462726 902837731 /nfs/dbraw/zinc/83/77/31/902837731.db2.gz XTJSXOAESCDQOS-KBPBESRZSA-N 0 0 401.919 4.408 20 30 HIEDRN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCc4cc(Cl)cc(Cl)c43)C2=O)cc1 ZINC000488475097 902844304 /nfs/dbraw/zinc/84/43/04/902844304.db2.gz ZIKIISKNFRBNLJ-OALUTQOASA-N 0 0 400.309 4.243 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc1C(F)(F)F ZINC000488500653 902857729 /nfs/dbraw/zinc/85/77/29/902857729.db2.gz DQDDFKLUBMYSAE-AWEZNQCLSA-N 0 0 408.355 4.186 20 30 HIEDRN Cc1cnc(C(C)(C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1 ZINC000505999210 914669324 /nfs/dbraw/zinc/66/93/24/914669324.db2.gz ZONUELHTANCDPD-UHFFFAOYSA-N 0 0 420.494 4.106 20 30 HIEDRN CCN(C[C@H](C)C#N)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000488664685 902928725 /nfs/dbraw/zinc/92/87/25/902928725.db2.gz BGPJMGVXARJABF-JXXFODFXSA-N 0 0 412.921 4.481 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000488677375 902939367 /nfs/dbraw/zinc/93/93/67/902939367.db2.gz ZDCDICCNYVBJFT-UHFFFAOYSA-N 0 0 411.483 4.033 20 30 HIEDRN O=C(C[S@@](=O)Cc1cc(F)c(C(F)(F)F)cc1F)Nc1cc(F)ccc1F ZINC000488738216 902974113 /nfs/dbraw/zinc/97/41/13/902974113.db2.gz ISWJIVLVFGCVRU-MHZLTWQESA-N 0 0 413.314 4.149 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1S[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000488737358 902974370 /nfs/dbraw/zinc/97/43/70/902974370.db2.gz SAWMSQQKYQPPFK-LBPRGKRZSA-N 0 0 419.350 4.180 20 30 HIEDRN N#Cc1ccc(NC(=O)CSc2nnc(Cc3cccc(F)c3)o2)cc1Cl ZINC000488768951 902985599 /nfs/dbraw/zinc/98/55/99/902985599.db2.gz QQUFMMNKEVLAMF-UHFFFAOYSA-N 0 0 402.838 4.055 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000488812790 903017333 /nfs/dbraw/zinc/01/73/33/903017333.db2.gz UVXJXWMVLGWMDA-XLIONFOSSA-N 0 0 400.486 4.166 20 30 HIEDRN COc1ccc([C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)c2ccc(C)cc2)cc1 ZINC000488833110 903031708 /nfs/dbraw/zinc/03/17/08/903031708.db2.gz ZSYLBTCINARKKE-JOCHJYFZSA-N 0 0 410.470 4.082 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000488833555 903031946 /nfs/dbraw/zinc/03/19/46/903031946.db2.gz VQOPAGMQSQUWIJ-SFHVURJKSA-N 0 0 418.946 4.346 20 30 HIEDRN C=CCn1c(SCC(=O)N(Cc2ccc(C)cc2)C2CC2)nnc1-c1ccccn1 ZINC000488892361 903062480 /nfs/dbraw/zinc/06/24/80/903062480.db2.gz QFJCWYDWCKLFMI-UHFFFAOYSA-N 0 0 419.554 4.118 20 30 HIEDRN C=CCn1c(SCCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1C ZINC000488896311 903065956 /nfs/dbraw/zinc/06/59/56/903065956.db2.gz FQMXWAOCDRVVQH-UHFFFAOYSA-N 0 0 403.511 4.423 20 30 HIEDRN C=CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nnc1-c1ccccc1C ZINC000488902733 903068871 /nfs/dbraw/zinc/06/88/71/903068871.db2.gz WKDQWTLGAWJVQY-UHFFFAOYSA-N 0 0 403.511 4.048 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1cccc(OC)c1 ZINC000488905169 903069939 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ZINC000563754755 945284898 /nfs/dbraw/zinc/28/48/98/945284898.db2.gz NTWJNLJODKGDJD-FQEVSTJZSA-N 0 0 418.478 4.109 20 30 HIEDRN CCCc1c(C(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC000543123955 939958088 /nfs/dbraw/zinc/95/80/88/939958088.db2.gz YBOVWZOKIOZGRT-UHFFFAOYSA-N 0 0 424.451 4.255 20 30 HIEDRN COCC[C@H](Cc1ccco1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000543132400 939963999 /nfs/dbraw/zinc/96/39/99/939963999.db2.gz ZSEADGZIWIVKAO-OAQYLSRUSA-N 0 0 404.466 4.108 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000543151019 939974438 /nfs/dbraw/zinc/97/44/38/939974438.db2.gz IXSLAJTXFHSAFM-UHFFFAOYSA-N 0 0 410.449 4.126 20 30 HIEDRN N#CCC[C@H](NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000543177666 939986072 /nfs/dbraw/zinc/98/60/72/939986072.db2.gz AMWZIZXJOXDISI-IBGZPJMESA-N 0 0 407.449 4.153 20 30 HIEDRN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000543179834 939988039 /nfs/dbraw/zinc/98/80/39/939988039.db2.gz WFQMLBDWQVRZNX-UHFFFAOYSA-N 0 0 412.845 4.166 20 30 HIEDRN N#CCCCNC(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000543183215 939988941 /nfs/dbraw/zinc/98/89/41/939988941.db2.gz ITAQPBKNWFLUIJ-UHFFFAOYSA-N 0 0 407.905 4.338 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000543213747 939997498 /nfs/dbraw/zinc/99/74/98/939997498.db2.gz VGVZVKCBNIGUMA-ZDUSSCGKSA-N 0 0 403.276 4.088 20 30 HIEDRN COC(=O)COc1ccc(N(C)C(=O)c2ccccc2Oc2ccccc2C#N)cc1 ZINC000543214038 939997545 /nfs/dbraw/zinc/99/75/45/939997545.db2.gz UQVANMIWDKWHMW-UHFFFAOYSA-N 0 0 416.433 4.179 20 30 HIEDRN Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)nn1CCC#N ZINC000543319580 940028717 /nfs/dbraw/zinc/02/87/17/940028717.db2.gz QQAIMYZOJYZDJE-LBPRGKRZSA-N 0 0 408.325 4.298 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCn1c2ccccc2c2ccccc21 ZINC000543354550 940040215 /nfs/dbraw/zinc/04/02/15/940040215.db2.gz PYAODRRDLXUGSI-UHFFFAOYSA-N 0 0 413.525 4.271 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000543358434 940041090 /nfs/dbraw/zinc/04/10/90/940041090.db2.gz XYDCCTLADDBRJM-UHFFFAOYSA-N 0 0 422.510 4.071 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000543358154 940041228 /nfs/dbraw/zinc/04/12/28/940041228.db2.gz HXIMAYFRMSGREF-UHFFFAOYSA-N 0 0 403.490 4.237 20 30 HIEDRN CC(C)(C)OC(=O)c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543362676 940041970 /nfs/dbraw/zinc/04/19/70/940041970.db2.gz JLFLNHNVTPCWGP-UHFFFAOYSA-N 0 0 405.498 4.388 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000543383638 940047873 /nfs/dbraw/zinc/04/78/73/940047873.db2.gz GXRNISRIHHSUEY-UHFFFAOYSA-N 0 0 420.469 4.006 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000543392972 940050249 /nfs/dbraw/zinc/05/02/49/940050249.db2.gz LKMCJCSKSIZYIV-HNNXBMFYSA-N 0 0 401.894 4.375 20 30 HIEDRN C=CCn1c(Sc2nc(C)cc(C(F)(F)F)n2)nnc1-c1cccc(OC)c1 ZINC000543436588 940063872 /nfs/dbraw/zinc/06/38/72/940063872.db2.gz LTHDNEMIWGCTKU-UHFFFAOYSA-N 0 0 407.421 4.408 20 30 HIEDRN CC(C)COC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000543486854 940080023 /nfs/dbraw/zinc/08/00/23/940080023.db2.gz YKEPPNHZENZVRQ-YOEHRIQHSA-N 0 0 401.532 4.032 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3ccc(C#N)c(Cl)c3)n2)cc1 ZINC000543543493 940100893 /nfs/dbraw/zinc/10/08/93/940100893.db2.gz ULJQSWAOGWKEGU-CYBMUJFWSA-N 0 0 409.877 4.113 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)N[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)n2)cc1 ZINC000543546984 940103625 /nfs/dbraw/zinc/10/36/25/940103625.db2.gz WKSWSQHMCGWOGT-UONOGXRCSA-N 0 0 407.474 4.058 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1-c1nncn1C(C)C)c1ccccc1 ZINC000543556643 940107468 /nfs/dbraw/zinc/10/74/68/940107468.db2.gz BLQUYQMCEYPOGL-HXUWFJFHSA-N 0 0 417.513 4.288 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000543588506 940121937 /nfs/dbraw/zinc/12/19/37/940121937.db2.gz CHQHBOJAGJYBPM-FXAWDEMLSA-N 0 0 401.576 4.158 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1)n1cnc(C#N)n1 ZINC000543633713 940143416 /nfs/dbraw/zinc/14/34/16/940143416.db2.gz SJGXDSSHNMPUEE-NSHDSACASA-N 0 0 408.874 4.280 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1C(F)(F)F ZINC000543635429 940144536 /nfs/dbraw/zinc/14/45/36/940144536.db2.gz AHRKMHSHVZGTRG-SFHVURJKSA-N 0 0 403.404 4.443 20 30 HIEDRN COc1c(Br)cc(CN2CCC(C)(C#N)CC2)cc1Br ZINC000543739203 940172792 /nfs/dbraw/zinc/17/27/92/940172792.db2.gz PXYGJUFZOHLDBX-UHFFFAOYSA-N 0 0 402.130 4.346 20 30 HIEDRN C=CCSCCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000543745384 940173425 /nfs/dbraw/zinc/17/34/25/940173425.db2.gz PWKLVIDMIJIOHD-UHFFFAOYSA-N 0 0 410.543 4.318 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)n1 ZINC000543766108 940179303 /nfs/dbraw/zinc/17/93/03/940179303.db2.gz VPORFLUDAPNORN-UHFFFAOYSA-N 0 0 407.424 4.434 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000543766862 940179429 /nfs/dbraw/zinc/17/94/29/940179429.db2.gz OYCOUAWKMFXYFT-UHFFFAOYSA-N 0 0 405.433 4.112 20 30 HIEDRN CCOc1ccc([C@H](C)NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1OC ZINC000543768006 940180269 /nfs/dbraw/zinc/18/02/69/940180269.db2.gz ZRPSKRXCZKKXCS-AWEZNQCLSA-N 0 0 423.448 4.173 20 30 HIEDRN N#CC1(CCC[S@@](=O)Cc2nc(-c3c(F)cccc3F)cs2)CCOCC1 ZINC000543789374 940187895 /nfs/dbraw/zinc/18/78/95/940187895.db2.gz DNWIMFQMFAJMJE-HHHXNRCGSA-N 0 0 410.511 4.438 20 30 HIEDRN C[C@@H]1CC[C@]2(CCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)C1 ZINC000543795938 940189521 /nfs/dbraw/zinc/18/95/21/940189521.db2.gz FDSKHNVDWMMYME-MWTRTKDXSA-N 0 0 408.502 4.061 20 30 HIEDRN C[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543855847 940211144 /nfs/dbraw/zinc/21/11/44/940211144.db2.gz TZZXCJONTREXRI-KRWDZBQOSA-N 0 0 423.476 4.480 20 30 HIEDRN Cn1cc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(-c2ccccc2)n1 ZINC000543856491 940211784 /nfs/dbraw/zinc/21/17/84/940211784.db2.gz IQIJGORXQRBFRG-UHFFFAOYSA-N 0 0 422.488 4.468 20 30 HIEDRN C[C@@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543856438 940211884 /nfs/dbraw/zinc/21/18/84/940211884.db2.gz PMQKDQTYTJSYLA-GOSISDBHSA-N 0 0 421.504 4.441 20 30 HIEDRN C=CCn1c(S[C@H](CC(C)C)C(=O)OCC)nnc1[C@H]1COc2ccccc2O1 ZINC000543863320 940215150 /nfs/dbraw/zinc/21/51/50/940215150.db2.gz VGCVFSAPIPJLBM-QZTJIDSGSA-N 0 0 417.531 4.047 20 30 HIEDRN CO[C@H](C)c1nc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)s1 ZINC000543873767 940220506 /nfs/dbraw/zinc/22/05/06/940220506.db2.gz GQLNALRCZOIMJP-LLVKDONJSA-N 0 0 401.879 4.122 20 30 HIEDRN Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nn1-c1cccc(F)c1 ZINC000543875030 940220828 /nfs/dbraw/zinc/22/08/28/940220828.db2.gz DTISQAUCGCPCOC-UHFFFAOYSA-N 0 0 420.835 4.283 20 30 HIEDRN CCCCOC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000543884034 940224912 /nfs/dbraw/zinc/22/49/12/940224912.db2.gz BFKJCTVUASNXII-UHFFFAOYSA-N 0 0 401.898 4.210 20 30 HIEDRN CCCO[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543885439 940225570 /nfs/dbraw/zinc/22/55/70/940225570.db2.gz SNOUWKQSOSPWAU-QGZVFWFLSA-N 0 0 401.898 4.210 20 30 HIEDRN CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543886573 940226015 /nfs/dbraw/zinc/22/60/15/940226015.db2.gz LEOABPOCODONJQ-UHFFFAOYSA-N 0 0 413.840 4.079 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCN(c4ccccc4)C3)n2)c(Cl)c1 ZINC000543885759 940226052 /nfs/dbraw/zinc/22/60/52/940226052.db2.gz SEJNNINWXMENJM-KRWDZBQOSA-N 0 0 420.904 4.188 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCOc4ccccc43)n2)c(Cl)c1 ZINC000543887175 940226723 /nfs/dbraw/zinc/22/67/23/940226723.db2.gz HIOSFFKMYJIRAJ-QGZVFWFLSA-N 0 0 407.861 4.433 20 30 HIEDRN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1(C)C ZINC000543889930 940227965 /nfs/dbraw/zinc/22/79/65/940227965.db2.gz WRDOJUVVDRYESX-DLBZAZTESA-N 0 0 401.898 4.065 20 30 HIEDRN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1(C)C ZINC000543889932 940228040 /nfs/dbraw/zinc/22/80/40/940228040.db2.gz WRDOJUVVDRYESX-IRXDYDNUSA-N 0 0 401.898 4.065 20 30 HIEDRN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1[N+](=O)[O-] ZINC000543892867 940230078 /nfs/dbraw/zinc/23/00/78/940230078.db2.gz OZCWECXXGZNOBV-LBPRGKRZSA-N 0 0 410.821 4.188 20 30 HIEDRN Cn1ncc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1-c1ccccc1 ZINC000543895848 940231391 /nfs/dbraw/zinc/23/13/91/940231391.db2.gz IMQIBTCGRSKAAG-UHFFFAOYSA-N 0 0 402.845 4.050 20 30 HIEDRN Cc1ccn(-c2ccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cc2)n1 ZINC000543898387 940231865 /nfs/dbraw/zinc/23/18/65/940231865.db2.gz ZGPSQEFGNXQJBB-UHFFFAOYSA-N 0 0 402.845 4.144 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)Cc3ccc(Br)s3)n2)c(Cl)c1 ZINC000543898234 940232047 /nfs/dbraw/zinc/23/20/47/940232047.db2.gz RVUXFMOKRLIZQT-UHFFFAOYSA-N 0 0 421.707 4.403 20 30 HIEDRN CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543911535 940240002 /nfs/dbraw/zinc/24/00/02/940240002.db2.gz PZSJHOBSEHANMO-MRXNPFEDSA-N 0 0 404.491 4.467 20 30 HIEDRN C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543915479 940242656 /nfs/dbraw/zinc/24/26/56/940242656.db2.gz 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C=CC[C@@H](CC)NC(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000544032892 940305800 /nfs/dbraw/zinc/30/58/00/940305800.db2.gz SKSGXSPWQJSUFP-UZLBHIALSA-N 0 0 422.497 4.112 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCCCC[C@@H]3/C=C\c3cccs3)cc2)c1N ZINC000544038575 940307200 /nfs/dbraw/zinc/30/72/00/940307200.db2.gz DXRUUSGFHMGTGP-YAINUAMHSA-N 0 0 417.538 4.486 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCc1c(C(=O)OC)sc2cccc(F)c21 ZINC000544082353 940321162 /nfs/dbraw/zinc/32/11/62/940321162.db2.gz DRMSQLZWNOOMBP-UHFFFAOYSA-N 0 0 414.458 4.336 20 30 HIEDRN COc1ccc([C@@H](NCc2ccc(CC#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000544084530 940321943 /nfs/dbraw/zinc/32/19/43/940321943.db2.gz FRCOXVYRHWEHSK-XMMPIXPASA-N 0 0 420.534 4.044 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000544152364 940338616 /nfs/dbraw/zinc/33/86/16/940338616.db2.gz LMWFQMHSNHVPJD-JKSUJKDBSA-N 0 0 404.388 4.344 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(Br)c(Cl)c1 ZINC000544151935 940338652 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N#Cc1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cnc1C(F)(F)F ZINC000555333664 942480671 /nfs/dbraw/zinc/48/06/71/942480671.db2.gz FVOYMJOLBPIPAB-SFHVURJKSA-N 0 0 424.382 4.082 20 30 HIEDRN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC000555362400 942495605 /nfs/dbraw/zinc/49/56/05/942495605.db2.gz UKEWPZYDGUXDBF-OAQYLSRUSA-N 0 0 405.477 4.190 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000555363836 942496497 /nfs/dbraw/zinc/49/64/97/942496497.db2.gz MCBYVIVNKDDAJH-GOSISDBHSA-N 0 0 420.586 4.417 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000555384190 942505845 /nfs/dbraw/zinc/50/58/45/942505845.db2.gz AOEDMUGDUQTSEM-FQEVSTJZSA-N 0 0 407.905 4.286 20 30 HIEDRN C=C1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@@H]2CCCO2)CC1 ZINC000555388940 942508670 /nfs/dbraw/zinc/50/86/70/942508670.db2.gz GFCGXPCUEOMZRO-FQEVSTJZSA-N 0 0 420.513 4.453 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC[C@H](c4cccc(F)c4)C3)n2C[C@H]2CCCO2)c1 ZINC000555393249 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N#Cc1cc(NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc(N)c1[N+](=O)[O-] ZINC000557504215 943173106 /nfs/dbraw/zinc/17/31/06/943173106.db2.gz PKVPCRZMAKXFKW-UHFFFAOYSA-N 0 0 405.389 4.052 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000557518852 943185356 /nfs/dbraw/zinc/18/53/56/943185356.db2.gz GDCPHSXMXMDBIF-UHFFFAOYSA-N 0 0 410.399 4.296 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000557580956 943218019 /nfs/dbraw/zinc/21/80/19/943218019.db2.gz COMKRNIZZBMSTP-KRWDZBQOSA-N 0 0 405.527 4.488 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000557584338 943220418 /nfs/dbraw/zinc/22/04/18/943220418.db2.gz ZBPULHDARLDXMY-IBGZPJMESA-N 0 0 424.570 4.167 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c[nH]c2cccc(Br)c21 ZINC000557588517 943221186 /nfs/dbraw/zinc/22/11/86/943221186.db2.gz NLTMRSHDDFRKSA-UHFFFAOYSA-N 0 0 403.276 4.234 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2nc[nH]c2cc1F ZINC000557590716 943222515 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MNSPGUZMCDCKAV-YOEHRIQHSA-N 0 0 416.308 4.290 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000557646508 943246898 /nfs/dbraw/zinc/24/68/98/943246898.db2.gz HYUDOGXKYSDRMF-UHFFFAOYSA-N 0 0 423.373 4.411 20 30 HIEDRN CCS(=O)(=O)c1ccc(CNc2c(Br)cc(Cl)cc2C#N)cc1 ZINC000557644649 943246937 /nfs/dbraw/zinc/24/69/37/943246937.db2.gz WKEWJIQDPBIUJK-UHFFFAOYSA-N 0 0 413.724 4.380 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)NCc3cc(F)c(F)cc3Br)CC2)c1 ZINC000557687449 943259564 /nfs/dbraw/zinc/25/95/64/943259564.db2.gz VSAGWHUEQRKDES-UHFFFAOYSA-N 0 0 409.205 4.086 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000557723854 943270183 /nfs/dbraw/zinc/27/01/83/943270183.db2.gz STEDOECDDWAHKR-UHFFFAOYSA-N 0 0 420.472 4.010 20 30 HIEDRN C=CCN(C(=O)Nc1ccccc1OC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000557727306 943270626 /nfs/dbraw/zinc/27/06/26/943270626.db2.gz CNAYHJABCNXCQE-CQSZACIVSA-N 0 0 414.416 4.045 20 30 HIEDRN CNC(=O)c1cc(Oc2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)ccn1 ZINC000557794300 943293284 /nfs/dbraw/zinc/29/32/84/943293284.db2.gz FSLAJJWCQGWVPF-UHFFFAOYSA-N 0 0 412.449 4.041 20 30 HIEDRN COCc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc(C(=O)OC)c1 ZINC000557815025 943301411 /nfs/dbraw/zinc/30/14/11/943301411.db2.gz LWHWNOVRMGBVNS-UHFFFAOYSA-N 0 0 405.454 4.130 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCCOc4ccccc43)CC2)c(F)c1 ZINC000557815558 943301743 /nfs/dbraw/zinc/30/17/43/943301743.db2.gz QUKPUDANOXKPIA-FQEVSTJZSA-N 0 0 409.461 4.164 20 30 HIEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC000557847426 943311922 /nfs/dbraw/zinc/31/19/22/943311922.db2.gz LLFURLQKDXDTCB-UHFFFAOYSA-N 0 0 412.311 4.010 20 30 HIEDRN Cc1cc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc2n(C)c1=O ZINC000557857332 943313749 /nfs/dbraw/zinc/31/37/49/943313749.db2.gz HCFWPOROBZUUMV-UHFFFAOYSA-N 0 0 413.433 4.143 20 30 HIEDRN O=S(=O)(NCc1cc(F)c(C(F)(F)F)cc1F)c1ccccc1OC(F)F ZINC000557860696 943315290 /nfs/dbraw/zinc/31/52/90/943315290.db2.gz CLTXTVFVSKLYCA-UHFFFAOYSA-N 0 0 417.302 4.064 20 30 HIEDRN CC(C)(CCC#N)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000557863028 943315332 /nfs/dbraw/zinc/31/53/32/943315332.db2.gz IQZWZMNOWOUOIU-UHFFFAOYSA-N 0 0 414.152 4.364 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000557882378 943320041 /nfs/dbraw/zinc/32/00/41/943320041.db2.gz ZZWHEAWMRHBBMM-INIZCTEOSA-N 0 0 423.879 4.775 20 30 HIEDRN C[C@H](CN(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccccc1 ZINC000557896998 943322725 /nfs/dbraw/zinc/32/27/25/943322725.db2.gz SHTRETXLUOZUMV-LJQANCHMSA-N 0 0 411.505 4.104 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000557919502 943329209 /nfs/dbraw/zinc/32/92/09/943329209.db2.gz XIWHTWOIISTHDL-HNNXBMFYSA-N 0 0 416.880 4.026 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000557998740 943350190 /nfs/dbraw/zinc/35/01/90/943350190.db2.gz ZIAGLXXGKZHWPG-UHFFFAOYSA-N 0 0 403.482 4.113 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000557999771 943351105 /nfs/dbraw/zinc/35/11/05/943351105.db2.gz LSWVEVPKKFKSRM-UHFFFAOYSA-N 0 0 419.934 4.201 20 30 HIEDRN Cn1c2ccccc2nc1[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000558003897 943352706 /nfs/dbraw/zinc/35/27/06/943352706.db2.gz HJUYKTBHDUPPHA-HXUWFJFHSA-N 0 0 407.905 4.264 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)NCc2cc(Br)ccc2F)c1 ZINC000558080397 943374607 /nfs/dbraw/zinc/37/46/07/943374607.db2.gz MPRWLLGCIPRDHQ-UHFFFAOYSA-N 0 0 405.267 4.325 20 30 HIEDRN N#CCCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccc(F)cc1 ZINC000558138966 943393940 /nfs/dbraw/zinc/39/39/40/943393940.db2.gz QKMHRTXTRRTEOZ-UHFFFAOYSA-N 0 0 413.250 4.334 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000558170071 943407037 /nfs/dbraw/zinc/40/70/37/943407037.db2.gz RPDHKQGLEPAIEM-QGZVFWFLSA-N 0 0 406.482 4.224 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Cl)cc3-n3cccn3)C2)c(F)c1 ZINC000558172378 943408971 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N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2)c(F)c1 ZINC000558344922 943519349 /nfs/dbraw/zinc/51/93/49/943519349.db2.gz KIWCUQWVOPCEJF-HSZRJFAPSA-N 0 0 403.457 4.413 20 30 HIEDRN O=C(Nc1ccccc1C#Cc1ccccc1)N1CCn2c(nnc2C2CCCC2)C1 ZINC000558349210 943520376 /nfs/dbraw/zinc/52/03/76/943520376.db2.gz OCLQRHJUJZCBOF-UHFFFAOYSA-N 0 0 411.509 4.383 20 30 HIEDRN C[S@](=O)Cc1ccc(CNC(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000558355056 943522635 /nfs/dbraw/zinc/52/26/35/943522635.db2.gz PUVLMFVPDOVYSU-LJAQVGFWSA-N 0 0 402.519 4.287 20 30 HIEDRN CSc1nc(C2CC2)cc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c1C#N ZINC000558359472 943524106 /nfs/dbraw/zinc/52/41/06/943524106.db2.gz AAKRMHKVLCADCM-UHFFFAOYSA-N 0 0 415.425 4.308 20 30 HIEDRN N#Cc1ccc(CSCc2nc(C3(NC(=O)c4ccccc4)CCC3)no2)cc1 ZINC000558390931 943543195 /nfs/dbraw/zinc/54/31/95/943543195.db2.gz CFFBOLKTSMDITD-UHFFFAOYSA-N 0 0 404.495 4.184 20 30 HIEDRN CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2cncc(C#N)c2)nc1-c1ccccc1 ZINC000558472558 943568393 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C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558594131 943612092 /nfs/dbraw/zinc/61/20/92/943612092.db2.gz DJZUTLIIMFFIDR-AWEZNQCLSA-N 0 0 404.297 4.240 20 30 HIEDRN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558594420 943612572 /nfs/dbraw/zinc/61/25/72/943612572.db2.gz WOBSPPAWFRYDNV-UHFFFAOYSA-N 0 0 413.525 4.262 20 30 HIEDRN COc1cc(CNC(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)ccc1C#N ZINC000558610685 943617365 /nfs/dbraw/zinc/61/73/65/943617365.db2.gz VCCGVGQETKKMGV-INIZCTEOSA-N 0 0 402.454 4.315 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 ZINC000558637289 943622152 /nfs/dbraw/zinc/62/21/52/943622152.db2.gz VZFCKJGCMCICHQ-UHFFFAOYSA-N 0 0 423.423 4.320 20 30 HIEDRN C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000558664515 943626129 /nfs/dbraw/zinc/62/61/29/943626129.db2.gz ZPUMMDASMPMCDW-DENIHFKCSA-N 0 0 402.498 4.279 20 30 HIEDRN Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000558680110 943627777 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HIEDRN C=CCSc1ccccc1NC(=O)CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000558860182 943705421 /nfs/dbraw/zinc/70/54/21/943705421.db2.gz ODEHORWVIBHCSE-UHFFFAOYSA-N 0 0 419.554 4.149 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558867670 943709823 /nfs/dbraw/zinc/70/98/23/943709823.db2.gz YCYXXLUQEDXYMR-QHCPKHFHSA-N 0 0 413.468 4.042 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000558882338 943716952 /nfs/dbraw/zinc/71/69/52/943716952.db2.gz ORLBRSIMPTXZES-UHFFFAOYSA-N 0 0 402.401 4.066 20 30 HIEDRN COc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccccc2)c1OC ZINC000558923052 943748356 /nfs/dbraw/zinc/74/83/56/943748356.db2.gz QSFAKGDFBPDIEK-UHFFFAOYSA-N 0 0 417.513 4.141 20 30 HIEDRN Cc1cnc(CCN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)s1 ZINC000558924058 943748419 /nfs/dbraw/zinc/74/84/19/943748419.db2.gz DEQOLJVGHACUBP-UHFFFAOYSA-N 0 0 414.538 4.309 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC000558962580 943771940 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C=CCn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nnc1-c1cccc(C)c1 ZINC000195678411 853752905 /nfs/dbraw/zinc/75/29/05/853752905.db2.gz NCCVXMNXBOLCBB-MRXNPFEDSA-N 0 0 424.492 4.333 20 30 HIEDRN C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000195733138 853784990 /nfs/dbraw/zinc/78/49/90/853784990.db2.gz RMZIPUOTBONNJQ-LLVKDONJSA-N 0 0 413.724 4.356 20 30 HIEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000196524735 853794044 /nfs/dbraw/zinc/79/40/44/853794044.db2.gz RPGGMJYBLSJLET-UHFFFAOYSA-N 0 0 407.495 4.147 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000206750586 853799908 /nfs/dbraw/zinc/79/99/08/853799908.db2.gz SYSFRZFGBINQMX-AWEZNQCLSA-N 0 0 411.458 4.211 20 30 HIEDRN CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2cccc(OCc3ccccc3)c2)c1 ZINC000206991242 853800472 /nfs/dbraw/zinc/80/04/72/853800472.db2.gz OIRPFHKTMHTPOH-PFONDFGASA-N 0 0 421.518 4.412 20 30 HIEDRN CCCCOc1ccc(/C=C\C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000207212054 853802012 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/nfs/dbraw/zinc/37/41/07/855374107.db2.gz RAPRNBLXBQCPCO-UHFFFAOYSA-N 0 0 415.472 4.384 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccccc2I)cc1C(F)(F)F ZINC000316687216 855379991 /nfs/dbraw/zinc/37/99/91/855379991.db2.gz ZRIJWBCTOIRKDL-UHFFFAOYSA-N 0 0 416.140 4.434 20 30 HIEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2I)c(F)c1 ZINC000387288558 855445440 /nfs/dbraw/zinc/44/54/40/855445440.db2.gz ODQFKPSGGPKRIT-UHFFFAOYSA-N 0 0 418.568 4.347 20 30 HIEDRN Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000409472004 855498216 /nfs/dbraw/zinc/49/82/16/855498216.db2.gz UTBPRFWFQVXOBG-OAQYLSRUSA-N 0 0 400.482 4.124 20 30 HIEDRN CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409496901 855509867 /nfs/dbraw/zinc/50/98/67/855509867.db2.gz AZNGYXLUWDGCSO-QZTJIDSGSA-N 0 0 415.559 4.081 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1C(F)(F)F ZINC000409507365 855514041 /nfs/dbraw/zinc/51/40/41/855514041.db2.gz MRCHFSSVWIKHCT-IBGZPJMESA-N 0 0 417.412 4.040 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCNc1ccccn1 ZINC000409516567 855519454 /nfs/dbraw/zinc/51/94/54/855519454.db2.gz HQIWWAVRFNPAKB-UHFFFAOYSA-N 0 0 421.314 4.183 20 30 HIEDRN N#Cc1nc(N[C@@H]2COc3cc(F)c(Br)cc32)ccc1C(F)(F)F ZINC000409532686 855527505 /nfs/dbraw/zinc/52/75/05/855527505.db2.gz FHFVOWUTHYGUQA-GFCCVEGCSA-N 0 0 402.145 4.419 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000409533836 855528781 /nfs/dbraw/zinc/52/87/81/855528781.db2.gz HVNAOUNEQINZSD-JDFRZJQESA-N 0 0 405.281 4.495 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1 ZINC000409576845 855549719 /nfs/dbraw/zinc/54/97/19/855549719.db2.gz XYRKXLGOHFQJIR-FPOVZHCZSA-N 0 0 416.481 4.120 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409582040 855552168 /nfs/dbraw/zinc/55/21/68/855552168.db2.gz NRCOGDJPPOTCGQ-ZDUSSCGKSA-N 0 0 407.417 4.221 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(c1)nc(C(F)F)n2C ZINC000409593810 855557309 /nfs/dbraw/zinc/55/73/09/855557309.db2.gz FITVQBNTGRFUPD-UHFFFAOYSA-N 0 0 400.385 4.248 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl ZINC000409637195 855576233 /nfs/dbraw/zinc/57/62/33/855576233.db2.gz FPYFZFFHZAYYCN-UHFFFAOYSA-N 0 0 405.845 4.181 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccnn3Cc3cccc4ccccc43)n2)c1 ZINC000409642099 855578947 /nfs/dbraw/zinc/57/89/47/855578947.db2.gz ZNKYHWDSNJELEE-UHFFFAOYSA-N 0 0 418.460 4.394 20 30 HIEDRN COc1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1OC1CCCC1 ZINC000409651382 855584277 /nfs/dbraw/zinc/58/42/77/855584277.db2.gz HAUFKSXDMAVXNZ-UHFFFAOYSA-N 0 0 416.481 4.004 20 30 HIEDRN COc1ccccc1[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000409671168 855594642 /nfs/dbraw/zinc/59/46/42/855594642.db2.gz ASMWAUQRCHDSSO-XMMPIXPASA-N 0 0 408.461 4.272 20 30 HIEDRN COc1cc(I)c(Cl)cc1C(=O)Nc1ccccc1C#N ZINC000409720179 855619332 /nfs/dbraw/zinc/61/93/32/855619332.db2.gz GTZYCENYCIODJI-UHFFFAOYSA-N 0 0 412.614 4.077 20 30 HIEDRN Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1OCC1CCOCC1 ZINC000409733885 855626190 /nfs/dbraw/zinc/62/61/90/855626190.db2.gz ZQUIRWKWSQSEEP-UHFFFAOYSA-N 0 0 416.481 4.110 20 30 HIEDRN Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc(C)c1OC(F)F ZINC000409767411 855643587 /nfs/dbraw/zinc/64/35/87/855643587.db2.gz GDNGUUHXLCMQCB-UHFFFAOYSA-N 0 0 400.425 4.460 20 30 HIEDRN C=CCN(C(=O)COc1ccc(C(C)C)c(C)c1)c1nc(C(=O)OCC)cs1 ZINC000409832567 855677617 /nfs/dbraw/zinc/67/76/17/855677617.db2.gz PLXQADMDNMNNKA-UHFFFAOYSA-N 0 0 402.516 4.350 20 30 HIEDRN O=C(CNc1ccc(F)cc1OCCC(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000409852487 855688310 /nfs/dbraw/zinc/68/83/10/855688310.db2.gz HBIACHCJWJBWEG-LLVKDONJSA-N 0 0 416.337 4.370 20 30 HIEDRN CCOC(=O)c1cc2cc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)ccc2s1 ZINC000409856257 855690858 /nfs/dbraw/zinc/69/08/58/855690858.db2.gz PBZFKMSGIUUAJA-UHFFFAOYSA-N 0 0 416.462 4.388 20 30 HIEDRN CCn1c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)nc2cc(C#N)ccc21 ZINC000409879749 855703353 /nfs/dbraw/zinc/70/33/53/855703353.db2.gz MHVGWSPWJAKXRZ-LBPRGKRZSA-N 0 0 413.275 4.096 20 30 HIEDRN CC(C)(COCc1ccccc1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000409895081 855711562 /nfs/dbraw/zinc/71/15/62/855711562.db2.gz CSNNHKAMCWASNO-UHFFFAOYSA-N 0 0 404.466 4.455 20 30 HIEDRN CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000409909816 855718447 /nfs/dbraw/zinc/71/84/47/855718447.db2.gz VLIKAADMOVQENL-OAHLLOKOSA-N 0 0 419.934 4.030 20 30 HIEDRN CC(C)(COCc1ccccc1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000409949147 855739774 /nfs/dbraw/zinc/73/97/74/855739774.db2.gz HSHIQTRBWIMCST-UHFFFAOYSA-N 0 0 407.514 4.002 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)n2)c1 ZINC000410030461 855786583 /nfs/dbraw/zinc/78/65/83/855786583.db2.gz YTLHKNNFXDTVHR-SAABIXHNSA-N 0 0 410.399 4.439 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)c1 ZINC000410096478 855818044 /nfs/dbraw/zinc/81/80/44/855818044.db2.gz DKYFMXBIVISBDT-HXUWFJFHSA-N 0 0 424.859 4.393 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N[C@@H](CO)c3cccc(Cl)c3F)c2)cc1 ZINC000410111827 855826285 /nfs/dbraw/zinc/82/62/85/855826285.db2.gz WKTDKSVBVYQTJR-NRFANRHFSA-N 0 0 424.859 4.393 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)C1=O ZINC000410116891 855827603 /nfs/dbraw/zinc/82/76/03/855827603.db2.gz HHHKICSRSDKNLG-JOCHJYFZSA-N 0 0 419.500 4.152 20 30 HIEDRN COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410132106 855833474 /nfs/dbraw/zinc/83/34/74/855833474.db2.gz UZODPYQWQAZLSA-QGZVFWFLSA-N 0 0 410.417 4.111 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000437393823 862726159 /nfs/dbraw/zinc/72/61/59/862726159.db2.gz QVTLPDSBWMIJCX-OAHLLOKOSA-N 0 0 420.444 4.113 20 30 HIEDRN Cc1cccc(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)c1 ZINC000410152899 855841084 /nfs/dbraw/zinc/84/10/84/855841084.db2.gz CANQQXZQFSTPPY-UHFFFAOYSA-N 0 0 423.460 4.151 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000410238002 855875800 /nfs/dbraw/zinc/87/58/00/855875800.db2.gz RXIJABRWELPQDW-WMLDXEAASA-N 0 0 413.543 4.180 20 30 HIEDRN N#Cc1ccc(SCC(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000410259109 855886156 /nfs/dbraw/zinc/88/61/56/855886156.db2.gz ANEURLYJXSVRTM-MRXNPFEDSA-N 0 0 403.301 4.053 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)c2)cc1 ZINC000410275510 855895783 /nfs/dbraw/zinc/89/57/83/855895783.db2.gz LENRJTVABDERPB-BJKOFHAPSA-N 0 0 413.477 4.111 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000410292035 855908850 /nfs/dbraw/zinc/90/88/50/855908850.db2.gz VYCJQQMBTNLGAA-CQSZACIVSA-N 0 0 403.511 4.243 20 30 HIEDRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000410326041 855930066 /nfs/dbraw/zinc/93/00/66/855930066.db2.gz NOYJIROFJUUFLM-QHCPKHFHSA-N 0 0 400.482 4.238 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000410349613 855942718 /nfs/dbraw/zinc/94/27/18/855942718.db2.gz BCTMEMOMRWAFBH-UHFFFAOYSA-N 0 0 416.543 4.097 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000410354595 855945311 /nfs/dbraw/zinc/94/53/11/855945311.db2.gz QJBGJXKUBMHGBQ-NZQKXSOJSA-N 0 0 410.514 4.474 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000410356384 855946804 /nfs/dbraw/zinc/94/68/04/855946804.db2.gz VRBDBEAEQHUGFB-HXUWFJFHSA-N 0 0 408.523 4.162 20 30 HIEDRN C=CCCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000410383630 855965138 /nfs/dbraw/zinc/96/51/38/855965138.db2.gz OOEJSFVABSZCKL-UHFFFAOYSA-N 0 0 412.555 4.161 20 30 HIEDRN COc1ccc(Sc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc2Cl)cc1 ZINC000437398387 862741707 /nfs/dbraw/zinc/74/17/07/862741707.db2.gz SKTQTGOKXOIGOA-ZDUSSCGKSA-N 0 0 417.918 4.056 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000410392270 855969813 /nfs/dbraw/zinc/96/98/13/855969813.db2.gz XVUROMYOAPAYCB-HNNXBMFYSA-N 0 0 418.522 4.427 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(Cc2c(F)cccc2F)C2CC2)ccc1C(F)(F)F ZINC000410400991 855976021 /nfs/dbraw/zinc/97/60/21/855976021.db2.gz DNIZEUARQARCCA-UHFFFAOYSA-N 0 0 416.371 4.209 20 30 HIEDRN C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425916547 855997043 /nfs/dbraw/zinc/99/70/43/855997043.db2.gz BPEULMMPHHEZFV-HNNXBMFYSA-N 0 0 405.479 4.098 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CC2)c2ccccc21 ZINC000425919805 855999376 /nfs/dbraw/zinc/99/93/76/855999376.db2.gz NMNYHDVZPLOLIW-KRWDZBQOSA-N 0 0 406.555 4.366 20 30 HIEDRN CCOc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000425957110 856017537 /nfs/dbraw/zinc/01/75/37/856017537.db2.gz AETWOUFVHAWXKR-UHFFFAOYSA-N 0 0 415.449 4.004 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc2[nH]ccc21 ZINC000425959010 856018121 /nfs/dbraw/zinc/01/81/21/856018121.db2.gz QLKJMEMWSKBUGK-UHFFFAOYSA-N 0 0 406.467 4.073 20 30 HIEDRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000437402037 862751257 /nfs/dbraw/zinc/75/12/57/862751257.db2.gz AQSBIWXTFDUKPL-UHFFFAOYSA-N 0 0 414.465 4.302 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 ZINC000426070486 856086139 /nfs/dbraw/zinc/08/61/39/856086139.db2.gz CTVCWAQPGCYCBC-UYAOXDASSA-N 0 0 423.423 4.406 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000426098932 856107041 /nfs/dbraw/zinc/10/70/41/856107041.db2.gz WQEQSNGQKHRESU-QGZVFWFLSA-N 0 0 424.501 4.083 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c(Cl)c1 ZINC000426136598 856131886 /nfs/dbraw/zinc/13/18/86/856131886.db2.gz MELRJSKCMVNKHT-AWEZNQCLSA-N 0 0 419.710 4.375 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)Nc3cccc4[nH]ccc43)cc2)c1 ZINC000426188929 856164855 /nfs/dbraw/zinc/16/48/55/856164855.db2.gz XPPDSNUFJDOZAH-UHFFFAOYSA-N 0 0 410.433 4.196 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@H]1CCCOCC1)c1ccc2c(c1)OCO2 ZINC000426315484 856241462 /nfs/dbraw/zinc/24/14/62/856241462.db2.gz WGOOLJPDAHBGDA-SFHVURJKSA-N 0 0 409.482 4.330 20 30 HIEDRN COc1cccc(NC(=O)Cc2noc(-c3sc4ccc(C#N)cc4c3C)n2)c1 ZINC000426430439 856286600 /nfs/dbraw/zinc/28/66/00/856286600.db2.gz ANYZIKAIGMKBRD-UHFFFAOYSA-N 0 0 404.451 4.321 20 30 HIEDRN Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(-c4ccc(C#N)o4)n3)n2)c1 ZINC000426435072 856289163 /nfs/dbraw/zinc/28/91/63/856289163.db2.gz JSRAUIVMDKDVFF-UHFFFAOYSA-N 0 0 405.439 4.123 20 30 HIEDRN N#Cc1cccc(NCC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 ZINC000426445742 856294715 /nfs/dbraw/zinc/29/47/15/856294715.db2.gz OFBCFPMIMFDHFY-UHFFFAOYSA-N 0 0 401.904 4.265 20 30 HIEDRN CCO[C@H](C)c1nc(CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000426460166 856302420 /nfs/dbraw/zinc/30/24/20/856302420.db2.gz MGOCOTVSTHXIRG-QGZVFWFLSA-N 0 0 403.979 4.063 20 30 HIEDRN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CNc1cccc(C#N)c1 ZINC000426461196 856302615 /nfs/dbraw/zinc/30/26/15/856302615.db2.gz PLXXFBLXTMCKOE-BUXKBTBVSA-N 0 0 416.344 4.332 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2ccccc2S(=O)(=O)N(C)C)no1 ZINC000426464031 856305004 /nfs/dbraw/zinc/30/50/04/856305004.db2.gz XJZXNMKVXUZYKY-UHFFFAOYSA-N 0 0 424.507 4.049 20 30 HIEDRN CS[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426511390 856327645 /nfs/dbraw/zinc/32/76/45/856327645.db2.gz RNNAUFGXBSROCZ-QFBILLFUSA-N 0 0 409.511 4.079 20 30 HIEDRN CCCN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426571051 856354097 /nfs/dbraw/zinc/35/40/97/856354097.db2.gz RGTLFECCEWNCPZ-OAQYLSRUSA-N 0 0 421.497 4.097 20 30 HIEDRN CC(C)(C)Oc1ccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)nc1 ZINC000426602865 856367902 /nfs/dbraw/zinc/36/79/02/856367902.db2.gz KPERQUJZJFJCDI-OAHLLOKOSA-N 0 0 407.449 4.314 20 30 HIEDRN N#Cc1cccc(NCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000426613310 856373324 /nfs/dbraw/zinc/37/33/24/856373324.db2.gz RFYYABDNXIMTST-UHFFFAOYSA-N 0 0 417.340 4.058 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000426617888 856375421 /nfs/dbraw/zinc/37/54/21/856375421.db2.gz KIYKKMUPAGTZAE-IBGZPJMESA-N 0 0 403.866 4.334 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1)c1ccccc1 ZINC000426621401 856377404 /nfs/dbraw/zinc/37/74/04/856377404.db2.gz VWLQCMKNYQAGOC-BWKNWUBXSA-N 0 0 404.510 4.460 20 30 HIEDRN Cc1cn2c(nc(C)c2-c2noc([C@@H]3CCCN(c4nc(C)ccc4C#N)C3)n2)s1 ZINC000426628981 856382348 /nfs/dbraw/zinc/38/23/48/856382348.db2.gz OZNOAUVXQGXUKQ-MRXNPFEDSA-N 0 0 419.514 4.022 20 30 HIEDRN CN(CCc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426659850 856398090 /nfs/dbraw/zinc/39/80/90/856398090.db2.gz JGEHXEZYUIIXHB-UHFFFAOYSA-N 0 0 417.440 4.129 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000426670152 856405052 /nfs/dbraw/zinc/40/50/52/856405052.db2.gz CWLMGSDVTZQASV-HKUYNNGSSA-N 0 0 407.424 4.117 20 30 HIEDRN CSc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000426672333 856406134 /nfs/dbraw/zinc/40/61/34/856406134.db2.gz ADLDJFPKPVWYBE-UHFFFAOYSA-N 0 0 417.490 4.327 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000426689736 856414127 /nfs/dbraw/zinc/41/41/27/856414127.db2.gz WYJOGRBEGXTERZ-UHFFFAOYSA-N 0 0 420.303 4.401 20 30 HIEDRN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000426779702 856474626 /nfs/dbraw/zinc/47/46/26/856474626.db2.gz KLQRWANOUAHRGG-XMMPIXPASA-N 0 0 416.477 4.451 20 30 HIEDRN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000426795106 856482152 /nfs/dbraw/zinc/48/21/52/856482152.db2.gz WXAZJUPOIVSCFY-DEOSSOPVSA-N 0 0 416.477 4.451 20 30 HIEDRN N#CCCCOc1cccc(C[NH2+][C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426809437 856491407 /nfs/dbraw/zinc/49/14/07/856491407.db2.gz VGJDXTUKFXZVPM-LJQANCHMSA-N 0 0 417.303 4.437 20 30 HIEDRN Cc1cc(C)c(C(=O)CCCC(=O)Nc2ccccc2-n2cnc(C#N)n2)c(C)c1 ZINC000426821251 856497100 /nfs/dbraw/zinc/49/71/00/856497100.db2.gz RFVJDPQQRMBSKJ-UHFFFAOYSA-N 0 0 401.470 4.056 20 30 HIEDRN C=C(C)COc1cc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])ccc1OC ZINC000426825878 856501218 /nfs/dbraw/zinc/50/12/18/856501218.db2.gz NJLIIYCJPSWJEK-HXUWFJFHSA-N 0 0 412.461 4.056 20 30 HIEDRN C=C[C@H](CO)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000426845913 856511041 /nfs/dbraw/zinc/51/10/41/856511041.db2.gz PZFPVLMCFCLDIO-GFCCVEGCSA-N 0 0 412.389 4.042 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437433439 862805510 /nfs/dbraw/zinc/80/55/10/862805510.db2.gz ZCRMHWOXXQOLGY-JCNLHEQBSA-N 0 0 404.388 4.027 20 30 HIEDRN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)c1cc(F)cc2n[nH]nc21 ZINC000426928875 856546614 /nfs/dbraw/zinc/54/66/14/856546614.db2.gz LHIUTMYQDYZCIG-UHFFFAOYSA-N 0 0 422.260 4.309 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)ccc1F ZINC000437440186 862809832 /nfs/dbraw/zinc/80/98/32/862809832.db2.gz RCFKOZBOMWKSFZ-UHFFFAOYSA-N 0 0 405.404 4.004 20 30 HIEDRN COCCN(CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(F)cc1Cl ZINC000427010240 856594054 /nfs/dbraw/zinc/59/40/54/856594054.db2.gz XSZLJXNZLJSNIC-UHFFFAOYSA-N 0 0 409.914 4.116 20 30 HIEDRN C=C(C)CNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc32)c(F)c1 ZINC000427036082 856605920 /nfs/dbraw/zinc/60/59/20/856605920.db2.gz AFRXSRXNPKXJFN-UHFFFAOYSA-N 0 0 413.836 4.450 20 30 HIEDRN Cn1cc(-c2c[nH]cc2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cn1 ZINC000427097657 856634676 /nfs/dbraw/zinc/63/46/76/856634676.db2.gz VIEAWWKAVRUOBZ-UHFFFAOYSA-N 0 0 415.428 4.257 20 30 HIEDRN Cc1ccc(-n2nccc2NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)nn1 ZINC000427132172 856658787 /nfs/dbraw/zinc/65/87/87/856658787.db2.gz ZWYYUKMVSXFPCO-UHFFFAOYSA-N 0 0 414.400 4.026 20 30 HIEDRN C=C[C@H](C)NC(=O)CC(CC(=O)N[C@@H](C)C=C)c1ccc(Br)c(C)c1 ZINC000427163789 856681961 /nfs/dbraw/zinc/68/19/61/856681961.db2.gz JHWNBDNXFYJPIW-GJZGRUSLSA-N 0 0 407.352 4.003 20 30 HIEDRN C=CC[C@@H](C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1)c1ccccc1 ZINC000427164066 856683525 /nfs/dbraw/zinc/68/35/25/856683525.db2.gz LDVQMXYPFFJTBK-GHTZIAJQSA-N 0 0 413.587 4.245 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 ZINC000437462546 862825404 /nfs/dbraw/zinc/82/54/04/862825404.db2.gz OAVXEZUKYRVRFH-UHFFFAOYSA-N 0 0 423.538 4.214 20 30 HIEDRN C[C@@H](c1ccc(Br)cc1)S(=O)(=O)CCCC1(C#N)CCOCC1 ZINC000427184665 856698232 /nfs/dbraw/zinc/69/82/32/856698232.db2.gz IRVWSQIWXKMCCG-AWEZNQCLSA-N 0 0 400.338 4.025 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1 ZINC000427196163 856706816 /nfs/dbraw/zinc/70/68/16/856706816.db2.gz FENDEADVSIWVJV-MRXNPFEDSA-N 0 0 406.244 4.134 20 30 HIEDRN Cc1ccc(N(CCC#N)S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427208099 856713858 /nfs/dbraw/zinc/71/38/58/856713858.db2.gz ARKUWMXPYULNTP-UHFFFAOYSA-N 0 0 402.369 4.142 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CN2C(=O)CCc3ccccc32)cc1F ZINC000437465557 862828064 /nfs/dbraw/zinc/82/80/64/862828064.db2.gz DMRUQYOGRSEUCU-UHFFFAOYSA-N 0 0 415.424 4.408 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C ZINC000437466818 862828883 /nfs/dbraw/zinc/82/88/83/862828883.db2.gz LFRBMDRTIFRPSX-KUHUBIRLSA-N 0 0 422.451 4.121 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3F)nc2)c1 ZINC000427265208 856742902 /nfs/dbraw/zinc/74/29/02/856742902.db2.gz MCSHDOHVYUXGJG-UHFFFAOYSA-N 0 0 407.401 4.155 20 30 HIEDRN N#Cc1ccc(Cn2c(=O)c(C(F)(F)F)nc3ccc(C(F)(F)F)cc32)c(F)c1 ZINC000427275850 856748124 /nfs/dbraw/zinc/74/81/24/856748124.db2.gz UXCSVFFCXANKII-UHFFFAOYSA-N 0 0 415.268 4.493 20 30 HIEDRN COC(=O)c1ncccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000427327099 856773568 /nfs/dbraw/zinc/77/35/68/856773568.db2.gz JYVMIQBQDFNDQM-UHFFFAOYSA-N 0 0 407.813 4.438 20 30 HIEDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000427340464 856780290 /nfs/dbraw/zinc/78/02/90/856780290.db2.gz UDOFTEDJIOZCHE-LBNNCAPOSA-N 0 0 410.539 4.355 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@](C)(CO)C(C)C ZINC000427366271 856797750 /nfs/dbraw/zinc/79/77/50/856797750.db2.gz MRTBHTJRIGRVEK-QFIPXVFZSA-N 0 0 415.559 4.162 20 30 HIEDRN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427455980 856827823 /nfs/dbraw/zinc/82/78/23/856827823.db2.gz MXSPHPOFVGLTFB-GJZGRUSLSA-N 0 0 409.301 4.168 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000437482714 862841221 /nfs/dbraw/zinc/84/12/21/862841221.db2.gz JWPUGBNAFDOWQQ-LEWJYISDSA-N 0 0 403.482 4.423 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3c[nH]cc3-c3ccccc3F)n2)c(Cl)c1 ZINC000427475792 856837163 /nfs/dbraw/zinc/83/71/63/856837163.db2.gz IBVHYKBOZIPTKR-UHFFFAOYSA-N 0 0 405.820 4.784 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000427485756 856838597 /nfs/dbraw/zinc/83/85/97/856838597.db2.gz CJZYUGVWPJZXER-LJQANCHMSA-N 0 0 415.946 4.145 20 30 HIEDRN Cc1cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1Oc1ccncc1 ZINC000427559159 856866146 /nfs/dbraw/zinc/86/61/46/856866146.db2.gz KHMIRTUUUKGBHW-NRFANRHFSA-N 0 0 414.465 4.282 20 30 HIEDRN CN(CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)c1cccs1 ZINC000437488164 862845500 /nfs/dbraw/zinc/84/55/00/862845500.db2.gz CPVFZYMRUQTFRU-UHFFFAOYSA-N 0 0 409.442 4.262 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)c1ccccc1 ZINC000427581270 856876759 /nfs/dbraw/zinc/87/67/59/856876759.db2.gz WLCOEJBPIPIFSU-HNNXBMFYSA-N 0 0 423.257 4.490 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OC(C)C ZINC000427591293 856880518 /nfs/dbraw/zinc/88/05/18/856880518.db2.gz IUFRQCDJWKSHGD-RTWAWAEBSA-N 0 0 405.498 4.019 20 30 HIEDRN CCc1c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cnn1CCC(C)C ZINC000427594538 856881222 /nfs/dbraw/zinc/88/12/22/856881222.db2.gz YICAIKRKZAKROM-UHFFFAOYSA-N 0 0 404.518 4.418 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000427594885 856882192 /nfs/dbraw/zinc/88/21/92/856882192.db2.gz ZMZZNWRXQFCJHU-GHTZIAJQSA-N 0 0 417.440 4.323 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000427659028 856899770 /nfs/dbraw/zinc/89/97/70/856899770.db2.gz DYSRLBDUVIRYFC-KRWDZBQOSA-N 0 0 411.889 4.098 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000427659029 856899969 /nfs/dbraw/zinc/89/99/69/856899969.db2.gz 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COc1cccc(O[C@H](C)CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000437515040 862862241 /nfs/dbraw/zinc/86/22/41/862862241.db2.gz PBZKSZHERRZTJM-OAHLLOKOSA-N 0 0 422.510 4.203 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000427914036 857004326 /nfs/dbraw/zinc/00/43/26/857004326.db2.gz MKGIZVRRCNXMIC-PMACEKPBSA-N 0 0 424.884 4.214 20 30 HIEDRN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000437512650 862860706 /nfs/dbraw/zinc/86/07/06/862860706.db2.gz FZGRYXGUSGOSGG-REWPJTCUSA-N 0 0 418.522 4.466 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC000437514062 862861397 /nfs/dbraw/zinc/86/13/97/862861397.db2.gz MZCMLZVGWPTKMO-MGPUTAFESA-N 0 0 415.511 4.070 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1C ZINC000427951240 857020010 /nfs/dbraw/zinc/02/00/10/857020010.db2.gz OUTAQDQWRQMVMA-OAQYLSRUSA-N 0 0 406.530 4.112 20 30 HIEDRN CCN(C(=O)c1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1Cl)C(C)C ZINC000427952999 857020215 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CCCc1c(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cnn1-c1ccc(C)cc1 ZINC000430287758 858108810 /nfs/dbraw/zinc/10/88/10/858108810.db2.gz GGJBITIVKWAYQR-UHFFFAOYSA-N 0 0 424.508 4.325 20 30 HIEDRN CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](C)Cc1ccsc1 ZINC000430327479 858122010 /nfs/dbraw/zinc/12/20/10/858122010.db2.gz BTNVDUGZWJIRHD-DZIBYMRMSA-N 0 0 412.559 4.367 20 30 HIEDRN Cc1ccc2nc(-c3ccc(NC(=O)C(=O)NCC4(CC#N)CC4)cc3)sc2c1 ZINC000430324557 858122298 /nfs/dbraw/zinc/12/22/98/858122298.db2.gz HHDVERRUVVHZIR-UHFFFAOYSA-N 0 0 404.495 4.020 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(Cl)c1 ZINC000430349329 858129815 /nfs/dbraw/zinc/12/98/15/858129815.db2.gz AUYKQRGUOSKMPN-UHFFFAOYSA-N 0 0 415.836 4.260 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000430374432 858138542 /nfs/dbraw/zinc/13/85/42/858138542.db2.gz BJGFQZFIMKCZCB-GIVPXCGWSA-N 0 0 418.965 4.127 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C(CC)CC 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RSKJGRRFVSEBOO-JTQLQIEISA-N 0 0 407.289 4.422 20 30 HIEDRN COc1cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)ccc1OCc1cnn(C)c1 ZINC000430615357 858236709 /nfs/dbraw/zinc/23/67/09/858236709.db2.gz BISWSERVIALTRW-INIZCTEOSA-N 0 0 424.526 4.252 20 30 HIEDRN C[C@H]1Sc2ccccc2N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H]1C ZINC000430634087 858242279 /nfs/dbraw/zinc/24/22/79/858242279.db2.gz QVKRLNBENYVXSP-HZPDHXFCSA-N 0 0 414.552 4.294 20 30 HIEDRN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccn(CCC#N)n1 ZINC000430700811 858273103 /nfs/dbraw/zinc/27/31/03/858273103.db2.gz NEZDVZWEYDLMMB-UHFFFAOYSA-N 0 0 418.284 4.963 20 30 HIEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000430729762 858279951 /nfs/dbraw/zinc/27/99/51/858279951.db2.gz HMJLOPBCRKNABK-FQEVSTJZSA-N 0 0 414.387 4.400 20 30 HIEDRN C=CCN1C(=O)N(CC#Cc2cccc(C(F)(F)F)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430785165 858305016 /nfs/dbraw/zinc/30/50/16/858305016.db2.gz KKYICWKCCFMTLZ-HXUWFJFHSA-N 0 0 412.411 4.118 20 30 HIEDRN 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ZINC000431319048 858562106 /nfs/dbraw/zinc/56/21/06/858562106.db2.gz NQLNLXKIBGTCDQ-DYESRHJHSA-N 0 0 413.543 4.276 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)C2)c(F)c1 ZINC000437708095 863040979 /nfs/dbraw/zinc/04/09/79/863040979.db2.gz WUONMGMKGJFSJQ-BZSNNMDCSA-N 0 0 410.468 4.051 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3c(Cl)cncc3Cl)s2)cc1 ZINC000431395646 858592998 /nfs/dbraw/zinc/59/29/98/858592998.db2.gz FQIFQXXTGZAIER-UHFFFAOYSA-N 0 0 422.322 4.656 20 30 HIEDRN C[C@](O)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCOCC1 ZINC000431400442 858595846 /nfs/dbraw/zinc/59/58/46/858595846.db2.gz KVVXPBFSHQSZFF-OAQYLSRUSA-N 0 0 400.862 4.120 20 30 HIEDRN COCCn1nc(C)c(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C ZINC000431401644 858596738 /nfs/dbraw/zinc/59/67/38/858596738.db2.gz PADVLXBGHWOKSC-UHFFFAOYSA-N 0 0 405.458 4.454 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000431408906 858600809 /nfs/dbraw/zinc/60/08/09/858600809.db2.gz YBRVSDQTGRAQRK-UHFFFAOYSA-N 0 0 422.485 4.466 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)C[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000431437046 858613663 /nfs/dbraw/zinc/61/36/63/858613663.db2.gz XIYAZFZZFGJCDW-CQSZACIVSA-N 0 0 401.304 4.497 20 30 HIEDRN N#Cc1cc(Cl)cc(Br)c1N1CCc2c(nnn2-c2ccccc2)C1 ZINC000431436289 858613981 /nfs/dbraw/zinc/61/39/81/858613981.db2.gz UINOFTKCRBUNHI-UHFFFAOYSA-N 0 0 414.694 4.118 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@H](C)c1ncc(Br)cn1)c1ccc(F)c(F)c1 ZINC000431463983 858629577 /nfs/dbraw/zinc/62/95/77/858629577.db2.gz HXJBKOFQJFUIKB-MEBBXXQBSA-N 0 0 411.250 4.195 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2ccc(-n3ccnc3C)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431520396 858654188 /nfs/dbraw/zinc/65/41/88/858654188.db2.gz OSULUIGAPXVJQZ-WZONZLPQSA-N 0 0 414.509 4.303 20 30 HIEDRN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ncc(C#N)cc1Cl)OCCO3 ZINC000431565255 858671970 /nfs/dbraw/zinc/67/19/70/858671970.db2.gz OURUNKVFMVPSRB-AWEZNQCLSA-N 0 0 423.900 4.407 20 30 HIEDRN COCCn1nc(C)c(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C ZINC000431567939 858673228 /nfs/dbraw/zinc/67/32/28/858673228.db2.gz ABKFYWHCEQVUEE-UHFFFAOYSA-N 0 0 406.511 4.422 20 30 HIEDRN C=CCn1c(S[C@@H]2CCN(c3cccc(Br)c3)C2=O)nnc1C1CC1 ZINC000431591496 858680190 /nfs/dbraw/zinc/68/01/90/858680190.db2.gz DVPJJNXAGKBSJI-OAHLLOKOSA-N 0 0 419.348 4.002 20 30 HIEDRN CCCCCN(C(=O)c1ncc(C#N)cc1Cl)c1nc(C)c(C(=O)OCC)s1 ZINC000431593431 858680429 /nfs/dbraw/zinc/68/04/29/858680429.db2.gz YVLDLNBTDQXGPH-UHFFFAOYSA-N 0 0 420.922 4.385 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccc1 ZINC000431622875 858695187 /nfs/dbraw/zinc/69/51/87/858695187.db2.gz QWWPACLUWYASKP-AWEZNQCLSA-N 0 0 416.396 4.438 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000437723631 863052923 /nfs/dbraw/zinc/05/29/23/863052923.db2.gz KVTWDCZFNLRSBV-SAHWJRBASA-N 0 0 405.498 4.064 20 30 HIEDRN Cc1ccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1Br ZINC000431629439 858698983 /nfs/dbraw/zinc/69/89/83/858698983.db2.gz WSUKMBGZWOMXCG-GOSISDBHSA-N 0 0 407.333 4.471 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccccc1 ZINC000431634107 858702254 /nfs/dbraw/zinc/70/22/54/858702254.db2.gz MBBHXCNCVDGDMS-GOSISDBHSA-N 0 0 418.316 4.034 20 30 HIEDRN Cc1c(Br)cccc1S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431636707 858704005 /nfs/dbraw/zinc/70/40/05/858704005.db2.gz WYRCFAPMSGCCKQ-KRWDZBQOSA-N 0 0 407.333 4.471 20 30 HIEDRN C[C@@H]1Cc2cc(S(=O)(=O)N[C@H](CCCC#N)c3ccccc3)cc(Cl)c2O1 ZINC000431642167 858706533 /nfs/dbraw/zinc/70/65/33/858706533.db2.gz ZZIHBMKTABSDDK-AUUYWEPGSA-N 0 0 404.919 4.377 20 30 HIEDRN CC(C)(NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431684667 858738364 /nfs/dbraw/zinc/73/83/64/858738364.db2.gz HTXUHVNJBMSRGZ-UHFFFAOYSA-N 0 0 422.485 4.391 20 30 HIEDRN Cc1[nH]nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1C#N ZINC000431698436 858748084 /nfs/dbraw/zinc/74/80/84/858748084.db2.gz MOSBKSYEAADKRF-UHFFFAOYSA-N 0 0 416.872 4.277 20 30 HIEDRN C=CCN1C(=O)N([C@@H](c2cccc(F)c2)c2ccccn2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431737163 858775186 /nfs/dbraw/zinc/77/51/86/858775186.db2.gz QTKVFTSGGFAZRJ-GOTSBHOMSA-N 0 0 415.468 4.372 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000431737920 858776199 /nfs/dbraw/zinc/77/61/99/858776199.db2.gz ARKMFMHVGNKWNA-UHFFFAOYSA-N 0 0 413.399 4.140 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)cc1 ZINC000431763222 858800195 /nfs/dbraw/zinc/80/01/95/858800195.db2.gz AJTMLAYSNFDIJR-UHFFFAOYSA-N 0 0 411.477 4.111 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000431853128 858839793 /nfs/dbraw/zinc/83/97/93/858839793.db2.gz DVTWCYPVOAYIST-NRFANRHFSA-N 0 0 403.869 4.364 20 30 HIEDRN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)c1C ZINC000431854683 858841047 /nfs/dbraw/zinc/84/10/47/858841047.db2.gz PJHVHSLPMSEYQU-UHFFFAOYSA-N 0 0 416.481 4.027 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)NCc3cccc4c3OCCCO4)c2)c1 ZINC000431891607 858858670 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4.017 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1nccn1CCc1ccccc1)c1ccccc1 ZINC000431986008 858905927 /nfs/dbraw/zinc/90/59/27/858905927.db2.gz KYUNRTVRPVTLEZ-JOCHJYFZSA-N 0 0 401.514 4.360 20 30 HIEDRN CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4cccc(C#N)c4C)CC3)c[nH]c21 ZINC000431991234 858909231 /nfs/dbraw/zinc/90/92/31/858909231.db2.gz KAKCPMMTXXRQCK-UHFFFAOYSA-N 0 0 414.509 4.255 20 30 HIEDRN CC(F)(F)c1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000432072072 858967110 /nfs/dbraw/zinc/96/71/10/858967110.db2.gz OYIMTUDDCUSJKE-GOSISDBHSA-N 0 0 416.447 4.277 20 30 HIEDRN C=CCCOCCNC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000432076098 858971016 /nfs/dbraw/zinc/97/10/16/858971016.db2.gz GITGPMSEMKVOLV-KRWDZBQOSA-N 0 0 400.441 4.160 20 30 HIEDRN Cc1cccc(CC2(O)CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)c1 ZINC000432087002 858979901 /nfs/dbraw/zinc/97/99/01/858979901.db2.gz BMHUSQSANQSYIA-UHFFFAOYSA-N 0 0 415.440 4.070 20 30 HIEDRN C=CCNC(=O)c1ccc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc1 ZINC000432130959 859007315 /nfs/dbraw/zinc/00/73/15/859007315.db2.gz UQDJXOBFDUZFKE-GOSISDBHSA-N 0 0 419.447 4.373 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000432196058 859042248 /nfs/dbraw/zinc/04/22/48/859042248.db2.gz MHOFLMJLAUHYIR-BHIFYINESA-N 0 0 408.473 4.107 20 30 HIEDRN Cc1nc(-c2ccc(C)c(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2)n[nH]1 ZINC000432215757 859052198 /nfs/dbraw/zinc/05/21/98/859052198.db2.gz JOHGJPKRMIROQS-UHFFFAOYSA-N 0 0 416.485 4.036 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432270455 859077607 /nfs/dbraw/zinc/07/76/07/859077607.db2.gz LFLXZRJFGXMMHE-ZDUSSCGKSA-N 0 0 400.809 4.457 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NCC2(CC#N)CC2)c1C ZINC000432275779 859080421 /nfs/dbraw/zinc/08/04/21/859080421.db2.gz URHZQGUKYXCXSP-UHFFFAOYSA-N 0 0 402.296 4.067 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000432299487 859091193 /nfs/dbraw/zinc/09/11/93/859091193.db2.gz QICZCIFCSZSHKA-AWEZNQCLSA-N 0 0 402.825 4.226 20 30 HIEDRN FC(F)CSc1ccc(C(F)(F)F)cc1NCc1nnnn1CC(F)(F)F ZINC000432331670 859107079 /nfs/dbraw/zinc/10/70/79/859107079.db2.gz PGDDQFKTGVBJDW-UHFFFAOYSA-N 0 0 421.317 4.224 20 30 HIEDRN COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1cccc(C#N)c1C ZINC000432340814 859110240 /nfs/dbraw/zinc/11/02/40/859110240.db2.gz PNWQRNGESJJRTI-YHYVQYDKSA-N 0 0 417.509 4.287 20 30 HIEDRN N#Cc1cccc(CCNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000432356278 859117846 /nfs/dbraw/zinc/11/78/46/859117846.db2.gz HMTQATHTOHWHPA-LJQANCHMSA-N 0 0 412.331 4.137 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(c2cc3c(cc2Cl)OCO3)C2CCCCC2)cc1 ZINC000432359089 859120360 /nfs/dbraw/zinc/12/03/60/859120360.db2.gz RFOFMWCRLBEXFY-UHFFFAOYSA-N 0 0 418.902 4.468 20 30 HIEDRN C=CCN(C(=O)NCc1cccc(SCC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000432367039 859125157 /nfs/dbraw/zinc/12/51/57/859125157.db2.gz HYEMHFXBQYOWLT-QGZVFWFLSA-N 0 0 422.558 4.233 20 30 HIEDRN CN1C(=O)N([C@@H](CCC#N)c2ccccc2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000432393311 859142681 /nfs/dbraw/zinc/14/26/81/859142681.db2.gz UOZWGYBUWBONTA-ROUUACIJSA-N 0 0 412.287 4.429 20 30 HIEDRN CN(C)c1cc(Br)cc(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000432398005 859145374 /nfs/dbraw/zinc/14/53/74/859145374.db2.gz CHGYULWCNDZESN-UHFFFAOYSA-N 0 0 402.292 4.450 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000432404335 859147066 /nfs/dbraw/zinc/14/70/66/859147066.db2.gz DRQQDXIHHOKNQC-UHFFFAOYSA-N 0 0 416.456 4.197 20 30 HIEDRN COc1ccc([C@H](NC(=O)NCc2c(F)cc(F)c(F)c2F)C(F)(F)F)cc1 ZINC000432462370 859174533 /nfs/dbraw/zinc/17/45/33/859174533.db2.gz IGYYAPLTHBWHBV-HNNXBMFYSA-N 0 0 410.289 4.354 20 30 HIEDRN CC(C)c1nc(-c2ccccc2NC(=O)CCCC(=O)Nc2ccccc2C#N)n[nH]1 ZINC000432464961 859175685 /nfs/dbraw/zinc/17/56/85/859175685.db2.gz NRZBGNLDQNZZDD-UHFFFAOYSA-N 0 0 416.485 4.214 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432508388 859200576 /nfs/dbraw/zinc/20/05/76/859200576.db2.gz CFHGLHPQXFOFMG-MSOLQXFVSA-N 0 0 406.530 4.138 20 30 HIEDRN O=C(NCCc1cccc(C(F)(F)F)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000432523964 859207696 /nfs/dbraw/zinc/20/76/96/859207696.db2.gz AMWNFUXJPJQFBT-UHFFFAOYSA-N 0 0 423.279 4.169 20 30 HIEDRN CCOc1c(Cl)cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000467580140 881395894 /nfs/dbraw/zinc/39/58/94/881395894.db2.gz VELQTPNMYLPCET-KRWDZBQOSA-N 0 0 420.296 4.492 20 30 HIEDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432555373 859225309 /nfs/dbraw/zinc/22/53/09/859225309.db2.gz VGHNSCDUSHCFAD-UHFFFAOYSA-N 0 0 419.312 4.032 20 30 HIEDRN Cc1cc(C)n(-c2cccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)c2)n1 ZINC000432583738 859239380 /nfs/dbraw/zinc/23/93/80/859239380.db2.gz IPJNAWLJSVBUND-UHFFFAOYSA-N 0 0 401.470 4.108 20 30 HIEDRN CCCc1c(NC(=O)COc2ccc(C#N)cc2OC)cnn1-c1ccc(C)cc1 ZINC000432583514 859239586 /nfs/dbraw/zinc/23/95/86/859239586.db2.gz ZEWGPWCZQWHOHH-UHFFFAOYSA-N 0 0 404.470 4.031 20 30 HIEDRN CN(Cc1ccccc1OC(F)(F)F)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432584875 859240579 /nfs/dbraw/zinc/24/05/79/859240579.db2.gz QHAZJYPGYJSHLM-UHFFFAOYSA-N 0 0 419.403 4.224 20 30 HIEDRN N#CC1(c2ccc(C(=O)Nc3nnc([C@@H]4CCCc5ccccc54)s3)cc2)CC1 ZINC000432588838 859242799 /nfs/dbraw/zinc/24/27/99/859242799.db2.gz QRZUTWNSLSPKQQ-LJQANCHMSA-N 0 0 400.507 4.814 20 30 HIEDRN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@]2(CCCOC2)O1 ZINC000432603592 859250822 /nfs/dbraw/zinc/25/08/22/859250822.db2.gz VTWCSOHJLFRUHP-SBUREZEXSA-N 0 0 407.470 4.152 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000432654186 859276359 /nfs/dbraw/zinc/27/63/59/859276359.db2.gz OZDVKHLCSHNTCP-LJQANCHMSA-N 0 0 410.518 4.322 20 30 HIEDRN CC(C)n1cnnc1CN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000432676829 859286720 /nfs/dbraw/zinc/28/67/20/859286720.db2.gz IENZLUPCYRQDGX-UHFFFAOYSA-N 0 0 418.501 4.168 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3N3CCCCCC3)C2)nc1 ZINC000432684873 859293187 /nfs/dbraw/zinc/29/31/87/859293187.db2.gz CGWUITBHRFPBAT-IBGZPJMESA-N 0 0 405.502 4.019 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)Cc2ccccc2O1 ZINC000432717264 859316271 /nfs/dbraw/zinc/31/62/71/859316271.db2.gz GTOPAUJTKIHFCI-CYBMUJFWSA-N 0 0 405.376 4.314 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1 ZINC000432749670 859333795 /nfs/dbraw/zinc/33/37/95/859333795.db2.gz VNOXXTYDGGYTBM-CYBMUJFWSA-N 0 0 410.783 4.311 20 30 HIEDRN CC(C)n1cc2cc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)ccc2n1 ZINC000432763123 859341767 /nfs/dbraw/zinc/34/17/67/859341767.db2.gz AFAHSCUAESDNHH-UHFFFAOYSA-N 0 0 419.304 4.052 20 30 HIEDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000432767784 859347291 /nfs/dbraw/zinc/34/72/91/859347291.db2.gz IXAUKHXTIPWNGS-OAHLLOKOSA-N 0 0 420.391 4.056 20 30 HIEDRN CCNC(=O)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(C)C ZINC000432771614 859351453 /nfs/dbraw/zinc/35/14/53/859351453.db2.gz YAIXODFLVPEYOF-IBGZPJMESA-N 0 0 414.893 4.286 20 30 HIEDRN CC(F)(F)c1cccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432782973 859358296 /nfs/dbraw/zinc/35/82/96/859358296.db2.gz ZOXLVJHTUDLLMF-UHFFFAOYSA-N 0 0 401.232 4.233 20 30 HIEDRN C[C@H](c1ccccc1)[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(N)=O ZINC000432793339 859363361 /nfs/dbraw/zinc/36/33/61/859363361.db2.gz PMXKLIGXFSUADC-OPAMFIHVSA-N 0 0 414.465 4.130 20 30 HIEDRN Cc1nc([C@](C)(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)no1 ZINC000432797555 859365011 /nfs/dbraw/zinc/36/50/11/859365011.db2.gz FPQZECLKDKAAAH-JOCHJYFZSA-N 0 0 403.442 4.489 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000432808787 859369711 /nfs/dbraw/zinc/36/97/11/859369711.db2.gz UGUOSYBHNDOPOZ-UHFFFAOYSA-N 0 0 419.403 4.212 20 30 HIEDRN CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000432809706 859370204 /nfs/dbraw/zinc/37/02/04/859370204.db2.gz QQQQPEUIMWSQQS-OAQYLSRUSA-N 0 0 401.466 4.418 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCN(c4cccc(O)c4)CC3)cc2)cc1 ZINC000432813339 859371258 /nfs/dbraw/zinc/37/12/58/859371258.db2.gz MQVILXSSDAIOFA-UHFFFAOYSA-N 0 0 413.477 4.213 20 30 HIEDRN CC(C)[C@@H]1N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC12CCC2 ZINC000432911986 859425703 /nfs/dbraw/zinc/42/57/03/859425703.db2.gz UWFNPLSBCOEHQL-INIZCTEOSA-N 0 0 413.572 4.744 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)Nc3cnn(CC(F)F)c3)c2)cc1 ZINC000467614591 881420263 /nfs/dbraw/zinc/42/02/63/881420263.db2.gz QINVNRUIYASQTL-UHFFFAOYSA-N 0 0 411.412 4.437 20 30 HIEDRN CCN(Cc1ccc(Br)cc1CN(CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000432940512 859438789 /nfs/dbraw/zinc/43/87/89/859438789.db2.gz SCWZVMOOBJOGIZ-DLBZAZTESA-N 0 0 405.384 4.412 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000433017107 859479427 /nfs/dbraw/zinc/47/94/27/859479427.db2.gz XLIUQACPXNODLM-UHFFFAOYSA-N 0 0 404.495 4.071 20 30 HIEDRN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000433137866 859535623 /nfs/dbraw/zinc/53/56/23/859535623.db2.gz VKMMNPPLZDWSFC-GAJHUEQPSA-N 0 0 423.538 4.287 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000433160275 859546065 /nfs/dbraw/zinc/54/60/65/859546065.db2.gz UWNQOZKUZCAPOI-INIZCTEOSA-N 0 0 418.526 4.252 20 30 HIEDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000433175572 859555842 /nfs/dbraw/zinc/55/58/42/859555842.db2.gz MEWTUOXNRPHOCO-IBGZPJMESA-N 0 0 416.485 4.083 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCOc3c(F)cccc3C2)cc1 ZINC000433267852 859604486 /nfs/dbraw/zinc/60/44/86/859604486.db2.gz ALBNMQUVXJXRRS-UHFFFAOYSA-N 0 0 409.461 4.066 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(Cl)cc3Br)C2)nc1 ZINC000433270907 859606840 /nfs/dbraw/zinc/60/68/40/859606840.db2.gz LNWHDQWMVBAVAH-ZDUSSCGKSA-N 0 0 421.682 4.054 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000467647748 881443394 /nfs/dbraw/zinc/44/33/94/881443394.db2.gz XLXBGZFYQRILHE-UHFFFAOYSA-N 0 0 407.514 4.360 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000433306528 859629107 /nfs/dbraw/zinc/62/91/07/859629107.db2.gz SLHHECOSIJKLML-HXUWFJFHSA-N 0 0 413.477 4.415 20 30 HIEDRN Cc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)nn1-c1cccc(Cl)c1 ZINC000433320529 859638619 /nfs/dbraw/zinc/63/86/19/859638619.db2.gz SIQSUHWSDOARDP-UHFFFAOYSA-N 0 0 417.904 4.618 20 30 HIEDRN N#CCCn1cc(CN[C@H](c2nccs2)c2ccccc2)c(-c2ccncc2)n1 ZINC000433329481 859646859 /nfs/dbraw/zinc/64/68/59/859646859.db2.gz YIQCUGNDEDPCFK-NRFANRHFSA-N 0 0 400.511 4.194 20 30 HIEDRN C[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2ccncc2)cs1 ZINC000433342553 859655774 /nfs/dbraw/zinc/65/57/74/859655774.db2.gz LHKQVEXCVFBYIW-INIZCTEOSA-N 0 0 415.526 4.228 20 30 HIEDRN C[C@@H]1CCCN(c2nnc(SCC#Cc3ccc(F)cc3)n2Cc2ccco2)C1 ZINC000433377846 859664339 /nfs/dbraw/zinc/66/43/39/859664339.db2.gz RIKXYNFWIHVGJY-QGZVFWFLSA-N 0 0 410.518 4.439 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000433379419 859665737 /nfs/dbraw/zinc/66/57/37/859665737.db2.gz YVBMJUQKJQYAKB-HNNXBMFYSA-N 0 0 401.279 4.245 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000433484273 859727398 /nfs/dbraw/zinc/72/73/98/859727398.db2.gz QEJMBXYMUQCJJX-AWEZNQCLSA-N 0 0 411.811 4.021 20 30 HIEDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433488153 859728639 /nfs/dbraw/zinc/72/86/39/859728639.db2.gz SWPOTBOGMOIRMO-OAQYLSRUSA-N 0 0 401.510 4.300 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c(F)c1 ZINC000433515856 859748265 /nfs/dbraw/zinc/74/82/65/859748265.db2.gz DMCJQZUFDLRYRF-JOCHJYFZSA-N 0 0 413.408 4.288 20 30 HIEDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000433577132 859789777 /nfs/dbraw/zinc/78/97/77/859789777.db2.gz YHNJSERBCUGISJ-WAIKUNEKSA-N 0 0 402.450 4.194 20 30 HIEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)CCCC)cc1)c1nc2c(s1)CCCC2 ZINC000433579725 859791431 /nfs/dbraw/zinc/79/14/31/859791431.db2.gz BZIDIOUETROHIW-UHFFFAOYSA-N 0 0 418.584 4.429 20 30 HIEDRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000433594875 859801491 /nfs/dbraw/zinc/80/14/91/859801491.db2.gz OFCIJTFNQKFAHE-UHFFFAOYSA-N 0 0 402.541 4.325 20 30 HIEDRN COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O ZINC000433645053 859822429 /nfs/dbraw/zinc/82/24/29/859822429.db2.gz AAAHIWAKMQWQLH-AREMUKBSSA-N 0 0 423.472 4.127 20 30 HIEDRN C[C@@H]1CC2(CCC2)CN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000433649204 859823789 /nfs/dbraw/zinc/82/37/89/859823789.db2.gz MAIFOZVJMROHLV-OAHLLOKOSA-N 0 0 407.445 4.219 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](Nc3ccccc3NC(=O)c3cccs3)C2=O)cc1 ZINC000433708169 859846601 /nfs/dbraw/zinc/84/66/01/859846601.db2.gz HJQOXWBPYLJLHE-IBGZPJMESA-N 0 0 402.479 4.089 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](Nc3ccccc3NC(=O)c3cccs3)C2=O)cc1 ZINC000433708171 859846936 /nfs/dbraw/zinc/84/69/36/859846936.db2.gz HJQOXWBPYLJLHE-LJQANCHMSA-N 0 0 402.479 4.089 20 30 HIEDRN CCCCS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000433708774 859847110 /nfs/dbraw/zinc/84/71/10/859847110.db2.gz KXPVXXJPQKLSHE-UHFFFAOYSA-N 0 0 423.456 4.061 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cccc(OCc3cccc(C#N)c3)c2)C1=O ZINC000433710961 859847998 /nfs/dbraw/zinc/84/79/98/859847998.db2.gz CMNBPZIQIDKHLX-OAQYLSRUSA-N 0 0 414.490 4.288 20 30 HIEDRN Cc1cc(C(=O)NC2CCCCC2)ccc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433722206 859854257 /nfs/dbraw/zinc/85/42/57/859854257.db2.gz ZXMYROOADBLYOL-QHCPKHFHSA-N 0 0 416.525 4.147 20 30 HIEDRN Cc1nc(-c2ccccc2NC(=O)N2CCN(c3ccccc3C#N)CC2)cs1 ZINC000433784834 859891727 /nfs/dbraw/zinc/89/17/27/859891727.db2.gz YOLBNAUTPMCWSE-UHFFFAOYSA-N 0 0 403.511 4.344 20 30 HIEDRN COc1cc(OC)cc(OCCCN(C)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000433846336 859930417 /nfs/dbraw/zinc/93/04/17/859930417.db2.gz KIEDGSKSAAHCCB-UHFFFAOYSA-N 0 0 414.506 4.065 20 30 HIEDRN CC1(C)CN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@@H]1c1ccccc1 ZINC000433888301 859951470 /nfs/dbraw/zinc/95/14/70/859951470.db2.gz PDURPLISDBGOAC-GOSISDBHSA-N 0 0 407.539 4.283 20 30 HIEDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000433895397 859955327 /nfs/dbraw/zinc/95/53/27/859955327.db2.gz YHSVTMKWROUAQU-UHFFFAOYSA-N 0 0 418.501 4.340 20 30 HIEDRN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(F)cc4C#N)cc3C2=O)c1 ZINC000433987829 860018895 /nfs/dbraw/zinc/01/88/95/860018895.db2.gz JZCSNYKCSFSPOR-UHFFFAOYSA-N 0 0 413.408 4.367 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1F ZINC000434017688 860042386 /nfs/dbraw/zinc/04/23/86/860042386.db2.gz SJSHZNVPAMXXSJ-HNNXBMFYSA-N 0 0 409.244 4.485 20 30 HIEDRN Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)nn1-c1ccc(Br)cc1 ZINC000434029192 860049962 /nfs/dbraw/zinc/04/99/62/860049962.db2.gz AZOOZNJYCQSQCF-KRWDZBQOSA-N 0 0 401.308 4.098 20 30 HIEDRN O=C(Cc1cc(Br)ccc1F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000434032779 860053446 /nfs/dbraw/zinc/05/34/46/860053446.db2.gz TWSDYXOGFIUDRK-UHFFFAOYSA-N 0 0 414.196 4.317 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434050120 860064115 /nfs/dbraw/zinc/06/41/15/860064115.db2.gz VYTFJBVFTDOWKW-ABAIWWIYSA-N 0 0 411.342 4.046 20 30 HIEDRN C[C@@H]1CCc2onc(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)c2C1 ZINC000434118503 860119876 /nfs/dbraw/zinc/11/98/76/860119876.db2.gz BVRVYRYXSVQTQE-CQSZACIVSA-N 0 0 400.438 4.176 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)CCSc2ccnc3cc(Cl)ccc32)cc1 ZINC000434125729 860126757 /nfs/dbraw/zinc/12/67/57/860126757.db2.gz ULNHPZWAVPSGJS-UHFFFAOYSA-N 0 0 411.914 4.437 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434151693 860147412 /nfs/dbraw/zinc/14/74/12/860147412.db2.gz RRBNHSWMPLMMPP-WWGRRREGSA-N 0 0 401.454 4.248 20 30 HIEDRN COC(=O)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1 ZINC000434157835 860153272 /nfs/dbraw/zinc/15/32/72/860153272.db2.gz AOQZOPZBRUOLGF-RHSMWYFYSA-N 0 0 415.490 4.156 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000467710495 881507092 /nfs/dbraw/zinc/50/70/92/881507092.db2.gz JJADZPIOWHXFMN-UHFFFAOYSA-N 0 0 420.271 4.291 20 30 HIEDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000434201979 860187709 /nfs/dbraw/zinc/18/77/09/860187709.db2.gz ZEBNBDGNKVDTTO-BFUOFWGJSA-N 0 0 419.403 4.355 20 30 HIEDRN C=CCN(C(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000434208814 860195626 /nfs/dbraw/zinc/19/56/26/860195626.db2.gz YJVSLCGASQRICI-HNNXBMFYSA-N 0 0 408.907 4.115 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000434218036 860202848 /nfs/dbraw/zinc/20/28/48/860202848.db2.gz PEPFDMZYFSKGHP-OAQYLSRUSA-N 0 0 407.539 4.048 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434229704 860214607 /nfs/dbraw/zinc/21/46/07/860214607.db2.gz TVHLKJKLHCHTSD-UHFFFAOYSA-N 0 0 406.402 4.061 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc(Br)cc1 ZINC000434233388 860217477 /nfs/dbraw/zinc/21/74/77/860217477.db2.gz FJMUVXUIVQINIS-KRWDZBQOSA-N 0 0 423.270 4.371 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)cc2)cc1 ZINC000434305115 860267298 /nfs/dbraw/zinc/26/72/98/860267298.db2.gz BFOWPYDGDYDTEX-FXAWDEMLSA-N 0 0 418.415 4.320 20 30 HIEDRN CN(Cc1cc(Cl)ccc1F)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000434334895 860296861 /nfs/dbraw/zinc/29/68/61/860296861.db2.gz QAKGGRBQADOFHK-UHFFFAOYSA-N 0 0 416.884 4.277 20 30 HIEDRN CC(C)(NC(=O)NCCOCC(F)(F)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000434346586 860303464 /nfs/dbraw/zinc/30/34/64/860303464.db2.gz LYAKMQMUXJPKLZ-UHFFFAOYSA-N 0 0 420.325 4.037 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000434362062 860311243 /nfs/dbraw/zinc/31/12/43/860311243.db2.gz KRTFKLGIXSRCEX-DEOSSOPVSA-N 0 0 416.525 4.107 20 30 HIEDRN C[C@@H](NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434369897 860316838 /nfs/dbraw/zinc/31/68/38/860316838.db2.gz BZJFPMNJRVNVDG-HSALFYBXSA-N 0 0 420.557 4.037 20 30 HIEDRN Cc1ccc2nc(COc3ccc(C(=O)N4CCCC(C)(C)[C@H]4C#N)cc3)cn2c1 ZINC000434441205 860353506 /nfs/dbraw/zinc/35/35/06/860353506.db2.gz OFVYBBTXBJBHRT-OAQYLSRUSA-N 0 0 402.498 4.376 20 30 HIEDRN Cc1ccc(Cl)c(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1C 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403.414 4.276 20 30 HIEDRN Cc1cc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cnc1N1CCCC[C@H]1C ZINC000434616385 860431485 /nfs/dbraw/zinc/43/14/85/860431485.db2.gz HYKQFOZTEIFKSA-QGZVFWFLSA-N 0 0 419.529 4.147 20 30 HIEDRN COc1ccc2[nH]cc(C3CCN([C@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434713670 860467189 /nfs/dbraw/zinc/46/71/89/860467189.db2.gz JJCBSPMBZALTBL-NRFANRHFSA-N 0 0 420.538 4.095 20 30 HIEDRN CN(Cc1cccc(Cl)c1Cl)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434760882 860485617 /nfs/dbraw/zinc/48/56/17/860485617.db2.gz UJZAAMYTSGTQCM-UHFFFAOYSA-N 0 0 407.301 4.019 20 30 HIEDRN CCC[C@H]1CCc2nc(NC(=O)C(=O)N(CCC)Cc3ccc(C#N)cc3)sc2C1 ZINC000434798690 860498391 /nfs/dbraw/zinc/49/83/91/860498391.db2.gz KPTFERLAHXJHTB-INIZCTEOSA-N 0 0 424.570 4.297 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Sc2nc(C(F)(F)F)nc3ccccc32)C1=O ZINC000434803089 860500334 /nfs/dbraw/zinc/50/03/34/860500334.db2.gz OLPCLVASSJRQDX-CYBMUJFWSA-N 0 0 420.441 4.479 20 30 HIEDRN CCCCn1c(S[C@@H]2CCN(c3sccc3C#N)C2=O)nc2ccccc2c1=O ZINC000434807924 860502868 /nfs/dbraw/zinc/50/28/68/860502868.db2.gz HXDXUIVWQCAREB-QGZVFWFLSA-N 0 0 424.551 4.027 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Sc2nnc(-c3cc4ccccc4o3)o2)C1=O ZINC000434833799 860512873 /nfs/dbraw/zinc/51/28/73/860512873.db2.gz MVPQUONFPGMWAH-HNNXBMFYSA-N 0 0 408.464 4.314 20 30 HIEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000434834509 860513791 /nfs/dbraw/zinc/51/37/91/860513791.db2.gz RILYQNSBJVINBT-FQEVSTJZSA-N 0 0 409.873 4.447 20 30 HIEDRN CCc1nnc(Sc2nnc(COc3ccc(Cl)cc3)o2)c(C#N)c1CC ZINC000467744611 881547991 /nfs/dbraw/zinc/54/79/91/881547991.db2.gz HAJAITSAYOZSQB-UHFFFAOYSA-N 0 0 401.879 4.240 20 30 HIEDRN COC(=O)[C@@H](NCc1ccc(COCc2ccccc2)cc1)c1cccc(C#N)c1 ZINC000434857053 860525211 /nfs/dbraw/zinc/52/52/11/860525211.db2.gz GGVGXTMMCSMDAG-DEOSSOPVSA-N 0 0 400.478 4.279 20 30 HIEDRN COC(=O)[C@@H](NCc1ccc(OC(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000434861737 860527036 /nfs/dbraw/zinc/52/70/36/860527036.db2.gz AYTOCIYMNSMUTE-IBGZPJMESA-N 0 0 406.404 4.368 20 30 HIEDRN C=CCN(C(=O)Nc1cc(OC)c(C)cc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000434892420 860539309 /nfs/dbraw/zinc/53/93/09/860539309.db2.gz RKBBOWDBLCHUBK-KRWDZBQOSA-N 0 0 406.490 4.069 20 30 HIEDRN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434917998 860553325 /nfs/dbraw/zinc/55/33/25/860553325.db2.gz XKCBDDARZXRCER-IBGZPJMESA-N 0 0 424.545 4.356 20 30 HIEDRN COc1cc(NC(C)=O)ccc1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000434923959 860555369 /nfs/dbraw/zinc/55/53/69/860555369.db2.gz HSDJZMDAYRGNQZ-KRWDZBQOSA-N 0 0 408.502 4.018 20 30 HIEDRN Cc1cccc(-c2ccc(CNC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)c1 ZINC000434928265 860557823 /nfs/dbraw/zinc/55/78/23/860557823.db2.gz WGECAIBUYVVQKB-UHFFFAOYSA-N 0 0 414.509 4.345 20 30 HIEDRN N#Cc1cccc(C=Cc2nc3c(cnn3-c3cccc(Br)c3)c(=O)[nH]2)c1 ZINC000434930597 860559484 /nfs/dbraw/zinc/55/94/84/860559484.db2.gz JDRXHBMYDINQFG-FPLPWBNLSA-N 0 0 418.254 4.326 20 30 HIEDRN N#Cc1csc(C=Cc2nc3c(cnn3-c3cccc(Br)c3)c(=O)[nH]2)c1 ZINC000434939838 860565529 /nfs/dbraw/zinc/56/55/29/860565529.db2.gz UOIDKJIPOSOHMP-PLNGDYQASA-N 0 0 424.283 4.387 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000434949360 860570418 /nfs/dbraw/zinc/57/04/18/860570418.db2.gz BGUXQDZQABCPLB-UHFFFAOYSA-N 0 0 423.257 4.189 20 30 HIEDRN C[S@](=O)Cc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)ccc1Cl ZINC000434980531 860584278 /nfs/dbraw/zinc/58/42/78/860584278.db2.gz FWKQCYLHFXKCLJ-NDEPHWFRSA-N 0 0 413.934 4.003 20 30 HIEDRN CCCc1csc(NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000435001027 860591725 /nfs/dbraw/zinc/59/17/25/860591725.db2.gz QYOQWBFJLXKUNY-UHFFFAOYSA-N 0 0 420.494 4.123 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000435003201 860592485 /nfs/dbraw/zinc/59/24/85/860592485.db2.gz CBHKENMEYMEJPV-UHFFFAOYSA-N 0 0 408.458 4.256 20 30 HIEDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc21 ZINC000435024386 860604305 /nfs/dbraw/zinc/60/43/05/860604305.db2.gz CLAKTJDMKPOAGR-UHFFFAOYSA-N 0 0 403.482 4.000 20 30 HIEDRN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c(Cl)c1 ZINC000435025441 860604337 /nfs/dbraw/zinc/60/43/37/860604337.db2.gz DCRLWXXKTYKZGD-UHFFFAOYSA-N 0 0 400.866 4.368 20 30 HIEDRN N#Cc1cccc(C2(C(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)CC2)c1 ZINC000435055070 860617736 /nfs/dbraw/zinc/61/77/36/860617736.db2.gz GZKHUYVUBSAHBF-UHFFFAOYSA-N 0 0 401.510 4.425 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435058675 860620805 /nfs/dbraw/zinc/62/08/05/860620805.db2.gz NCUUXWHDPPSEAJ-KRWDZBQOSA-N 0 0 401.510 4.409 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435058677 860621064 /nfs/dbraw/zinc/62/10/64/860621064.db2.gz NCUUXWHDPPSEAJ-QGZVFWFLSA-N 0 0 401.510 4.409 20 30 HIEDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435065670 860625796 /nfs/dbraw/zinc/62/57/96/860625796.db2.gz RUGREOJEBBVWKA-CQSZACIVSA-N 0 0 415.563 4.161 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000435084384 860634355 /nfs/dbraw/zinc/63/43/55/860634355.db2.gz CDVHRLBYPAGZCQ-UHFFFAOYSA-N 0 0 417.509 4.112 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(CC(=O)N4CCc5ccccc54)cc3)CC2)c1 ZINC000435083396 860634448 /nfs/dbraw/zinc/63/44/48/860634448.db2.gz CBYTTWZERWNFNS-UHFFFAOYSA-N 0 0 421.500 4.360 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)ccc1-c1ccccc1 ZINC000435110768 860645649 /nfs/dbraw/zinc/64/56/49/860645649.db2.gz LDVNZPUTXHMVQW-UHFFFAOYSA-N 0 0 414.509 4.345 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000435119569 860649390 /nfs/dbraw/zinc/64/93/90/860649390.db2.gz NERZVLFXUXNNCV-UHFFFAOYSA-N 0 0 410.493 4.035 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000435128954 860654422 /nfs/dbraw/zinc/65/44/22/860654422.db2.gz HGWBKVYVGJJJEA-UHFFFAOYSA-N 0 0 403.486 4.108 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000435137503 860659162 /nfs/dbraw/zinc/65/91/62/860659162.db2.gz DPNXOXWDVINPBX-CQSZACIVSA-N 0 0 411.506 4.202 20 30 HIEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ncc(-c2ccccc2)o1 ZINC000435149596 860666071 /nfs/dbraw/zinc/66/60/71/860666071.db2.gz JNDMOSWBLPDDCP-GFCCVEGCSA-N 0 0 421.400 4.272 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1C(F)(F)F ZINC000435152764 860667618 /nfs/dbraw/zinc/66/76/18/860667618.db2.gz XJXLLEDBWCAJIY-UHFFFAOYSA-N 0 0 410.373 4.154 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)CO1 ZINC000435157299 860669170 /nfs/dbraw/zinc/66/91/70/860669170.db2.gz KYLLUAYCIGGMSM-KUHUBIRLSA-N 0 0 424.444 4.036 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(F)c(-c4nnc5n4CCCCC5)c3)CC2)c1 ZINC000435157200 860669174 /nfs/dbraw/zinc/66/91/74/860669174.db2.gz KJVFXAMXMNDXEO-UHFFFAOYSA-N 0 0 415.472 4.353 20 30 HIEDRN C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435165014 860673055 /nfs/dbraw/zinc/67/30/55/860673055.db2.gz IWAJVOLGWLLPOB-JTQLQIEISA-N 0 0 404.360 4.237 20 30 HIEDRN COc1cccc(C2=CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)c1 ZINC000435164660 860673287 /nfs/dbraw/zinc/67/32/87/860673287.db2.gz KGTPDMBYIBWTAB-UHFFFAOYSA-N 0 0 422.428 4.064 20 30 HIEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nc(C(C)(C)C)cs1 ZINC000435167780 860674590 /nfs/dbraw/zinc/67/45/90/860674590.db2.gz DUIZZQXXFUURHD-SNVBAGLBSA-N 0 0 417.478 4.371 20 30 HIEDRN COc1ccccc1NC(=O)c1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435186703 860685931 /nfs/dbraw/zinc/68/59/31/860685931.db2.gz NYYBGUGXMYUXOA-UHFFFAOYSA-N 0 0 411.461 4.489 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000467754968 881568804 /nfs/dbraw/zinc/56/88/04/881568804.db2.gz QJICHFOHZUUDPB-ZJMJOCHXSA-N 0 0 408.498 4.132 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)cc1C(F)(F)F ZINC000435200531 860693468 /nfs/dbraw/zinc/69/34/68/860693468.db2.gz AUSXPFHCCNOWFP-UHFFFAOYSA-N 0 0 413.396 4.117 20 30 HIEDRN Cc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CCC2)cc1C ZINC000435320736 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HIEDRN N#CCC[C@H](NC(=O)[C@H]1CCCN(c2ncnc3sccc32)C1)c1ccccc1 ZINC000439671852 865004491 /nfs/dbraw/zinc/00/44/91/865004491.db2.gz PZTZOSAWOLPJTC-HKUYNNGSSA-N 0 0 405.527 4.069 20 30 HIEDRN COc1cccc(-n2ccnc2SCC(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000439671724 865004914 /nfs/dbraw/zinc/00/49/14/865004914.db2.gz ILVVTQQQCVWTLA-HXUWFJFHSA-N 0 0 406.511 4.134 20 30 HIEDRN COc1ccc(-n2ccnc2SCC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000439672159 865005147 /nfs/dbraw/zinc/00/51/47/865005147.db2.gz JMRCTZBDGBNHQL-HXUWFJFHSA-N 0 0 406.511 4.134 20 30 HIEDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](CCC#N)c3ccccc3)C2)c1 ZINC000439673335 865006001 /nfs/dbraw/zinc/00/60/01/865006001.db2.gz MNHOCJSPXAYJJX-RBBKRZOGSA-N 0 0 404.514 4.400 20 30 HIEDRN CCCc1c(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cnn1-c1cccc(C#N)c1 ZINC000439675887 865009368 /nfs/dbraw/zinc/00/93/68/865009368.db2.gz TUEWZFOMAXRDPC-FQEVSTJZSA-N 0 0 414.513 4.415 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ccc(F)c(I)c1)c1ccccc1 ZINC000439675604 865009711 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423.517 4.034 20 30 HIEDRN Cc1cc(I)ccc1NC(=O)CSc1ccccc1C#N ZINC000439713645 865050233 /nfs/dbraw/zinc/05/02/33/865050233.db2.gz WHLLMPWXYAWOCI-UHFFFAOYSA-N 0 0 408.264 4.202 20 30 HIEDRN CS(=O)(=O)N(Cc1ccc(F)cc1C#N)c1ccc(Br)cc1Cl ZINC000439713832 865050983 /nfs/dbraw/zinc/05/09/83/865050983.db2.gz APIDIAQODRJERS-UHFFFAOYSA-N 0 0 417.687 4.079 20 30 HIEDRN C=CCN(C(=O)CCCc1cc(C)sc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000439741434 865074347 /nfs/dbraw/zinc/07/43/47/865074347.db2.gz DERINKUYBWIUAP-QGZVFWFLSA-N 0 0 409.559 4.439 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000439776783 865098917 /nfs/dbraw/zinc/09/89/17/865098917.db2.gz XSRVMMZOEWIWKE-GOSISDBHSA-N 0 0 410.352 4.414 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C3CCCCC3)C(F)(F)F)C2)n1 ZINC000439832310 865147446 /nfs/dbraw/zinc/14/74/46/865147446.db2.gz RMSIIOLYEYWDSH-ZWKOTPCHSA-N 0 0 408.468 4.106 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc2Cl)c1 ZINC000439837447 865149317 /nfs/dbraw/zinc/14/93/17/865149317.db2.gz ASBMACMKBPMKLE-KRWDZBQOSA-N 0 0 406.873 4.188 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)c1ccc(F)c(F)c1 ZINC000439852135 865162046 /nfs/dbraw/zinc/16/20/46/865162046.db2.gz BTKWCUMTTZHTOK-IBGZPJMESA-N 0 0 421.875 4.052 20 30 HIEDRN CC[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Oc1cccc(F)c1 ZINC000439868348 865175418 /nfs/dbraw/zinc/17/54/18/865175418.db2.gz WZIYKHICFFWMSY-LJQANCHMSA-N 0 0 405.429 4.472 20 30 HIEDRN C=CCOc1ccc(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cc1 ZINC000439908639 865218151 /nfs/dbraw/zinc/21/81/51/865218151.db2.gz IIKNMZUXBHFMDF-SFHVURJKSA-N 0 0 411.502 4.118 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000440059484 865331719 /nfs/dbraw/zinc/33/17/19/865331719.db2.gz FJUGURFCLWVWLU-SCLBCKFNSA-N 0 0 420.271 4.369 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)c(C)c1Br ZINC000440058236 865332439 /nfs/dbraw/zinc/33/24/39/865332439.db2.gz YIXDHIMNORGPLQ-UHFFFAOYSA-N 0 0 409.287 4.400 20 30 HIEDRN CCCc1c(NC(=O)CCCc2nc(C(C)(C)C)no2)cnn1-c1cccc(C#N)c1 ZINC000440071700 865337657 /nfs/dbraw/zinc/33/76/57/865337657.db2.gz CATVOLZKLPIYCM-UHFFFAOYSA-N 0 0 420.517 4.338 20 30 HIEDRN CCCc1c(NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440071163 865338570 /nfs/dbraw/zinc/33/85/70/865338570.db2.gz AGNWYJUYTCRNHF-MZNJEOGPSA-N 0 0 402.498 4.190 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3ccccc3F)n2)cnn1-c1cccc(C#N)c1 ZINC000440075176 865341960 /nfs/dbraw/zinc/34/19/60/865341960.db2.gz SIBDFTSMSLZDQR-UHFFFAOYSA-N 0 0 414.444 4.274 20 30 HIEDRN CCCc1c(NC(=O)c2cnn(-c3ccccc3C)c2)cnn1-c1cccc(C#N)c1 ZINC000440079495 865344853 /nfs/dbraw/zinc/34/48/53/865344853.db2.gz YKECRPBVZBGYQC-UHFFFAOYSA-N 0 0 410.481 4.443 20 30 HIEDRN CCCc1c(NC(=O)CCc2nc3c(cccc3C)[nH]2)cnn1-c1cccc(C#N)c1 ZINC000440081208 865345122 /nfs/dbraw/zinc/34/51/22/865345122.db2.gz RXQNABJKDUSHLG-UHFFFAOYSA-N 0 0 412.497 4.453 20 30 HIEDRN CCCc1c(NC(=O)c2cnc(-c3ccccn3)s2)cnn1-c1cccc(C#N)c1 ZINC000440081097 865346248 /nfs/dbraw/zinc/34/62/48/865346248.db2.gz PDZOAUARCZPBQI-UHFFFAOYSA-N 0 0 414.494 4.467 20 30 HIEDRN CCCc1c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cnn1-c1cccc(C#N)c1 ZINC000440085600 865348098 /nfs/dbraw/zinc/34/80/98/865348098.db2.gz BFIDNGYSLVEGQG-UHFFFAOYSA-N 0 0 403.442 4.094 20 30 HIEDRN CCCc1c(NC(=O)c2cc(OC)c(C)c(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440086742 865349750 /nfs/dbraw/zinc/34/97/50/865349750.db2.gz IIWJTUXZEUAAOX-UHFFFAOYSA-N 0 0 404.470 4.274 20 30 HIEDRN CCCc1c(NC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)cnn1-c1cccc(C#N)c1 ZINC000440087323 865350031 /nfs/dbraw/zinc/35/00/31/865350031.db2.gz JYJGFMSPCDRSJH-UHFFFAOYSA-N 0 0 419.485 4.070 20 30 HIEDRN CCCc1c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cnn1-c1cccc(C#N)c1 ZINC000440090487 865353076 /nfs/dbraw/zinc/35/30/76/865353076.db2.gz HDBUEHVUQJACHU-UHFFFAOYSA-N 0 0 413.481 4.364 20 30 HIEDRN CCCc1c(NC(=O)c2cccc(N3CCCC3=O)c2)cnn1-c1cccc(C#N)c1 ZINC000440105174 865362656 /nfs/dbraw/zinc/36/26/56/865362656.db2.gz RENNWVLQTKSCIJ-UHFFFAOYSA-N 0 0 413.481 4.076 20 30 HIEDRN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NCCc1cccc(C#N)c1 ZINC000440129073 865372279 /nfs/dbraw/zinc/37/22/79/865372279.db2.gz DGKLCUFSAWYGFE-UHFFFAOYSA-N 0 0 401.919 4.010 20 30 HIEDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000440255267 865500502 /nfs/dbraw/zinc/50/05/02/865500502.db2.gz NBXFRHYLQGUHEW-XZOQPEGZSA-N 0 0 407.514 4.431 20 30 HIEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C ZINC000440272074 865519598 /nfs/dbraw/zinc/51/95/98/865519598.db2.gz BBCFQPSXTAQNEU-KRWDZBQOSA-N 0 0 408.477 4.097 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000440274487 865522455 /nfs/dbraw/zinc/52/24/55/865522455.db2.gz UQXVCCRYMYUYEX-CQSZACIVSA-N 0 0 418.291 4.046 20 30 HIEDRN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000440321568 865593559 /nfs/dbraw/zinc/59/35/59/865593559.db2.gz AVMOTRRFLUVEIL-QFIPXVFZSA-N 0 0 405.498 4.370 20 30 HIEDRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000440484707 865789222 /nfs/dbraw/zinc/78/92/22/865789222.db2.gz LBSWRZMQNLDCAD-GOSISDBHSA-N 0 0 413.477 4.427 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)Nc2csc3ccccc23)cc1 ZINC000440486425 865789398 /nfs/dbraw/zinc/78/93/98/865789398.db2.gz LQPSJCFAPNFNJG-UHFFFAOYSA-N 0 0 419.506 4.293 20 30 HIEDRN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000440489558 865791973 /nfs/dbraw/zinc/79/19/73/865791973.db2.gz STXLVVZCSJCCPS-CVEARBPZSA-N 0 0 419.616 4.257 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000440566354 865820747 /nfs/dbraw/zinc/82/07/47/865820747.db2.gz ZLUQEDCMYGCVTD-UHFFFAOYSA-N 0 0 405.376 4.027 20 30 HIEDRN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000440588876 865826765 /nfs/dbraw/zinc/82/67/65/865826765.db2.gz CBYHVDBXZRGEEU-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C#N)c(C)c1C ZINC000440606966 865834856 /nfs/dbraw/zinc/83/48/56/865834856.db2.gz AIDIFUGQZFIWFK-QGZVFWFLSA-N 0 0 405.527 4.034 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000440611168 865837327 /nfs/dbraw/zinc/83/73/27/865837327.db2.gz IXEUPXAPDJVALL-FOIQADDNSA-N 0 0 416.905 4.126 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440619605 865842622 /nfs/dbraw/zinc/84/26/22/865842622.db2.gz WNGWHJBNKIJQSU-QGZVFWFLSA-N 0 0 401.422 4.467 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000440619602 865842639 /nfs/dbraw/zinc/84/26/39/865842639.db2.gz WNGWHJBNKIJQSU-KRWDZBQOSA-N 0 0 401.422 4.467 20 30 HIEDRN COc1cccc(-c2nc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)cs2)c1 ZINC000440620616 865843403 /nfs/dbraw/zinc/84/34/03/865843403.db2.gz GPZNXLAYGINAFQ-QFIPXVFZSA-N 0 0 404.539 4.201 20 30 HIEDRN Cc1cc(-c2noc([C@@H](C)N3CCN([C@H](C#N)c4ccccc4)CC3)n2)ccc1F ZINC000440623545 865844592 /nfs/dbraw/zinc/84/45/92/865844592.db2.gz HDGSYWDCTHAVIK-DYESRHJHSA-N 0 0 405.477 4.128 20 30 HIEDRN Cn1ccnc1C[C@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440651858 865856918 /nfs/dbraw/zinc/85/69/18/865856918.db2.gz LJZATYRPQXLCLL-CQSZACIVSA-N 0 0 410.319 4.062 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](OCc2ccncc2)C1 ZINC000440654333 865857835 /nfs/dbraw/zinc/85/78/35/865857835.db2.gz RYHJFUCILPQKJG-INIZCTEOSA-N 0 0 409.287 4.059 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1NCCC(=O)NC1CCCCC1 ZINC000440676052 865862843 /nfs/dbraw/zinc/86/28/43/865862843.db2.gz MDTBRXZLXITELR-UHFFFAOYSA-N 0 0 401.308 4.120 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000440712630 865872554 /nfs/dbraw/zinc/87/25/54/865872554.db2.gz AHOIPBRYOIQHIV-UHFFFAOYSA-N 0 0 404.495 4.079 20 30 HIEDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000440728019 865877939 /nfs/dbraw/zinc/87/79/39/865877939.db2.gz CRWJPIZNLGGXPE-LIRRHRJNSA-N 0 0 413.315 4.245 20 30 HIEDRN CN1CCCN(CC(=O)Nc2ccccc2SCC#N)c2cc(Cl)ccc21 ZINC000440727981 865878017 /nfs/dbraw/zinc/87/80/17/865878017.db2.gz SHWSWKLQLOEFBU-UHFFFAOYSA-N 0 0 400.935 4.241 20 30 HIEDRN Cc1ccccc1CN(CC(=O)Nc1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000440738301 865883057 /nfs/dbraw/zinc/88/30/57/865883057.db2.gz PUBNYMKPQMTYLH-UHFFFAOYSA-N 0 0 411.465 4.094 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000440776874 865902722 /nfs/dbraw/zinc/90/27/22/865902722.db2.gz WFVRQSADSKHFRY-UHFFFAOYSA-N 0 0 415.931 4.170 20 30 HIEDRN CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000440780325 865904603 /nfs/dbraw/zinc/90/46/03/865904603.db2.gz HBFDMDGGMLJXAU-UHFFFAOYSA-N 0 0 407.451 4.398 20 30 HIEDRN C=CCNc1nnc(SCc2ccnc(-c3ccc(Br)cc3)n2)s1 ZINC000440780055 865905128 /nfs/dbraw/zinc/90/51/28/865905128.db2.gz PADFAAZBXYXXRJ-UHFFFAOYSA-N 0 0 420.361 4.648 20 30 HIEDRN C=CCn1c(SCc2nc(-c3ccc(C)c(OC)c3)no2)nc2ccccc2c1=O ZINC000440790795 865914435 /nfs/dbraw/zinc/91/44/35/865914435.db2.gz MDORUPPPRJQIAS-UHFFFAOYSA-N 0 0 420.494 4.242 20 30 HIEDRN CN1C(=O)COc2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)cc21 ZINC000440823848 865939415 /nfs/dbraw/zinc/93/94/15/865939415.db2.gz GLXPXIYJFXOPQU-UHFFFAOYSA-N 0 0 417.396 4.097 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@H](C)CO[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000440841876 865953103 /nfs/dbraw/zinc/95/31/03/865953103.db2.gz FBBFGFUTEZYPOS-OLMNPRSZSA-N 0 0 400.441 4.206 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCC[C@]12CCCCO2 ZINC000468109182 881925009 /nfs/dbraw/zinc/92/50/09/881925009.db2.gz IVVLOELDAMUEIX-IEBWSBKVSA-N 0 0 420.282 4.137 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCC[C@]12CCCCO2 ZINC000468109184 881927517 /nfs/dbraw/zinc/92/75/17/881927517.db2.gz IVVLOELDAMUEIX-PKOBYXMFSA-N 0 0 420.282 4.137 20 30 HIEDRN CN(C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C1CCC(C)(C)CC1 ZINC000440927763 866024942 /nfs/dbraw/zinc/02/49/42/866024942.db2.gz VOVAQJMMBKOIEW-UHFFFAOYSA-N 0 0 406.486 4.111 20 30 HIEDRN N#CC1CCC(CNC(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000440935412 866033706 /nfs/dbraw/zinc/03/37/06/866033706.db2.gz KCCBSBHXMFFFAL-UHFFFAOYSA-N 0 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C=CCC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cc1 ZINC000441566629 866646142 /nfs/dbraw/zinc/64/61/42/866646142.db2.gz ORKGSOBOLGANSX-INIZCTEOSA-N 0 0 404.388 4.474 20 30 HIEDRN C=CCC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000441581652 866668447 /nfs/dbraw/zinc/66/84/47/866668447.db2.gz SKUTYTNIWFZMHC-SFHVURJKSA-N 0 0 406.404 4.007 20 30 HIEDRN Cc1nc2ccccc2c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1C(C)C ZINC000441581139 866668893 /nfs/dbraw/zinc/66/88/93/866668893.db2.gz PLUCPNSOWVUYHY-UHFFFAOYSA-N 0 0 402.498 4.249 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1C(F)(F)F ZINC000441587004 866677777 /nfs/dbraw/zinc/67/77/77/866677777.db2.gz FYIBLEDCMZRTON-QGZVFWFLSA-N 0 0 421.806 4.436 20 30 HIEDRN N#C[C@@H]1N(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCC[C@]12CCCCO2 ZINC000468147115 882006464 /nfs/dbraw/zinc/00/64/64/882006464.db2.gz SFBZBRQKBUMDST-FUHWJXTLSA-N 0 0 417.720 4.479 20 30 HIEDRN CN(Cc1ccccc1NC(=O)NCC1CCC(C#N)CC1)C(=O)c1cccs1 ZINC000441648317 866758080 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HIEDRN C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1)C1CC1 ZINC000441906966 866971484 /nfs/dbraw/zinc/97/14/84/866971484.db2.gz BECPUJYSANJFCR-HNNXBMFYSA-N 0 0 411.889 4.008 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ccc(C(C)=O)cc1OC ZINC000441935933 867001640 /nfs/dbraw/zinc/00/16/40/867001640.db2.gz WWVPMAGSLIRAJQ-MRXNPFEDSA-N 0 0 412.511 4.334 20 30 HIEDRN Cc1cccc2c(CCNC(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)c[nH]c21 ZINC000441948583 867012770 /nfs/dbraw/zinc/01/27/70/867012770.db2.gz KHVVQHUTTZMESR-INIZCTEOSA-N 0 0 420.538 4.168 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CCCC2)ccc1Cl ZINC000441950491 867015629 /nfs/dbraw/zinc/01/56/29/867015629.db2.gz AIAUOVXRICECCS-UHFFFAOYSA-N 0 0 413.880 4.303 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC000441975440 867037283 /nfs/dbraw/zinc/03/72/83/867037283.db2.gz KFKWVRLTOYVGPG-UHFFFAOYSA-N 0 0 413.880 4.303 20 30 HIEDRN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441996697 867051975 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421.375 4.376 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(OC)c1)c1ccc(C(F)(F)F)cc1 ZINC000442051566 867085105 /nfs/dbraw/zinc/08/51/05/867085105.db2.gz OKQONNSJOJQAEW-SFHVURJKSA-N 0 0 406.404 4.476 20 30 HIEDRN CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)o1 ZINC000442058861 867091355 /nfs/dbraw/zinc/09/13/55/867091355.db2.gz HVNGDRBGYLPFEO-HNNXBMFYSA-N 0 0 409.364 4.218 20 30 HIEDRN N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CCO1 ZINC000442066539 867096724 /nfs/dbraw/zinc/09/67/24/867096724.db2.gz RTRWMAJRJNSHSI-HNNXBMFYSA-N 0 0 420.238 4.137 20 30 HIEDRN COc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1NC(C)=O ZINC000442076288 867105868 /nfs/dbraw/zinc/10/58/68/867105868.db2.gz IDWWYMWIDQXSIK-UHFFFAOYSA-N 0 0 408.336 4.068 20 30 HIEDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442080364 867109340 /nfs/dbraw/zinc/10/93/40/867109340.db2.gz OEGRMGRQPSUEGH-QGZVFWFLSA-N 0 0 407.392 4.178 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)[C@H](C)C1CCC1 ZINC000442086981 867114934 /nfs/dbraw/zinc/11/49/34/867114934.db2.gz UZUOKZAMJXJBEF-QGZVFWFLSA-N 0 0 405.498 4.031 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)C2CCCCC2)cc1 ZINC000442093886 867121030 /nfs/dbraw/zinc/12/10/30/867121030.db2.gz RFFYLNZUZJJDHM-MRXNPFEDSA-N 0 0 421.497 4.383 20 30 HIEDRN N#Cc1cc(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)ccc1OC(F)(F)F ZINC000442095019 867123232 /nfs/dbraw/zinc/12/32/32/867123232.db2.gz YLSGNQWKPBCGPI-GOSISDBHSA-N 0 0 419.403 4.361 20 30 HIEDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)o1 ZINC000442126932 867148818 /nfs/dbraw/zinc/14/88/18/867148818.db2.gz GTYLCDUMKCXXDJ-OXQOHEQNSA-N 0 0 409.486 4.209 20 30 HIEDRN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)o1 ZINC000442126036 867149039 /nfs/dbraw/zinc/14/90/39/867149039.db2.gz GDBHQIQPFBRMNJ-HNAYVOBHSA-N 0 0 409.486 4.185 20 30 HIEDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)o1 ZINC000442126035 867149264 /nfs/dbraw/zinc/14/92/64/867149264.db2.gz GDBHQIQPFBRMNJ-DNVCBOLYSA-N 0 0 409.486 4.185 20 30 HIEDRN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000442159758 867181375 /nfs/dbraw/zinc/18/13/75/867181375.db2.gz ZRRWYXSMXBFDMW-OWCLPIDISA-N 0 0 405.589 4.152 20 30 HIEDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000442170856 867193659 /nfs/dbraw/zinc/19/36/59/867193659.db2.gz HSCBHYZQWWCPAK-LPHOPBHVSA-N 0 0 406.486 4.111 20 30 HIEDRN C=CCCN(C)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000468182726 882058623 /nfs/dbraw/zinc/05/86/23/882058623.db2.gz JUSKPXLDLKMTFU-VWNXMTODSA-N 0 0 422.525 4.223 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)ccc1OC(F)(F)F ZINC000442194879 867216694 /nfs/dbraw/zinc/21/66/94/867216694.db2.gz NUDUYHQDWQXRJM-KRWDZBQOSA-N 0 0 409.339 4.201 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)c1ccccc1 ZINC000442203473 867226202 /nfs/dbraw/zinc/22/62/02/867226202.db2.gz CMAXSKJQTWRMJO-OAQYLSRUSA-N 0 0 407.514 4.088 20 30 HIEDRN CN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(C1CC1)C1CC1 ZINC000442203264 867226363 /nfs/dbraw/zinc/22/63/63/867226363.db2.gz UYCVLAOVALQQKF-UHFFFAOYSA-N 0 0 407.445 4.075 20 30 HIEDRN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442203367 867226609 /nfs/dbraw/zinc/22/66/09/867226609.db2.gz VTESOOFSZADEGA-UHFFFAOYSA-N 0 0 407.348 4.240 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1C#N ZINC000442220254 867247148 /nfs/dbraw/zinc/24/71/48/867247148.db2.gz IVIFRNZYUCCCLU-JOCHJYFZSA-N 0 0 411.461 4.112 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2cnn(Cc3ccccc3)c2)ccc1OC(F)(F)F ZINC000442221724 867248336 /nfs/dbraw/zinc/24/83/36/867248336.db2.gz BCSUIVAWLGTTGT-UHFFFAOYSA-N 0 0 415.375 4.023 20 30 HIEDRN N#Cc1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1OC(F)(F)F ZINC000442229662 867262296 /nfs/dbraw/zinc/26/22/96/867262296.db2.gz NOTIUGQJYUWFDI-UHFFFAOYSA-N 0 0 424.322 4.362 20 30 HIEDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[C@H]1c1ccccc1 ZINC000442244299 867283707 /nfs/dbraw/zinc/28/37/07/867283707.db2.gz XYGLUEQJVIEHSM-IEBWSBKVSA-N 0 0 407.539 4.283 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCC[C@H]4CCC[C@H]43)c2)cc1 ZINC000442276677 867300090 /nfs/dbraw/zinc/30/00/90/867300090.db2.gz AFZVCUVQHVTSRL-NFBKMPQASA-N 0 0 417.509 4.061 20 30 HIEDRN CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000442287746 867308961 /nfs/dbraw/zinc/30/89/61/867308961.db2.gz WDXPYRURLNQNRX-DYESRHJHSA-N 0 0 405.498 4.060 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000442306890 867316682 /nfs/dbraw/zinc/31/66/82/867316682.db2.gz MAOSIJLZYYRXDL-PXNSSMCTSA-N 0 0 419.481 4.089 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000442306234 867317225 /nfs/dbraw/zinc/31/72/25/867317225.db2.gz PIQGLKWBOZIKSY-WMZHIEFXSA-N 0 0 417.509 4.061 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000442318302 867324187 /nfs/dbraw/zinc/32/41/87/867324187.db2.gz SFNCLWQEKJVLOX-CYBMUJFWSA-N 0 0 419.403 4.202 20 30 HIEDRN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000442352253 867341350 /nfs/dbraw/zinc/34/13/50/867341350.db2.gz OYTHGKYMINEOET-UHFFFAOYSA-N 0 0 405.882 4.106 20 30 HIEDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000442364417 867350319 /nfs/dbraw/zinc/35/03/19/867350319.db2.gz OSNFDBGLHDNPJR-KKSFZXQISA-N 0 0 409.461 4.056 20 30 HIEDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000442369368 867355779 /nfs/dbraw/zinc/35/57/79/867355779.db2.gz KPLQHHXZHQRWSL-KPZWWZAWSA-N 0 0 419.378 4.264 20 30 HIEDRN N#Cc1cc(C(=O)N(Cc2ccncc2)c2ccc(F)c(Br)c2)ccn1 ZINC000442406852 867382907 /nfs/dbraw/zinc/38/29/07/867382907.db2.gz HJQGHEKPKBHTTP-UHFFFAOYSA-N 0 0 411.234 4.097 20 30 HIEDRN C=CCN(C(=O)C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000442408884 867384798 /nfs/dbraw/zinc/38/47/98/867384798.db2.gz OVPCGPSIOBZENO-UHFFFAOYSA-N 0 0 411.207 4.050 20 30 HIEDRN Cc1sc(Br)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1C ZINC000442416751 867390157 /nfs/dbraw/zinc/39/01/57/867390157.db2.gz HWOZKUGBOVVGRT-MRXNPFEDSA-N 0 0 418.360 4.150 20 30 HIEDRN Cc1nc(-c2ccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)cs1 ZINC000442423426 867394302 /nfs/dbraw/zinc/39/43/02/867394302.db2.gz KKYJUTSFWRKYRE-UHFFFAOYSA-N 0 0 416.550 4.338 20 30 HIEDRN C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)Sc1ccccc1 ZINC000442425004 867395109 /nfs/dbraw/zinc/39/51/09/867395109.db2.gz YEPZFJSJZSPKDF-JKSUJKDBSA-N 0 0 413.568 4.174 20 30 HIEDRN N#Cc1ccc(CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C2CC2)cc1 ZINC000442466529 867450192 /nfs/dbraw/zinc/45/01/92/867450192.db2.gz VSELCEIFNWQFEA-UHFFFAOYSA-N 0 0 421.806 4.360 20 30 HIEDRN CC[C@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000442492423 867475996 /nfs/dbraw/zinc/47/59/96/867475996.db2.gz FMENSJNHDGKMGQ-ZWKOTPCHSA-N 0 0 407.514 4.211 20 30 HIEDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000442511741 867489374 /nfs/dbraw/zinc/48/93/74/867489374.db2.gz FAOSROPIOFJQEH-NRFANRHFSA-N 0 0 415.415 4.139 20 30 HIEDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000442515389 867493355 /nfs/dbraw/zinc/49/33/55/867493355.db2.gz JFPIWMRXWCRDTD-QHCPKHFHSA-N 0 0 407.539 4.255 20 30 HIEDRN CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000442533236 867507695 /nfs/dbraw/zinc/50/76/95/867507695.db2.gz GAKHLFZTFQUCGY-FYYLOGMGSA-N 0 0 419.525 4.384 20 30 HIEDRN CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000442533240 867508223 /nfs/dbraw/zinc/50/82/23/867508223.db2.gz GAKHLFZTFQUCGY-GGAORHGYSA-N 0 0 419.525 4.384 20 30 HIEDRN CSc1ccccc1[C@H](C)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000442580276 867542216 /nfs/dbraw/zinc/54/22/16/867542216.db2.gz NOLFOWDXTDSODB-ZLPCBKJTSA-N 0 0 410.543 4.426 20 30 HIEDRN COc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc(OC)c1OC(F)F ZINC000442631246 867573355 /nfs/dbraw/zinc/57/33/55/867573355.db2.gz YVQQYXDDLFVEHA-LLVKDONJSA-N 0 0 416.302 4.209 20 30 HIEDRN CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000442696072 867631928 /nfs/dbraw/zinc/63/19/28/867631928.db2.gz SIZJRTDLBXOYJC-UHFFFAOYSA-N 0 0 417.431 4.390 20 30 HIEDRN CC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000442702253 867634762 /nfs/dbraw/zinc/63/47/62/867634762.db2.gz ZIWWEPRIXLSWHU-VWLOTQADSA-N 0 0 419.525 4.309 20 30 HIEDRN CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000442718501 867644687 /nfs/dbraw/zinc/64/46/87/867644687.db2.gz HIZFGJKUXGLNRA-MQBCKMQZSA-N 0 0 406.324 4.244 20 30 HIEDRN COc1cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccc1C#N ZINC000442836952 867693731 /nfs/dbraw/zinc/69/37/31/867693731.db2.gz JBRIMNUHSWJDLD-IBGZPJMESA-N 0 0 405.267 4.042 20 30 HIEDRN Cc1cc(-n2cncn2)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000442867939 867704446 /nfs/dbraw/zinc/70/44/46/867704446.db2.gz GAFUTYKEDOAQPY-LJQANCHMSA-N 0 0 410.462 4.061 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000442895487 867726436 /nfs/dbraw/zinc/72/64/36/867726436.db2.gz FCRUDQYMBSAYIV-UHFFFAOYSA-N 0 0 407.948 4.023 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000442897410 867727721 /nfs/dbraw/zinc/72/77/21/867727721.db2.gz FAULEHRPCLVMIX-MRXNPFEDSA-N 0 0 413.568 4.312 20 30 HIEDRN COc1ccc([C@H](CNC(=O)c2ccc(C#N)c(O)c2)c2c[nH]c3ccccc32)cc1 ZINC000442898423 867727746 /nfs/dbraw/zinc/72/77/46/867727746.db2.gz OJEWBTTZSOMNER-NRFANRHFSA-N 0 0 411.461 4.316 20 30 HIEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000442897568 867728915 /nfs/dbraw/zinc/72/89/15/867728915.db2.gz IBPPNOBWVHKZML-HXUWFJFHSA-N 0 0 417.487 4.245 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)ccc1OC(F)(F)F ZINC000442930759 867747405 /nfs/dbraw/zinc/74/74/05/867747405.db2.gz FRGBTPBKRJUELH-UHFFFAOYSA-N 0 0 413.359 4.372 20 30 HIEDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443019742 867794161 /nfs/dbraw/zinc/79/41/61/867794161.db2.gz LEVYLRBHWLDXDD-GFCCVEGCSA-N 0 0 400.397 4.488 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443038296 867799047 /nfs/dbraw/zinc/79/90/47/867799047.db2.gz PSENDEVRZLIGOJ-UHFFFAOYSA-N 0 0 407.417 4.048 20 30 HIEDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(-c2ccccc2)cs1 ZINC000443069207 867809856 /nfs/dbraw/zinc/80/98/56/867809856.db2.gz MEUNDNJCZJIBNK-LBPRGKRZSA-N 0 0 403.916 4.375 20 30 HIEDRN N#CCCCCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443106095 867821403 /nfs/dbraw/zinc/82/14/03/867821403.db2.gz VRGZBOXRWOYYLW-OAHLLOKOSA-N 0 0 418.295 4.039 20 30 HIEDRN COc1cc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)ccc1OC(C)C ZINC000443111377 867824228 /nfs/dbraw/zinc/82/42/28/867824228.db2.gz UBWXYAISSHRPHK-ZDUSSCGKSA-N 0 0 408.907 4.047 20 30 HIEDRN CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000443150730 867843818 /nfs/dbraw/zinc/84/38/18/867843818.db2.gz CQUMIHBKDJBRSZ-UHFFFAOYSA-N 0 0 419.403 4.009 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)c1cc2ccccc2o1)[C@@H](C)c1cccc(-n2cnnn2)c1 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N#Cc1ccc(CSc2nnc(NCc3coc(-c4ccccc4)n3)s2)cc1 ZINC000447958135 871824028 /nfs/dbraw/zinc/82/40/28/871824028.db2.gz FBWZZFOIWQPTBS-UHFFFAOYSA-N 0 0 405.508 4.969 20 30 HIEDRN N#Cc1ccc(CNc2cc(Br)cc(C(=O)N3CCCC3)c2)c(F)c1 ZINC000447979550 871832707 /nfs/dbraw/zinc/83/27/07/871832707.db2.gz UGWDCKRGXIPSME-UHFFFAOYSA-N 0 0 402.267 4.308 20 30 HIEDRN CC(C)[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000468530249 882552279 /nfs/dbraw/zinc/55/22/79/882552279.db2.gz JCCWNCONOVCKMC-UGKGYDQZSA-N 0 0 412.484 4.081 20 30 HIEDRN CC(C)(C)[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCO1 ZINC000448014161 871856968 /nfs/dbraw/zinc/85/69/68/871856968.db2.gz NQUAYZOWAIKUBJ-FQEVSTJZSA-N 0 0 406.486 4.089 20 30 HIEDRN COc1cc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)ccc1C(F)(F)F ZINC000448063491 871889854 /nfs/dbraw/zinc/88/98/54/871889854.db2.gz AKQYBTDMDBNWEJ-GOSISDBHSA-N 0 0 405.376 4.191 20 30 HIEDRN C=CCN(C(=O)c1cnnn1-c1cccc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000448096507 871935351 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HIEDRN N#C[C@@H]1N(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CCC[C@]12CCCCO2 ZINC000448262169 872187429 /nfs/dbraw/zinc/18/74/29/872187429.db2.gz VIQBMEDPWIHYPV-PKOBYXMFSA-N 0 0 406.317 4.001 20 30 HIEDRN CC(=O)c1ccc(SCC(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1F ZINC000468550399 882593126 /nfs/dbraw/zinc/59/31/26/882593126.db2.gz ZURLWSKNZKFLQG-UHFFFAOYSA-N 0 0 405.335 4.464 20 30 HIEDRN C=CCN(C(=O)c1ccccc1CSCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000448350733 872299005 /nfs/dbraw/zinc/29/90/05/872299005.db2.gz KKOOYWMJJOADMU-KRWDZBQOSA-N 0 0 407.543 4.305 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)cc1C#N ZINC000448407367 872360174 /nfs/dbraw/zinc/36/01/74/872360174.db2.gz OAOZAUSCGYRFKJ-NHCUHLMSSA-N 0 0 405.498 4.285 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000448436359 872382235 /nfs/dbraw/zinc/38/22/35/872382235.db2.gz DLHFLTSBYPBBQJ-FQEVSTJZSA-N 0 0 421.472 4.070 20 30 HIEDRN CCCC1(CNC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000468564067 882618574 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C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(Cc2c[nH]c3ccccc23)n1CC ZINC000460198588 872774561 /nfs/dbraw/zinc/77/45/61/872774561.db2.gz XKHSTGGWPOGWTQ-UHFFFAOYSA-N 0 0 416.485 4.471 20 30 HIEDRN CCn1c(Cc2ccc(Cl)cc2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460209638 872791917 /nfs/dbraw/zinc/79/19/17/872791917.db2.gz KLJVIIBZPPETHM-UHFFFAOYSA-N 0 0 409.921 4.067 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2cc(Br)ccc2C1 ZINC000460208907 872792546 /nfs/dbraw/zinc/79/25/46/872792546.db2.gz DKIAOLNZYPMCBO-UHFFFAOYSA-N 0 0 408.303 4.162 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460232933 872820158 /nfs/dbraw/zinc/82/01/58/872820158.db2.gz FPQDPXWTIAYSHX-UHFFFAOYSA-N 0 0 411.792 4.482 20 30 HIEDRN CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC000460247392 872835065 /nfs/dbraw/zinc/83/50/65/872835065.db2.gz SZUCWOBXKXDYEU-UHFFFAOYSA-N 0 0 420.948 4.131 20 30 HIEDRN C[S@@](=O)Cc1ccccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000460261778 872851714 /nfs/dbraw/zinc/85/17/14/872851714.db2.gz 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CCn1c(-c2cccc(OC)c2OC)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460294186 872884483 /nfs/dbraw/zinc/88/44/83/872884483.db2.gz USTWMEWOTXARRQ-UHFFFAOYSA-N 0 0 403.486 4.023 20 30 HIEDRN Cc1nc(SCC(=O)N2CCCN(C)c3ccc(Cl)cc32)c(C#N)c(C)c1C ZINC000460315617 872902695 /nfs/dbraw/zinc/90/26/95/872902695.db2.gz XXGXXXPSJOUOKV-UHFFFAOYSA-N 0 0 414.962 4.497 20 30 HIEDRN CC(=O)Nc1nc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)cs1 ZINC000460338583 872947632 /nfs/dbraw/zinc/94/76/32/872947632.db2.gz JCOVLHZJFDQBGW-UHFFFAOYSA-N 0 0 410.886 4.474 20 30 HIEDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000460339846 872949029 /nfs/dbraw/zinc/94/90/29/872949029.db2.gz GCLNFSHGAKGVLT-KRWDZBQOSA-N 0 0 401.466 4.463 20 30 HIEDRN CC[C@H](NC(=O)N1CCN(c2snc(C)c2C#N)CC1)c1ccc(Cl)s1 ZINC000460339201 872950363 /nfs/dbraw/zinc/95/03/63/872950363.db2.gz NOHCNKDCFCABOK-ZDUSSCGKSA-N 0 0 409.968 4.021 20 30 HIEDRN COCCN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc(C#N)cc1 ZINC000460353148 872973504 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HIEDRN N#Cc1cccc(-c2nnc(N(CCO)Cc3ccccc3)n2CCc2ccccc2)c1 ZINC000460447722 873119452 /nfs/dbraw/zinc/11/94/52/873119452.db2.gz VHCYZFGSJRDWMV-UHFFFAOYSA-N 0 0 423.520 4.058 20 30 HIEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)[C@@H](C)[C@@H](C)O1 ZINC000460448286 873119685 /nfs/dbraw/zinc/11/96/85/873119685.db2.gz LTVHBSNZWUNKPB-CEXWTWQISA-N 0 0 401.514 4.062 20 30 HIEDRN N#Cc1ccc(CN(c2nnc([C@H]3CCCO3)n2CCc2ccccc2)C2CC2)cc1 ZINC000460453344 873128999 /nfs/dbraw/zinc/12/89/99/873128999.db2.gz ISRQMTIWKGPTLU-HSZRJFAPSA-N 0 0 413.525 4.413 20 30 HIEDRN COC(=O)c1ccccc1N(C(=O)CCCOc1ccc(C#N)cc1OC)C1CCC1 ZINC000460460615 873140459 /nfs/dbraw/zinc/14/04/59/873140459.db2.gz VZPARWVOMXZEQK-UHFFFAOYSA-N 0 0 422.481 4.098 20 30 HIEDRN O=C(Nc1ccc(F)cc1OC(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000460497878 873183685 /nfs/dbraw/zinc/18/36/85/873183685.db2.gz NXDHZMQYEKAASC-UHFFFAOYSA-N 0 0 412.261 4.354 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000460503649 873190013 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DIGBNWKCRXZJGG-UHFFFAOYSA-N 0 0 408.323 4.335 20 30 HIEDRN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[C@H]1c1ccccc1 ZINC000460651569 873392416 /nfs/dbraw/zinc/39/24/16/873392416.db2.gz YJFLXCXKRWXSFG-PGRDOPGGSA-N 0 0 410.539 4.030 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000460657067 873399240 /nfs/dbraw/zinc/39/92/40/873399240.db2.gz RMNYXWBHNFBPQR-HSZRJFAPSA-N 0 0 407.489 4.491 20 30 HIEDRN N#C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000460674092 873420555 /nfs/dbraw/zinc/42/05/55/873420555.db2.gz QOHLQZZGMOGXGP-AWEZNQCLSA-N 0 0 400.763 4.076 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1cccs1)C1CC1 ZINC000460675339 873422193 /nfs/dbraw/zinc/42/21/93/873422193.db2.gz KNORVHJQMSPQSO-UHFFFAOYSA-N 0 0 407.543 4.474 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(OC)ccc(SC)c1OC ZINC000460681287 873431127 /nfs/dbraw/zinc/43/11/27/873431127.db2.gz QENCKUBXLLJLKN-UHFFFAOYSA-N 0 0 402.472 4.162 20 30 HIEDRN 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Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCO2)c1C ZINC000461086374 873999074 /nfs/dbraw/zinc/99/90/74/873999074.db2.gz HDDBJBIUUSETAW-PZJWPPBQSA-N 0 0 423.561 4.344 20 30 HIEDRN N#C[C@@H]1N(C(=O)COc2ccccc2OCc2ccccc2)CCC[C@@]12CCCCO2 ZINC000468646833 882782515 /nfs/dbraw/zinc/78/25/15/882782515.db2.gz GDHJFECNFFMCCS-ZCYQVOJMSA-N 0 0 420.509 4.098 20 30 HIEDRN Cc1ccc(Br)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000461095620 874011826 /nfs/dbraw/zinc/01/18/26/874011826.db2.gz DOVWMHDJUXYRJZ-INIZCTEOSA-N 0 0 416.294 4.167 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000461096816 874014989 /nfs/dbraw/zinc/01/49/89/874014989.db2.gz CMZZXJMUIRILCW-CYBMUJFWSA-N 0 0 414.918 4.374 20 30 HIEDRN COc1cccc(OC)c1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000461099381 874017544 /nfs/dbraw/zinc/01/75/44/874017544.db2.gz FGAMSKNWGMVRTB-FQEVSTJZSA-N 0 0 402.450 4.277 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461128125 874060085 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HIEDRN COc1cccc(Nc2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)c1 ZINC000461313332 874321458 /nfs/dbraw/zinc/32/14/58/874321458.db2.gz VQFXFIXLHXBOGI-UHFFFAOYSA-N 0 0 417.494 4.591 20 30 HIEDRN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C ZINC000461320289 874329032 /nfs/dbraw/zinc/32/90/32/874329032.db2.gz XZOQCKSWYDKBOE-UHFFFAOYSA-N 0 0 421.460 4.239 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000461324277 874335039 /nfs/dbraw/zinc/33/50/39/874335039.db2.gz RAFKCYDFFHBLNF-UHFFFAOYSA-N 0 0 418.888 4.474 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC1 ZINC000461365211 874368411 /nfs/dbraw/zinc/36/84/11/874368411.db2.gz JYQWGCHZANGCMD-IBGZPJMESA-N 0 0 419.485 4.082 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c(OC(F)F)ccc2ccccc21 ZINC000461412769 874431599 /nfs/dbraw/zinc/43/15/99/874431599.db2.gz HHPCWJVYLLHGNM-UHFFFAOYSA-N 0 0 405.408 4.814 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2ncccc2C)n1C[C@H]1CCOC1 ZINC000461424592 874455402 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20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3CN3CCOCC3)cc2)cc1 ZINC000468747665 882841232 /nfs/dbraw/zinc/84/12/32/882841232.db2.gz YSRFPKPPUFTNIH-UHFFFAOYSA-N 0 0 413.477 4.435 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461509256 874586410 /nfs/dbraw/zinc/58/64/10/874586410.db2.gz ABOQLTDDHPTKMC-FQEVSTJZSA-N 0 0 419.504 4.407 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCOC1 ZINC000461528252 874612351 /nfs/dbraw/zinc/61/23/51/874612351.db2.gz IQOAQQVQPZPKHD-HNNXBMFYSA-N 0 0 405.340 4.147 20 30 HIEDRN CCC(CC)(CNC(=O)c1ncc(C#N)cc1Cl)c1ccc(OC)c(OC)c1 ZINC000461528568 874614090 /nfs/dbraw/zinc/61/40/90/874614090.db2.gz JOBIRJNDWCLOBU-UHFFFAOYSA-N 0 0 401.894 4.112 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC1 ZINC000461529666 874615293 /nfs/dbraw/zinc/61/52/93/874615293.db2.gz BINIMQQVWVMDMP-DLBZAZTESA-N 0 0 402.926 4.286 20 30 HIEDRN Cc1ccc(C[C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)cc1 ZINC000461538753 874625646 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ZINC000461605893 874741804 /nfs/dbraw/zinc/74/18/04/874741804.db2.gz SQPLJCVEEAZIHF-DOTOQJQBSA-N 0 0 423.467 4.329 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@@H]1CCOC1 ZINC000461605889 874741982 /nfs/dbraw/zinc/74/19/82/874741982.db2.gz SQESYSAATPBYIP-FKBYEOEOSA-N 0 0 424.589 4.426 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@H]2CCOC2)c1 ZINC000461607115 874744758 /nfs/dbraw/zinc/74/47/58/874744758.db2.gz VKARAVDHPBHNHT-QGZVFWFLSA-N 0 0 419.916 4.069 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC000461609787 874752421 /nfs/dbraw/zinc/75/24/21/874752421.db2.gz BJZWVZJEOHOODO-FPOVZHCZSA-N 0 0 405.546 4.424 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc(CC4CCCC4)n3C[C@@H]3CCOC3)CC2)cc1 ZINC000461623248 874775875 /nfs/dbraw/zinc/77/58/75/874775875.db2.gz DYZXOLJTGKRDBZ-NRFANRHFSA-N 0 0 417.557 4.213 20 30 HIEDRN C[C@@H](C1CCCCC1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461625918 874780339 /nfs/dbraw/zinc/78/03/39/874780339.db2.gz LQTIYWGAMPIPDU-ICSRJNTNSA-N 0 0 423.561 4.170 20 30 HIEDRN CNC(=O)Cn1ccc2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc21 ZINC000461626040 874781939 /nfs/dbraw/zinc/78/19/39/874781939.db2.gz YFSHYYDKJYXXLU-UHFFFAOYSA-N 0 0 424.460 4.304 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NCc3ncc(Br)s3)ccc21 ZINC000468796733 882863719 /nfs/dbraw/zinc/86/37/19/882863719.db2.gz CHUTYEUWDUYXIG-UHFFFAOYSA-N 0 0 405.321 4.101 20 30 HIEDRN CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1)C1CCCCC1 ZINC000461649174 874805763 /nfs/dbraw/zinc/80/57/63/874805763.db2.gz IWFZWMKCYNWOQQ-OAQYLSRUSA-N 0 0 409.534 4.067 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@H]2CCOC2)c1 ZINC000461655420 874810203 /nfs/dbraw/zinc/81/02/03/874810203.db2.gz NNTCDMZPKRCAHK-QGZVFWFLSA-N 0 0 419.451 4.022 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@H]2CCOC2)c1 ZINC000461669684 874821094 /nfs/dbraw/zinc/82/10/94/874821094.db2.gz PPGCZQNDUMRWSP-FYYLOGMGSA-N 0 0 413.525 4.065 20 30 HIEDRN CC(C)N(Cc1ccccc1F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461672139 874822844 /nfs/dbraw/zinc/82/28/44/874822844.db2.gz STXZADMQRFBJID-LJQANCHMSA-N 0 0 419.504 4.407 20 30 HIEDRN CCSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461674285 874824469 /nfs/dbraw/zinc/82/44/69/874824469.db2.gz WTKCTXAHHJDEJY-FXAWDEMLSA-N 0 0 413.591 4.354 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(CC3CCCCC3)n2C[C@@H]2CCOC2)C2CC2)cc1 ZINC000461687703 874837966 /nfs/dbraw/zinc/83/79/66/874837966.db2.gz BFMYEFYNSHHDGF-QFIPXVFZSA-N 0 0 419.573 4.478 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000461687925 874838121 /nfs/dbraw/zinc/83/81/21/874838121.db2.gz WZHZYKDBDOFHPU-UHFFFAOYSA-N 0 0 408.893 4.429 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccccc1I ZINC000461693398 874843392 /nfs/dbraw/zinc/84/33/92/874843392.db2.gz GQZBPQFSNGXSDL-UHFFFAOYSA-N 0 0 405.239 4.237 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCOC1 ZINC000461695659 874845657 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N#CCc1ccc(OCc2cccc(NC(=O)NC[C@H]3Cc4ccccc4O3)c2)cc1 ZINC000503284126 912264622 /nfs/dbraw/zinc/26/46/22/912264622.db2.gz GEQFHIAFXGIGMH-HSZRJFAPSA-N 0 0 413.477 4.457 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc(CN2CCSCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464478574 877699468 /nfs/dbraw/zinc/69/94/68/877699468.db2.gz UZWXSZGEDXHSIT-QGZVFWFLSA-N 0 0 405.445 4.139 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000464513394 877735986 /nfs/dbraw/zinc/73/59/86/877735986.db2.gz RBPMBGQLWMVCLI-GOSISDBHSA-N 0 0 404.461 4.354 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)cc1 ZINC000464572897 877795638 /nfs/dbraw/zinc/79/56/38/877795638.db2.gz UNSNWDLRZOIJPY-UHFFFAOYSA-N 0 0 400.525 4.005 20 30 HIEDRN N#Cc1ccsc1NC(=O)CCN1CCc2c(Br)ccc(Cl)c2C1 ZINC000464577757 877801500 /nfs/dbraw/zinc/80/15/00/877801500.db2.gz KNXZYXCDWDWGDL-UHFFFAOYSA-N 0 0 424.751 4.423 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)ccc1Cl ZINC000464603473 877833665 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N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC3(C2)CCCCCC3)cc1 ZINC000464662753 877883439 /nfs/dbraw/zinc/88/34/39/877883439.db2.gz IPISNDDIXRVSBT-UHFFFAOYSA-N 0 0 402.560 4.341 20 30 HIEDRN C=CCOc1ccc(C(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1OC ZINC000464668019 877887654 /nfs/dbraw/zinc/88/76/54/877887654.db2.gz YZKDCWIIYYBPLU-JOCHJYFZSA-N 0 0 409.526 4.432 20 30 HIEDRN C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)Oc1cccc(Br)c1 ZINC000464683948 877899725 /nfs/dbraw/zinc/89/97/25/877899725.db2.gz ZCEGUYGCPKUSHY-CQSZACIVSA-N 0 0 419.344 4.138 20 30 HIEDRN Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3-n3cnc(C#N)n3)c2)c1 ZINC000464689429 877902573 /nfs/dbraw/zinc/90/25/73/877902573.db2.gz OFJQJZPEGSEKHX-UHFFFAOYSA-N 0 0 423.476 4.208 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000464703386 877923260 /nfs/dbraw/zinc/92/32/60/877923260.db2.gz KWZZHUZCEWOUBP-BWKNWUBXSA-N 0 0 422.525 4.318 20 30 HIEDRN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000464705775 877928553 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KEKKLLSRWNOZEN-QAPCUYQASA-N 0 0 416.447 4.374 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccccc3)[C@H](C)C3CC3)C2)n1 ZINC000471303851 885892897 /nfs/dbraw/zinc/89/28/97/885892897.db2.gz JOVKMADFYSJHBO-XXBNENTESA-N 0 0 402.542 4.305 20 30 HIEDRN Cc1ccc([C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)c(C)c1 ZINC000471336100 885938417 /nfs/dbraw/zinc/93/84/17/885938417.db2.gz LTTYHNOSIPFOBS-NRFANRHFSA-N 0 0 403.526 4.346 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(F)cc3Br)C2)n1 ZINC000471339399 885943743 /nfs/dbraw/zinc/94/37/43/885943743.db2.gz CISLKQLYCAAMJR-AWEZNQCLSA-N 0 0 417.282 4.018 20 30 HIEDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000471344592 885953682 /nfs/dbraw/zinc/95/36/82/885953682.db2.gz CGSYKCLZRAYJBI-UHFFFAOYSA-N 0 0 421.501 4.036 20 30 HIEDRN Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)c2)oc1C ZINC000471345341 885955615 /nfs/dbraw/zinc/95/56/15/885955615.db2.gz JQOMUZYPUSWHTN-HXUWFJFHSA-N 0 0 415.497 4.389 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3ccccc3OC3CCCC3)C2)n1 ZINC000471349606 885962695 /nfs/dbraw/zinc/96/26/95/885962695.db2.gz GTHUCJMABLZQRU-OAQYLSRUSA-N 0 0 418.541 4.116 20 30 HIEDRN COc1ccc([C@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C(C)C)cc1 ZINC000471369364 886006689 /nfs/dbraw/zinc/00/66/89/886006689.db2.gz NEYCQMSNHMMTLU-RBBKRZOGSA-N 0 0 406.530 4.000 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1 ZINC000471373661 886013942 /nfs/dbraw/zinc/01/39/42/886013942.db2.gz QNUKOXQPNCRAKX-UHFFFAOYSA-N 0 0 402.907 4.463 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000504089096 912998500 /nfs/dbraw/zinc/99/85/00/912998500.db2.gz FLIYQVAAAQXYSL-XMMPIXPASA-N 0 0 408.498 4.143 20 30 HIEDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000471378726 886024182 /nfs/dbraw/zinc/02/41/82/886024182.db2.gz XYLHFTNXEOJMGT-UHFFFAOYSA-N 0 0 421.497 4.128 20 30 HIEDRN Cc1cc(C(=O)N2CCCc3cc(OC(F)F)ccc32)nn1-c1cccc(C#N)c1 ZINC000504093500 913003266 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CC(C)(CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C1=CCCCC1 ZINC000477632432 892752973 /nfs/dbraw/zinc/75/29/73/892752973.db2.gz DVEUARNMHLDTIL-UHFFFAOYSA-N 0 0 418.497 4.327 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1)c1ccc(F)c(F)c1 ZINC000477645924 892772371 /nfs/dbraw/zinc/77/23/71/892772371.db2.gz WYEZYRLLHPXCKU-GOSISDBHSA-N 0 0 424.394 4.402 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OC(F)F)c1ccc(F)c(F)c1 ZINC000477653475 892783495 /nfs/dbraw/zinc/78/34/95/892783495.db2.gz KCPBLOZWIMZQDB-MRXNPFEDSA-N 0 0 414.330 4.077 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCCCC1)c1ccc(F)c(F)c1 ZINC000477656786 892790932 /nfs/dbraw/zinc/79/09/32/892790932.db2.gz BDYYHVUCCDIKFT-OAQYLSRUSA-N 0 0 413.468 4.327 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(OCC)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000477658388 892793030 /nfs/dbraw/zinc/79/30/30/892793030.db2.gz DKSAUGRJHXJLTR-SFHVURJKSA-N 0 0 408.832 4.389 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1)c1ccc(F)c(F)c1 ZINC000477659024 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HIEDRN C=C(C)CN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000482157115 897621054 /nfs/dbraw/zinc/62/10/54/897621054.db2.gz FTUMKIYNTQFDIN-UHFFFAOYSA-N 0 0 414.571 4.111 20 30 HIEDRN CC[C@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccc(F)cc1F ZINC000505493879 914177140 /nfs/dbraw/zinc/17/71/40/914177140.db2.gz FVWNCKJQBUMSJF-NRFANRHFSA-N 0 0 413.468 4.089 20 30 HIEDRN N#C[C@H]1CN(CCCc2c(Cl)cccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000482169209 897634909 /nfs/dbraw/zinc/63/49/09/897634909.db2.gz IVUNSWUKGPFGMZ-LHSJRXKWSA-N 0 0 400.309 4.271 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCCC[C@H](SCC)C2)nnc1-c1ccco1 ZINC000482174365 897641930 /nfs/dbraw/zinc/64/19/30/897641930.db2.gz ZBZDGYLCPNODRT-INIZCTEOSA-N 0 0 420.604 4.341 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc(OC)c1OC ZINC000505495709 914178883 /nfs/dbraw/zinc/17/88/83/914178883.db2.gz UDHPGKDMZYNTMY-PXNSSMCTSA-N 0 0 416.905 4.486 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000505495859 914179265 /nfs/dbraw/zinc/17/92/65/914179265.db2.gz UQUINQZKYOMWCT-FQEVSTJZSA-N 0 0 416.477 4.225 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000505496231 914181649 /nfs/dbraw/zinc/18/16/49/914181649.db2.gz RCFGBLYVQRILJN-INIZCTEOSA-N 0 0 412.889 4.462 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)c2cccc(OCC=C(C)C)c2)cc(OC)c1OC ZINC000505499277 914187259 /nfs/dbraw/zinc/18/72/59/914187259.db2.gz BNRLVRTVODDKFN-LJQANCHMSA-N 0 0 410.470 4.052 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)N(CCC#N)CC1CC1)C(F)(F)F ZINC000482272793 897759449 /nfs/dbraw/zinc/75/94/49/897759449.db2.gz HYVCHQFNSMPYSI-LJQANCHMSA-N 0 0 419.451 4.428 20 30 HIEDRN COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C#N)cc3)n2)c1 ZINC000482295412 897791664 /nfs/dbraw/zinc/79/16/64/897791664.db2.gz OORVIODQHAFJME-UHFFFAOYSA-N 0 0 411.508 4.430 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000482322635 897822935 /nfs/dbraw/zinc/82/29/35/897822935.db2.gz DJDDNZJJLAAFEE-OAQYLSRUSA-N 0 0 414.502 4.271 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccc(OCC(F)(F)F)n1)c1c(Cl)cccc1Cl ZINC000505506303 914194594 /nfs/dbraw/zinc/19/45/94/914194594.db2.gz LCPJCYHWLGFASC-GFCCVEGCSA-N 0 0 404.175 4.324 20 30 HIEDRN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000482341820 897849671 /nfs/dbraw/zinc/84/96/71/897849671.db2.gz HYGGLAYXLGYSPD-JLCFBVMHSA-N 0 0 422.460 4.052 20 30 HIEDRN O=C(N[C@@H](CO)c1cccc(F)c1)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000482345338 897855413 /nfs/dbraw/zinc/85/54/13/897855413.db2.gz RCRPWLVWRTWWIC-LSDHHAIUSA-N 0 0 424.316 4.481 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccnc(OCC(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000505511545 914202204 /nfs/dbraw/zinc/20/22/04/914202204.db2.gz FQTRGTZPFSNCDP-GFCCVEGCSA-N 0 0 404.175 4.324 20 30 HIEDRN C=CCN(CCOC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c21 ZINC000482385333 897915314 /nfs/dbraw/zinc/91/53/14/897915314.db2.gz LMLMKBDPXGFWCD-UHFFFAOYSA-N 0 0 419.403 4.492 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2ncc(C(C)C)s2)nnc1-c1ccco1 ZINC000482402832 897943174 /nfs/dbraw/zinc/94/31/74/897943174.db2.gz JTOYYFATBJTICN-UHFFFAOYSA-N 0 0 403.533 4.425 20 30 HIEDRN C[C@H](COCC(F)(F)F)NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000482429532 897986200 /nfs/dbraw/zinc/98/62/00/897986200.db2.gz ALXKLDDCRDOVML-KCJUWKMLSA-N 0 0 424.288 4.158 20 30 HIEDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000482451370 898017107 /nfs/dbraw/zinc/01/71/07/898017107.db2.gz UFTCCIAUKLGKOR-WIYYLYMNSA-N 0 0 406.486 4.165 20 30 HIEDRN COC(=O)c1ccc([C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C(F)(F)F)cc1 ZINC000482459578 898030830 /nfs/dbraw/zinc/03/08/30/898030830.db2.gz VRQROBMBMPRKLR-ROUUACIJSA-N 0 0 419.403 4.421 20 30 HIEDRN COC(=O)c1ccc([C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C(F)(F)F)cc1 ZINC000482459577 898031173 /nfs/dbraw/zinc/03/11/73/898031173.db2.gz VRQROBMBMPRKLR-QZTJIDSGSA-N 0 0 419.403 4.421 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1)C1CCCCC1 ZINC000482472650 898048068 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HIEDRN COc1cc([C@@H](C#N)NC(=O)c2cccc(OC3CCCC3)c2)cc(OC)c1OC ZINC000505540630 914236863 /nfs/dbraw/zinc/23/68/63/914236863.db2.gz QIGCVYQDVVVFGR-LJQANCHMSA-N 0 0 410.470 4.028 20 30 HIEDRN C[C@H]1Sc2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2NC1=O ZINC000505539164 914235943 /nfs/dbraw/zinc/23/59/43/914235943.db2.gz FNXLCUIAMKDPEL-YMTOWFKASA-N 0 0 406.294 4.421 20 30 HIEDRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000482664452 898266827 /nfs/dbraw/zinc/26/68/27/898266827.db2.gz UUVORUPKTLFIJJ-ZDUSSCGKSA-N 0 0 404.283 4.232 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)NCCc3cccc4ccccc43)CC2)c(F)c1 ZINC000505541609 914237726 /nfs/dbraw/zinc/23/77/26/914237726.db2.gz ZWSHPLVRMQZEOR-UHFFFAOYSA-N 0 0 401.485 4.426 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000482695114 898294443 /nfs/dbraw/zinc/29/44/43/898294443.db2.gz PSSUTJWUOCDUIS-OAHLLOKOSA-N 0 0 413.905 4.286 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)cc1 ZINC000505542967 914241781 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409.877 4.186 20 30 HIEDRN C=C(C)COc1cc(CNc2nnc([C@H]3COc4ccccc4O3)o2)ccc1OC ZINC000541826074 939643452 /nfs/dbraw/zinc/64/34/52/939643452.db2.gz KPRNQBBGGKSGJX-HXUWFJFHSA-N 0 0 409.442 4.158 20 30 HIEDRN CCC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000541900251 939650043 /nfs/dbraw/zinc/65/00/43/939650043.db2.gz DACKXPOGBIAIEP-MRXNPFEDSA-N 0 0 423.348 4.286 20 30 HIEDRN Cc1ccc(F)cc1C(=O)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000541960658 939663316 /nfs/dbraw/zinc/66/33/16/939663316.db2.gz OVIFFSUKXGJQRT-JOCHJYFZSA-N 0 0 402.425 4.277 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000541967768 939665101 /nfs/dbraw/zinc/66/51/01/939665101.db2.gz GITSRNIKPCDQNE-IBGZPJMESA-N 0 0 417.868 4.201 20 30 HIEDRN N#CCC1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)CC1 ZINC000541978011 939667543 /nfs/dbraw/zinc/66/75/43/939667543.db2.gz BMWOJADRXQMWFP-UHFFFAOYSA-N 0 0 403.313 4.434 20 30 HIEDRN Cc1cc(COc2ccc(C(=O)N3CCC(CC#N)CC3)cc2Br)on1 ZINC000541978525 939668132 /nfs/dbraw/zinc/66/81/32/939668132.db2.gz SIKHWUUMUTUAGS-UHFFFAOYSA-N 0 0 418.291 4.090 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3csc(Cc4ccc(F)cc4)n3)n2)c(F)c1 ZINC000542000080 939676036 /nfs/dbraw/zinc/67/60/36/939676036.db2.gz LRZQSFWPGSPYSM-UHFFFAOYSA-N 0 0 421.432 4.322 20 30 HIEDRN C[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541998982 939676225 /nfs/dbraw/zinc/67/62/25/939676225.db2.gz LHOKURSKLWDPOY-LJQANCHMSA-N 0 0 411.505 4.151 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3c(F)cccc3Br)n2)c(F)c1 ZINC000542001676 939678095 /nfs/dbraw/zinc/67/80/95/939678095.db2.gz PCLIDCYCQXZQMU-UHFFFAOYSA-N 0 0 403.186 4.037 20 30 HIEDRN C[C@@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000542003303 939679153 /nfs/dbraw/zinc/67/91/53/939679153.db2.gz SWROSJHSLVWGAA-TZMCWYRMSA-N 0 0 422.428 4.014 20 30 HIEDRN C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000542003297 939679160 /nfs/dbraw/zinc/67/91/60/939679160.db2.gz SWROSJHSLVWGAA-GXTWGEPZSA-N 0 0 422.428 4.014 20 30 HIEDRN COc1ccc(NC(=O)NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000542005683 939681368 /nfs/dbraw/zinc/68/13/68/939681368.db2.gz FADJGGKJEKUYAE-UHFFFAOYSA-N 0 0 409.389 4.026 20 30 HIEDRN COc1c(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cccc1C(N)=O ZINC000542015518 939685989 /nfs/dbraw/zinc/68/59/89/939685989.db2.gz LMTXSJQWVYTTAC-UHFFFAOYSA-N 0 0 421.840 4.364 20 30 HIEDRN Cn1cc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c(-c2ccccc2)n1 ZINC000542027403 939691712 /nfs/dbraw/zinc/69/17/12/939691712.db2.gz YKZYCSDXFXMJBG-UHFFFAOYSA-N 0 0 407.477 4.204 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCO[C@@H](c3cccs3)C2)n1 ZINC000542029326 939692641 /nfs/dbraw/zinc/69/26/41/939692641.db2.gz JEYSFHCZAXIGFM-MRXNPFEDSA-N 0 0 413.890 4.064 20 30 HIEDRN C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](c2ccccc2)O1 ZINC000542031811 939693407 /nfs/dbraw/zinc/69/34/07/939693407.db2.gz HGQBWABKEJUHGG-YWZLYKJASA-N 0 0 421.888 4.391 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCc3cccc(OC(F)F)c3)n2)c(Cl)c1 ZINC000542034012 939693647 /nfs/dbraw/zinc/69/36/47/939693647.db2.gz YYSMZAMXRIFFMW-UHFFFAOYSA-N 0 0 417.803 4.320 20 30 HIEDRN CCOCc1ccccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542035233 939694628 /nfs/dbraw/zinc/69/46/28/939694628.db2.gz ZADNHOCOQPWXEW-UHFFFAOYSA-N 0 0 409.877 4.256 20 30 HIEDRN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542037791 939695304 /nfs/dbraw/zinc/69/53/04/939695304.db2.gz OCRREUVPWVZECC-CYBMUJFWSA-N 0 0 409.287 4.255 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2Cc3ccccc3OC[C@H]2C)nnc1-c1ccco1 ZINC000542038152 939695500 /nfs/dbraw/zinc/69/55/00/939695500.db2.gz PSEKKLIPBBMXPZ-MRXNPFEDSA-N 0 0 424.526 4.016 20 30 HIEDRN CC(C)Cn1ncc2cc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cnc21 ZINC000542042029 939696841 /nfs/dbraw/zinc/69/68/41/939696841.db2.gz YQGWWQZEYMEDPO-UHFFFAOYSA-N 0 0 419.876 4.050 20 30 HIEDRN C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542060152 939701516 /nfs/dbraw/zinc/70/15/16/939701516.db2.gz AMFJXLNIYKQYAK-QGZVFWFLSA-N 0 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N#CCc1ccc(OC[C@H](O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 ZINC000542166520 939741235 /nfs/dbraw/zinc/74/12/35/939741235.db2.gz JHXKBEUEXLSTDV-FQEVSTJZSA-N 0 0 401.491 4.218 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000542189356 939750330 /nfs/dbraw/zinc/75/03/30/939750330.db2.gz SIWSPLAFXZECLV-ZDUSSCGKSA-N 0 0 407.392 4.041 20 30 HIEDRN C=CCn1c2ccccc2nc1S[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000542195779 939752441 /nfs/dbraw/zinc/75/24/41/939752441.db2.gz WXIVQMLLSOOAQF-QGZVFWFLSA-N 0 0 405.445 4.430 20 30 HIEDRN CCCc1c(C(=O)Nc2cc(C#N)ccc2OCCOC)cnn1Cc1ccccc1 ZINC000542286419 939785202 /nfs/dbraw/zinc/78/52/02/939785202.db2.gz BNIGORPRZLBPRH-UHFFFAOYSA-N 0 0 418.497 4.033 20 30 HIEDRN N#Cc1ccc(CN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C2CC2)cc1 ZINC000542296023 939788687 /nfs/dbraw/zinc/78/86/87/939788687.db2.gz WRBNKUUOZJDEFA-UHFFFAOYSA-N 0 0 418.447 4.316 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000542296597 939789204 /nfs/dbraw/zinc/78/92/04/939789204.db2.gz PRKQAWJDGNHGLJ-UHFFFAOYSA-N 0 0 421.501 4.285 20 30 HIEDRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCC#N)cc2)c(C)c1C ZINC000542384246 939811779 /nfs/dbraw/zinc/81/17/79/939811779.db2.gz BXNTYIIQRCSIAZ-UHFFFAOYSA-N 0 0 413.543 4.063 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1 ZINC000542418193 939818168 /nfs/dbraw/zinc/81/81/68/939818168.db2.gz VDGFNRWSFORENN-OAHLLOKOSA-N 0 0 420.332 4.308 20 30 HIEDRN N#Cc1ccc(CN(C(=O)NCc2ccc(Br)c(F)c2)C2CC2)cc1 ZINC000542421223 939818987 /nfs/dbraw/zinc/81/89/87/939818987.db2.gz KQFPYBWRLUEPII-UHFFFAOYSA-N 0 0 402.267 4.334 20 30 HIEDRN Cc1ccnn1-c1ccccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000542426589 939820119 /nfs/dbraw/zinc/82/01/19/939820119.db2.gz ALJVILNSPACFFU-UHFFFAOYSA-N 0 0 401.470 4.128 20 30 HIEDRN N#Cc1cccc(C2(C(=O)NCCc3c[nH]c4ccc(Br)cc34)CC2)c1 ZINC000542427845 939820522 /nfs/dbraw/zinc/82/05/22/939820522.db2.gz OQOXKCMKZVUDQS-UHFFFAOYSA-N 0 0 408.299 4.193 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000542427285 939820679 /nfs/dbraw/zinc/82/06/79/939820679.db2.gz JRTJRRMRHSMJPG-VBKZILBWSA-N 0 0 417.893 4.135 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000542429151 939821172 /nfs/dbraw/zinc/82/11/72/939821172.db2.gz WFMNBKAXBNTXHX-SFHVURJKSA-N 0 0 407.392 4.317 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000542454275 939825603 /nfs/dbraw/zinc/82/56/03/939825603.db2.gz MRFFMYASBZTMNU-UHFFFAOYSA-N 0 0 414.259 4.080 20 30 HIEDRN COC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542556922 939843384 /nfs/dbraw/zinc/84/33/84/939843384.db2.gz LNDLDMAAVSROKO-YOEHRIQHSA-N 0 0 401.532 4.094 20 30 HIEDRN COCC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542578952 939845747 /nfs/dbraw/zinc/84/57/47/939845747.db2.gz NNLKQYWQCRJTPJ-GOSISDBHSA-N 0 0 415.559 4.486 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N(CCO)C3CCCCC3)c2)cc1 ZINC000542634511 939850662 /nfs/dbraw/zinc/85/06/62/939850662.db2.gz UYMPBARUFLBUIL-UHFFFAOYSA-N 0 0 407.514 4.491 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000542661302 939852265 /nfs/dbraw/zinc/85/22/65/939852265.db2.gz YKGZYSWSLPQUAS-GPMSIDNRSA-N 0 0 408.527 4.024 20 30 HIEDRN C=CCn1c(SC[C@@H](O)COc2cc(C)ccc2Cl)nc2ccccc2c1=O ZINC000542732227 939857824 /nfs/dbraw/zinc/85/78/24/939857824.db2.gz FDDPAIVIJJXLFR-HNNXBMFYSA-N 0 0 416.930 4.076 20 30 HIEDRN Cc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)nn1-c1cccc(C#N)c1 ZINC000542801379 939861001 /nfs/dbraw/zinc/86/10/01/939861001.db2.gz DISSIWOFCIADIN-OALUTQOASA-N 0 0 421.298 4.101 20 30 HIEDRN CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[nH]n1 ZINC000542834349 939861844 /nfs/dbraw/zinc/86/18/44/939861844.db2.gz BFWINJPLJCIOBH-UHFFFAOYSA-N 0 0 410.817 4.156 20 30 HIEDRN N#Cc1ccc(CSCC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000542914417 939876792 /nfs/dbraw/zinc/87/67/92/939876792.db2.gz VQMNZGGSIYYRQN-IBGZPJMESA-N 0 0 420.456 4.410 20 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ZINC000542956121 939885364 /nfs/dbraw/zinc/88/53/64/939885364.db2.gz SZHJXOCGTFORQX-IBGZPJMESA-N 0 0 407.861 4.003 20 30 HIEDRN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1 ZINC000542955599 939885422 /nfs/dbraw/zinc/88/54/22/939885422.db2.gz CYNOYELVCOAQJA-LJQANCHMSA-N 0 0 406.877 4.470 20 30 HIEDRN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000542956594 939885658 /nfs/dbraw/zinc/88/56/58/939885658.db2.gz DJIYFTDTCGDHTJ-LBPRGKRZSA-N 0 0 410.821 4.188 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)Nc3ccccc3OCC(F)F)n2)c(F)c1 ZINC000542958361 939885847 /nfs/dbraw/zinc/88/58/47/939885847.db2.gz AUBXJLJEFOCSCV-UHFFFAOYSA-N 0 0 401.348 4.171 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3C[C@H]3c3c(F)cccc3Cl)n2)c(F)c1 ZINC000542958812 939885938 /nfs/dbraw/zinc/88/59/38/939885938.db2.gz ILEXVPQAEUQNPK-WBMJQRKESA-N 0 0 413.815 4.353 20 30 HIEDRN C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000542959463 939886229 /nfs/dbraw/zinc/88/62/29/939886229.db2.gz XJCBJDAFPSOSPX-HSZRJFAPSA-N 0 0 403.461 4.469 20 30 HIEDRN CO[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1cccc(Cl)c1 ZINC000542960158 939886305 /nfs/dbraw/zinc/88/63/05/939886305.db2.gz PCMRCRJAVCAKIV-GOSISDBHSA-N 0 0 413.840 4.046 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)n2)c(F)c1 ZINC000542960197 939886316 /nfs/dbraw/zinc/88/63/16/939886316.db2.gz QSTVNNOPTGWCJN-JOCHJYFZSA-N 0 0 412.428 4.189 20 30 HIEDRN Cc1ccc([C@@H](C)NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1[N+](=O)[O-] ZINC000542962238 939886726 /nfs/dbraw/zinc/88/67/26/939886726.db2.gz SBWUWOIWHPDQAX-CYBMUJFWSA-N 0 0 424.848 4.497 20 30 HIEDRN COc1ccc([C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C(C)C)cc1 ZINC000542963513 939886992 /nfs/dbraw/zinc/88/69/92/939886992.db2.gz PYBYBBQNPYMUSA-OAQYLSRUSA-N 0 0 407.449 4.410 20 30 HIEDRN Cc1ccnc(OC2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 ZINC000542981043 939891093 /nfs/dbraw/zinc/89/10/93/939891093.db2.gz IFZZVTWLOOEOKG-GOSISDBHSA-N 0 0 424.570 4.266 20 30 HIEDRN COc1ccc(C[C@@H](C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1OC ZINC000542980943 939891154 /nfs/dbraw/zinc/89/11/54/939891154.db2.gz GGQBVTNKQGUEHR-CQSZACIVSA-N 0 0 424.888 4.232 20 30 HIEDRN O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1 ZINC000542983341 939891264 /nfs/dbraw/zinc/89/12/64/939891264.db2.gz XVHSJURQSFCZDC-LBPRGKRZSA-N 0 0 416.318 4.212 20 30 HIEDRN Cc1c(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cccc1-n1cnnn1 ZINC000542985735 939891472 /nfs/dbraw/zinc/89/14/72/939891472.db2.gz ICJDTULVHXAYFX-KRWDZBQOSA-N 0 0 423.480 4.392 20 30 HIEDRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542989393 939892327 /nfs/dbraw/zinc/89/23/27/939892327.db2.gz POCVWRMFWXWROY-INIZCTEOSA-N 0 0 419.506 4.088 20 30 HIEDRN COc1c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)cccc1C(N)=O ZINC000542996238 939893118 /nfs/dbraw/zinc/89/31/18/939893118.db2.gz WZJVRISGWNYBIU-UHFFFAOYSA-N 0 0 401.422 4.019 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542997951 939893275 /nfs/dbraw/zinc/89/32/75/939893275.db2.gz CSXJURLWKBRZBN-HNNXBMFYSA-N 0 0 412.424 4.052 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)n2)c(Cl)c1 ZINC000542998483 939893457 /nfs/dbraw/zinc/89/34/57/939893457.db2.gz NRAZXZZYBIEARJ-UHFFFAOYSA-N 0 0 414.799 4.277 20 30 HIEDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H](O)C(F)(F)F ZINC000543016029 939895581 /nfs/dbraw/zinc/89/55/81/939895581.db2.gz DBUSFFAUDMOZOZ-AGRHKRQWSA-N 0 0 405.420 4.287 20 30 HIEDRN CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000543018964 939896099 /nfs/dbraw/zinc/89/60/99/939896099.db2.gz ZQMOSWYXISZNLV-HTAPYJJXSA-N 0 0 405.498 4.271 20 30 HIEDRN C=CCNc1nnc(S[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)OC)s1 ZINC000543031461 939898924 /nfs/dbraw/zinc/89/89/24/939898924.db2.gz GNFKPULRFLNYOK-LBPRGKRZSA-N 0 0 403.451 4.031 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000543046372 939907734 /nfs/dbraw/zinc/90/77/34/939907734.db2.gz LCAMXBCMVKIJCD-JQPIKURYSA-N 0 0 417.512 4.175 20 30 HIEDRN CC(C)NC(=O)CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543052790 939911220 /nfs/dbraw/zinc/91/12/20/939911220.db2.gz SWNDQXYSGBTSSQ-LBPRGKRZSA-N 0 0 410.280 4.442 20 30 HIEDRN C[C@H](NC(=O)c1ccc(C#N)s1)c1ccccc1NC(=O)c1ccc(C#N)s1 ZINC000543065730 939918938 /nfs/dbraw/zinc/91/89/38/939918938.db2.gz BASWRMWCDPUGPP-LBPRGKRZSA-N 0 0 406.492 4.296 20 30 HIEDRN N#CC1(NC(=O)CNc2ccc(Oc3cccc(F)c3)c(Br)c2)CCC1 ZINC000563749116 945281917 /nfs/dbraw/zinc/28/19/17/945281917.db2.gz OXCHTVVCLDSSBF-UHFFFAOYSA-N 0 0 418.266 4.355 20 30 HIEDRN N#Cc1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)cc1C(F)(F)F ZINC000543103589 939946318 /nfs/dbraw/zinc/94/63/18/939946318.db2.gz PDDNXYMBUASCJG-UHFFFAOYSA-N 0 0 410.193 4.405 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000543135913 939964537 /nfs/dbraw/zinc/96/45/37/939964537.db2.gz RRBOBFIUZWVSRC-UHFFFAOYSA-N 0 0 404.413 4.430 20 30 HIEDRN C=CCn1c(SCCCC(=O)OC(C)(C)C)nnc1[C@@H]1COc2ccccc2O1 ZINC000543144071 939969583 /nfs/dbraw/zinc/96/95/83/939969583.db2.gz NSSGBCJGZKBBEJ-KRWDZBQOSA-N 0 0 417.531 4.191 20 30 HIEDRN CC(C)(C#N)c1ccccc1Cn1cc(Br)cc(Br)c1=O ZINC000543145354 939970105 /nfs/dbraw/zinc/97/01/05/939970105.db2.gz CWJDNFCBVVMCLC-UHFFFAOYSA-N 0 0 410.109 4.223 20 30 HIEDRN O=S(=O)(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1OC(F)F ZINC000543169544 939984039 /nfs/dbraw/zinc/98/40/39/939984039.db2.gz ROGDLLAXIRWNOG-ZDUSSCGKSA-N 0 0 417.302 4.148 20 30 HIEDRN CC[C@H]1CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c2cccc(Cl)c2O1 ZINC000543183153 939988949 /nfs/dbraw/zinc/98/89/49/939988949.db2.gz GLCKLUDUXNGVKF-INIZCTEOSA-N 0 0 423.904 4.008 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 ZINC000543215091 939997905 /nfs/dbraw/zinc/99/79/05/939997905.db2.gz KXEBEFBNTPCRIK-UHFFFAOYSA-N 0 0 404.470 4.145 20 30 HIEDRN N#Cc1ccc(CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000543239187 940004665 /nfs/dbraw/zinc/00/46/65/940004665.db2.gz SEWGAQPLBIZVNC-UHFFFAOYSA-N 0 0 400.232 4.034 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000543350768 940038659 /nfs/dbraw/zinc/03/86/59/940038659.db2.gz UJOMGPHHQFBFND-INIZCTEOSA-N 0 0 401.463 4.081 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000543352585 940039234 /nfs/dbraw/zinc/03/92/34/940039234.db2.gz YNSWOJKTQMJHAN-KRWDZBQOSA-N 0 0 415.877 4.272 20 30 HIEDRN COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)c1 ZINC000543364742 940043062 /nfs/dbraw/zinc/04/30/62/940043062.db2.gz XSZRMTCGGIAQOO-OAHLLOKOSA-N 0 0 417.469 4.052 20 30 HIEDRN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000543370413 940044391 /nfs/dbraw/zinc/04/43/91/940044391.db2.gz KHMCVNKXBCYRPF-AUSIDOKSSA-N 0 0 419.525 4.332 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000543384453 940047616 /nfs/dbraw/zinc/04/76/16/940047616.db2.gz QGCIQTHHRVGWJJ-UHFFFAOYSA-N 0 0 414.259 4.080 20 30 HIEDRN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c12 ZINC000543390137 940049154 /nfs/dbraw/zinc/04/91/54/940049154.db2.gz IHPJVJQRGGEJIM-IBGZPJMESA-N 0 0 415.497 4.035 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(F)cc3-c3nc(C4CC4)no3)n2)c1 ZINC000543398851 940051472 /nfs/dbraw/zinc/05/14/72/940051472.db2.gz QJIVWSBODHFXSC-UHFFFAOYSA-N 0 0 414.400 4.063 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000543486931 940080183 /nfs/dbraw/zinc/08/01/83/940080183.db2.gz YXSQHINGXGGCRQ-UHFFFAOYSA-N 0 0 411.889 4.489 20 30 HIEDRN Cc1sc([C@H](C)NCC(=O)N(CCC#N)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000543504343 940088237 /nfs/dbraw/zinc/08/82/37/940088237.db2.gz MEKRDNYRWJNIOG-AWEZNQCLSA-N 0 0 415.950 4.078 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cccc(CNc3ccnc(C)n3)c2)cc1 ZINC000543524331 940095828 /nfs/dbraw/zinc/09/58/28/940095828.db2.gz LPIIJDWSEYJYKN-UHFFFAOYSA-N 0 0 415.497 4.356 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)N[C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)n2)cc1 ZINC000543546979 940103661 /nfs/dbraw/zinc/10/36/61/940103661.db2.gz WKSWSQHMCGWOGT-KGLIPLIRSA-N 0 0 407.474 4.058 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)N[C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)n2)cc1 ZINC000543546974 940103675 /nfs/dbraw/zinc/10/36/75/940103675.db2.gz WKSWSQHMCGWOGT-KBPBESRZSA-N 0 0 407.474 4.058 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000543558514 940108836 /nfs/dbraw/zinc/10/88/36/940108836.db2.gz DZSREHHKELQYFA-CTNGQTDRSA-N 0 0 423.582 4.210 20 30 HIEDRN Cc1nn(C)c(OCC(F)(F)F)c1CNc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000543679327 940158570 /nfs/dbraw/zinc/15/85/70/940158570.db2.gz GTYXXOOEESWCEI-UHFFFAOYSA-N 0 0 421.448 4.201 20 30 HIEDRN Cc1cccc(C)c1Oc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543736702 940171603 /nfs/dbraw/zinc/17/16/03/940171603.db2.gz BDCVNMSADYDTRQ-UHFFFAOYSA-N 0 0 418.501 4.369 20 30 HIEDRN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2)C1 ZINC000543737448 940172611 /nfs/dbraw/zinc/17/26/11/940172611.db2.gz ZZIZPONUPFECNK-LPHOPBHVSA-N 0 0 424.549 4.055 20 30 HIEDRN CCOC(=O)c1cnc2c(OC)cc(Cl)c(OC)c2c1N1CCC(CC#N)CC1 ZINC000543792565 940188105 /nfs/dbraw/zinc/18/81/05/940188105.db2.gz XLPZLQJORNTGQL-UHFFFAOYSA-N 0 0 417.893 4.212 20 30 HIEDRN Cc1cc(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000543794916 940189326 /nfs/dbraw/zinc/18/93/26/940189326.db2.gz VUGTWBBIYMBHQT-FQEVSTJZSA-N 0 0 416.378 4.399 20 30 HIEDRN C[C@@H]1CC[C@@]2(CCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)C1 ZINC000543795940 940189344 /nfs/dbraw/zinc/18/93/44/940189344.db2.gz FDSKHNVDWMMYME-WAIKUNEKSA-N 0 0 408.502 4.061 20 30 HIEDRN N#CCCN(C(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccccc1 ZINC000543806457 940192083 /nfs/dbraw/zinc/19/20/83/940192083.db2.gz CXNCZMQBHYRVGK-FQEVSTJZSA-N 0 0 417.431 4.026 20 30 HIEDRN N#CCC1CCN(C(=O)Nc2cc(Br)ccc2Br)CC1 ZINC000543829498 940201667 /nfs/dbraw/zinc/20/16/67/940201667.db2.gz AGDOOLCDJSAHSJ-UHFFFAOYSA-N 0 0 401.102 4.369 20 30 HIEDRN N#CCC1CCN(C(=O)CC2(CC(=O)N3CCC(CC#N)CC3)CCCCC2)CC1 ZINC000543837219 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402.829 4.366 20 30 HIEDRN C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC(=O)N1 ZINC000544506411 940460124 /nfs/dbraw/zinc/46/01/24/940460124.db2.gz YGXDFLWIFSKELE-OLZOCXBDSA-N 0 0 417.387 4.223 20 30 HIEDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000544544303 940475807 /nfs/dbraw/zinc/47/58/07/940475807.db2.gz ZPLUAGUHDNDYPC-JTDSTZFVSA-N 0 0 423.488 4.156 20 30 HIEDRN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NS(=O)(=O)CCC(C)(C)C#N ZINC000563915564 945323912 /nfs/dbraw/zinc/32/39/12/945323912.db2.gz KOCPXRZYXQASNV-IAQYHMDHSA-N 0 0 417.394 4.091 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc1 ZINC000544705102 940504874 /nfs/dbraw/zinc/50/48/74/940504874.db2.gz XNYHSOMLPMFTMZ-UHFFFAOYSA-N 0 0 400.276 4.396 20 30 HIEDRN C=C(C)Cn1c(SCc2nc(-c3n[nH]c4ccccc43)no2)nnc1-c1ccco1 ZINC000544927190 940525980 /nfs/dbraw/zinc/52/59/80/940525980.db2.gz JDWFACSUHMFBMN-UHFFFAOYSA-N 0 0 419.470 4.333 20 30 HIEDRN Cc1ccc(-c2noc(CSCc3ccc(C#N)cc3)n2)c(N2CCOCC2)c1 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20 30 HIEDRN C=CCCO[C@H](C)c1nc(Cc2cccc(F)c2I)no1 ZINC000545144048 940549954 /nfs/dbraw/zinc/54/99/54/940549954.db2.gz GMPVDUFOYKFSFT-SNVBAGLBSA-N 0 0 402.207 4.058 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(C)n1Cc1ccncc1 ZINC000545169477 940553886 /nfs/dbraw/zinc/55/38/86/940553886.db2.gz RGPHUZMIMZKBER-FQEVSTJZSA-N 0 0 423.314 4.305 20 30 HIEDRN CC(C)(C)CCOc1cnccc1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000563956313 945331222 /nfs/dbraw/zinc/33/12/22/945331222.db2.gz MWZDUOOMFWBKRV-UHFFFAOYSA-N 0 0 421.545 4.059 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000545295812 940560473 /nfs/dbraw/zinc/56/04/73/940560473.db2.gz OOAJJTFHPNYPQU-UHFFFAOYSA-N 0 0 403.486 4.342 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000545297933 940560613 /nfs/dbraw/zinc/56/06/13/940560613.db2.gz LCRPSQKCEDNEPY-SNVBAGLBSA-N 0 0 409.667 4.389 20 30 HIEDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000545371588 940566414 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C=CCCCCCN(C)C(=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000552746260 941751144 /nfs/dbraw/zinc/75/11/44/941751144.db2.gz LWZSUCRGWDQZPN-UHFFFAOYSA-N 0 0 409.368 4.048 20 30 HIEDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000552775316 941758339 /nfs/dbraw/zinc/75/83/39/941758339.db2.gz FDHMWPHMWDSNJY-UNMCSNQZSA-N 0 0 417.469 4.239 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)CSCc3ccc(Br)cc3F)CC2)c1 ZINC000552814993 941773987 /nfs/dbraw/zinc/77/39/87/941773987.db2.gz BTNYWHKEAHXKCA-UHFFFAOYSA-N 0 0 419.319 4.499 20 30 HIEDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000552816588 941774755 /nfs/dbraw/zinc/77/47/55/941774755.db2.gz WSEXPOQRNOKBMC-QGZVFWFLSA-N 0 0 423.538 4.230 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000552821728 941778157 /nfs/dbraw/zinc/77/81/57/941778157.db2.gz QYLZYYORLYXXKQ-UHFFFAOYSA-N 0 0 411.552 4.011 20 30 HIEDRN CCCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000552844797 941785877 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LALWSUYUOHCWFY-SFHVURJKSA-N 0 0 401.491 4.398 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(Br)cc4ccccc43)C2)nc1 ZINC000552902782 941800165 /nfs/dbraw/zinc/80/01/65/941800165.db2.gz QLAFKCIJLOAORB-KRWDZBQOSA-N 0 0 422.282 4.162 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)C2)nc1 ZINC000552904266 941800836 /nfs/dbraw/zinc/80/08/36/941800836.db2.gz UTSBPCHHRQNLNB-LJQANCHMSA-N 0 0 410.433 4.055 20 30 HIEDRN C=CC[C@H](C(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1)c1ccccc1 ZINC000553015785 941816425 /nfs/dbraw/zinc/81/64/25/941816425.db2.gz XBEANJYWDDBOKJ-ZEQRLZLVSA-N 0 0 404.554 4.476 20 30 HIEDRN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)Cc2sccc2C)cc1 ZINC000553025182 941818994 /nfs/dbraw/zinc/81/89/94/941818994.db2.gz UJBSXIBNLOWYKI-UHFFFAOYSA-N 0 0 422.554 4.415 20 30 HIEDRN COCCC[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000553025846 941819121 /nfs/dbraw/zinc/81/91/21/941819121.db2.gz PVLXUEGCDHMRGT-LEWJYISDSA-N 0 0 409.917 4.221 20 30 HIEDRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000553036842 941821318 /nfs/dbraw/zinc/82/13/18/941821318.db2.gz MHTFAEZTPXLQLS-GOSISDBHSA-N 0 0 423.488 4.047 20 30 HIEDRN CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)CCC2 ZINC000553060634 941826316 /nfs/dbraw/zinc/82/63/16/941826316.db2.gz GUTJPCLLPBHTCJ-HNAYVOBHSA-N 0 0 412.534 4.079 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000553079446 941829852 /nfs/dbraw/zinc/82/98/52/941829852.db2.gz QFEIOAKUWDZUDF-UHFFFAOYSA-N 0 0 404.466 4.243 20 30 HIEDRN Cc1noc(C)c1[C@H](C)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553100814 941832814 /nfs/dbraw/zinc/83/28/14/941832814.db2.gz ZMNZAOUYJNCUPK-CQSZACIVSA-N 0 0 414.937 4.343 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000553114944 941834966 /nfs/dbraw/zinc/83/49/66/941834966.db2.gz YTJOTEWTRMLUIA-UHFFFAOYSA-N 0 0 424.589 4.486 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(COC2CCOCC2)c1 ZINC000553115862 941835210 /nfs/dbraw/zinc/83/52/10/941835210.db2.gz FZFZZALZDMVQNB-UHFFFAOYSA-N 0 0 411.546 4.378 20 30 HIEDRN C[C@](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)(c1ccccc1)C(F)(F)F ZINC000553125276 941836196 /nfs/dbraw/zinc/83/61/96/941836196.db2.gz DUDASBWSWVFUCQ-YWZLYKJASA-N 0 0 405.395 4.118 20 30 HIEDRN C[C@H]1C[C@H](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCO1 ZINC000553132453 941837574 /nfs/dbraw/zinc/83/75/74/941837574.db2.gz NSHNEMKGKUYVJK-DLBZAZTESA-N 0 0 403.954 4.140 20 30 HIEDRN C=CCN1C(=O)N(c2ncc(Cc3cccc(F)c3)s2)C(=O)[C@H]1Cc1ccccc1 ZINC000553132972 941837730 /nfs/dbraw/zinc/83/77/30/941837730.db2.gz MUPKMFKNBPSUKN-HXUWFJFHSA-N 0 0 421.497 4.439 20 30 HIEDRN Cn1nccc1C1=CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000553144432 941840357 /nfs/dbraw/zinc/84/03/57/941840357.db2.gz SWVXWHNIPMKXRV-UHFFFAOYSA-N 0 0 400.507 4.372 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC000553168014 941843731 /nfs/dbraw/zinc/84/37/31/941843731.db2.gz VKHYOIYCWOBIMI-QGZVFWFLSA-N 0 0 409.555 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941860658 /nfs/dbraw/zinc/86/06/58/941860658.db2.gz NGFZNODUNNQNMC-YLJYHZDGSA-N 0 0 409.505 4.012 20 30 HIEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNc1ncc(Cl)cc1Cl ZINC000553295834 941862714 /nfs/dbraw/zinc/86/27/14/941862714.db2.gz USDHLMDTRMHGSZ-UHFFFAOYSA-N 0 0 405.264 4.212 20 30 HIEDRN Cc1nc(-c2ccncc2)nc(N2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000553310217 941865121 /nfs/dbraw/zinc/86/51/21/941865121.db2.gz GVDFHILGCFUNDU-UHFFFAOYSA-N 0 0 403.461 4.214 20 30 HIEDRN COc1ccccc1O[C@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000553388376 941877920 /nfs/dbraw/zinc/87/79/20/941877920.db2.gz BMRSMOVDEUKHSP-KRWDZBQOSA-N 0 0 404.426 4.071 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1sc(-c2ccccc2)nc1C ZINC000553393459 941878707 /nfs/dbraw/zinc/87/87/07/941878707.db2.gz UIEWXTHXDNWDTQ-UHFFFAOYSA-N 0 0 411.552 4.011 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000553417273 941881797 /nfs/dbraw/zinc/88/17/97/941881797.db2.gz KULSXLBVZMKMPZ-UHFFFAOYSA-N 0 0 424.497 4.103 20 30 HIEDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000553421236 941882268 /nfs/dbraw/zinc/88/22/68/941882268.db2.gz PGIZBVKDXJBEMF-WIYYLYMNSA-N 0 0 407.539 4.133 20 30 HIEDRN C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[C@H]1COc2ccccc21 ZINC000553433458 941883920 /nfs/dbraw/zinc/88/39/20/941883920.db2.gz BXCPNQDMOIQIPP-OXJNMPFZSA-N 0 0 423.944 4.499 20 30 HIEDRN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000553488443 941894195 /nfs/dbraw/zinc/89/41/95/941894195.db2.gz ZKLCWRNHNOYJSR-YCRPNKLZSA-N 0 0 407.514 4.217 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCc2c(ncn2-c2ccccc2)C1 ZINC000553516933 941900558 /nfs/dbraw/zinc/90/05/58/941900558.db2.gz GVJRNNDFHWPYKV-UHFFFAOYSA-N 0 0 405.383 4.272 20 30 HIEDRN C[C@@](O)(C1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1)C(F)(F)F ZINC000553522750 941901764 /nfs/dbraw/zinc/90/17/64/941901764.db2.gz GMRARHPTAVGCHC-QGZVFWFLSA-N 0 0 403.326 4.053 20 30 HIEDRN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000553556523 941908373 /nfs/dbraw/zinc/90/83/73/941908373.db2.gz LGOMXAOXDIWBEW-QGZVFWFLSA-N 0 0 406.364 4.460 20 30 HIEDRN N#Cc1nc(N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)ccc1C(F)(F)F ZINC000553578474 941913052 /nfs/dbraw/zinc/91/30/52/941913052.db2.gz MKWRTPPDDAROFW-QGZVFWFLSA-N 0 0 416.447 4.080 20 30 HIEDRN CC(C)(CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)Oc1ccccc1 ZINC000553588542 941914851 /nfs/dbraw/zinc/91/48/51/941914851.db2.gz FSDOVBLFWRJSEI-UHFFFAOYSA-N 0 0 411.477 4.108 20 30 HIEDRN COCCCOc1ccc(Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)cc1OC ZINC000553601917 941918361 /nfs/dbraw/zinc/91/83/61/941918361.db2.gz RNTSOGVSIZQQSD-UHFFFAOYSA-N 0 0 417.387 4.113 20 30 HIEDRN Cc1cc(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)n2c3ccccc3nc2c1C#N ZINC000553620593 941922810 /nfs/dbraw/zinc/92/28/10/941922810.db2.gz MNRGATBSIXVBRS-AVRDEDQJSA-N 0 0 400.486 4.387 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)cc1 ZINC000553621082 941922960 /nfs/dbraw/zinc/92/29/60/941922960.db2.gz YFIRFBQYLMNIAF-UHFFFAOYSA-N 0 0 409.449 4.029 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000553635366 941927882 /nfs/dbraw/zinc/92/78/82/941927882.db2.gz LQXJNVIOKKLDID-UHFFFAOYSA-N 0 0 411.506 4.191 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)cc1C ZINC000553645639 941931641 /nfs/dbraw/zinc/93/16/41/941931641.db2.gz BDLKIWWQSWIPEC-QGZVFWFLSA-N 0 0 412.497 4.448 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCCN(c3ccccc3F)CC2)c2ccccc21 ZINC000553655469 941935971 /nfs/dbraw/zinc/93/59/71/941935971.db2.gz AZMFMDZFULBJTL-UHFFFAOYSA-N 0 0 404.489 4.437 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)c1ccccc1F ZINC000553681124 941943599 /nfs/dbraw/zinc/94/35/99/941943599.db2.gz XFZPSNKXGOHXAF-HNNXBMFYSA-N 0 0 413.518 4.252 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](O)Cc2ccccc2)c1 ZINC000553695778 941946410 /nfs/dbraw/zinc/94/64/10/941946410.db2.gz TVJPJSKZOMTYJT-GOSISDBHSA-N 0 0 406.869 4.337 20 30 HIEDRN Cc1cc(-c2noc([C@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000553729313 941953565 /nfs/dbraw/zinc/95/35/65/941953565.db2.gz QYVVTQJYXKBHCB-INIZCTEOSA-N 0 0 405.477 4.375 20 30 HIEDRN Cc1sc([C@H](C)NS(=O)(=O)c2ccc(C#N)o2)nc1-c1ccc(Cl)cc1 ZINC000553762589 941962032 /nfs/dbraw/zinc/96/20/32/941962032.db2.gz MDLMPEJIGNXAJB-JTQLQIEISA-N 0 0 407.904 4.276 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](c2ccco2)C1 ZINC000553839529 941981119 /nfs/dbraw/zinc/98/11/19/941981119.db2.gz JLXZQSNMGBADBJ-SWLSCSKDSA-N 0 0 409.305 4.076 20 30 HIEDRN CN(Cc1ccc(Br)cc1C#N)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000553884370 941990639 /nfs/dbraw/zinc/99/06/39/941990639.db2.gz VNOMKFCIXOPANU-FQEVSTJZSA-N 0 0 413.294 4.415 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000553898968 941994041 /nfs/dbraw/zinc/99/40/41/941994041.db2.gz GDPZYTLVUNRMBE-FQEVSTJZSA-N 0 0 410.905 4.227 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)cc1 ZINC000553899174 941994123 /nfs/dbraw/zinc/99/41/23/941994123.db2.gz IUIAXFDZABUSQQ-UHFFFAOYSA-N 0 0 404.514 4.456 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000553900423 941994679 /nfs/dbraw/zinc/99/46/79/941994679.db2.gz FEEDOCQHKQBSEW-GOSISDBHSA-N 0 0 421.419 4.028 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000554172770 942056709 /nfs/dbraw/zinc/05/67/09/942056709.db2.gz UBQVFQNCPBIIDP-GOSISDBHSA-N 0 0 422.312 4.154 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000554181199 942059906 /nfs/dbraw/zinc/05/99/06/942059906.db2.gz ANIAAGVYMURNBB-UHFFFAOYSA-N 0 0 409.442 4.227 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000554191222 942062638 /nfs/dbraw/zinc/06/26/38/942062638.db2.gz ICHPXERPHDBQKZ-QAPCUYQASA-N 0 0 419.403 4.375 20 30 HIEDRN CC(=O)Nc1ccc(NC(=O)CNc2ccc(Cl)c(C#N)c2)c(C(F)(F)F)c1 ZINC000554195579 942063729 /nfs/dbraw/zinc/06/37/29/942063729.db2.gz DHMKVWNGGMYPPM-UHFFFAOYSA-N 0 0 410.783 4.239 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000554251482 942079009 /nfs/dbraw/zinc/07/90/09/942079009.db2.gz QHERYWIGEMJDHU-CVDCTZTESA-N 0 0 406.505 4.407 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000554251484 942079358 /nfs/dbraw/zinc/07/93/58/942079358.db2.gz QHERYWIGEMJDHU-XXBNENTESA-N 0 0 406.505 4.407 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000554256278 942080918 /nfs/dbraw/zinc/08/09/18/942080918.db2.gz KWIPNYLXVQKHQQ-FQEVSTJZSA-N 0 0 404.869 4.327 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000554297061 942094291 /nfs/dbraw/zinc/09/42/91/942094291.db2.gz QTTKFSNUNJQGJH-UHFFFAOYSA-N 0 0 407.848 4.162 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](c1ncccc1C)C(C)C ZINC000554302172 942096074 /nfs/dbraw/zinc/09/60/74/942096074.db2.gz CLNQFDLQTOTZEJ-KRWDZBQOSA-N 0 0 405.951 4.133 20 30 HIEDRN Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)N(C)Cc1cccc(C#N)c1)C(C)C ZINC000554320162 942103452 /nfs/dbraw/zinc/10/34/52/942103452.db2.gz VCPBWQZJQZSUSE-NRFANRHFSA-N 0 0 403.482 4.085 20 30 HIEDRN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000554340888 942107453 /nfs/dbraw/zinc/10/74/53/942107453.db2.gz PJGSMVMINPTKCF-JTQLQIEISA-N 0 0 420.300 4.237 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1Cl ZINC000554398878 942125911 /nfs/dbraw/zinc/12/59/11/942125911.db2.gz FPURUNFVAWTCBK-PZJWPPBQSA-N 0 0 423.900 4.207 20 30 HIEDRN C=CCOc1ccc(CNC(=O)Nc2cccc(Br)c2COC)cc1 ZINC000554425588 942138084 /nfs/dbraw/zinc/13/80/84/942138084.db2.gz ISOXFXBPGJHYST-UHFFFAOYSA-N 0 0 405.292 4.482 20 30 HIEDRN C=CCOc1ccc(CNC(=O)Nc2cccc(NS(=O)(=O)CCC)c2C)cc1 ZINC000554440713 942144435 /nfs/dbraw/zinc/14/44/35/942144435.db2.gz WXJSKUOWRDWGSI-UHFFFAOYSA-N 0 0 417.531 4.033 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000554463608 942151772 /nfs/dbraw/zinc/15/17/72/942151772.db2.gz QUIIWSGSJRUFCV-UHFFFAOYSA-N 0 0 400.519 4.236 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000554502384 942160267 /nfs/dbraw/zinc/16/02/67/942160267.db2.gz OILJFVZLOJGMLU-KRWDZBQOSA-N 0 0 403.404 4.273 20 30 HIEDRN CCCOc1nc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc2ccccc21 ZINC000554542051 942165217 /nfs/dbraw/zinc/16/52/17/942165217.db2.gz GGXLBLYTKKRHJK-UHFFFAOYSA-N 0 0 400.482 4.116 20 30 HIEDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c21 ZINC000554540857 942165413 /nfs/dbraw/zinc/16/54/13/942165413.db2.gz IKMPESBJKCQHLI-UHFFFAOYSA-N 0 0 415.497 4.316 20 30 HIEDRN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000554542940 942166162 /nfs/dbraw/zinc/16/61/62/942166162.db2.gz MQEUJBHWLMREKG-UHFFFAOYSA-N 0 0 411.914 4.134 20 30 HIEDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000554557595 942167186 /nfs/dbraw/zinc/16/71/86/942167186.db2.gz DQYFNYHMWIIBNC-SFHVURJKSA-N 0 0 419.529 4.008 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000554557798 942167326 /nfs/dbraw/zinc/16/73/26/942167326.db2.gz HPBYOWFITQEBJK-IBGZPJMESA-N 0 0 420.513 4.119 20 30 HIEDRN CC(C)(C)C[C@@H](NC(=O)CN1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000554565196 942168678 /nfs/dbraw/zinc/16/86/78/942168678.db2.gz BPCCLCCOJSMFNK-OAQYLSRUSA-N 0 0 422.548 4.372 20 30 HIEDRN CSc1cnn(-c2ccccc2)c1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554578205 942170510 /nfs/dbraw/zinc/17/05/10/942170510.db2.gz KSMHXNWUHOGWOQ-UHFFFAOYSA-N 0 0 418.526 4.078 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000554580523 942171004 /nfs/dbraw/zinc/17/10/04/942171004.db2.gz ACDPYPPNLUNVDJ-UHFFFAOYSA-N 0 0 408.889 4.281 20 30 HIEDRN COc1ccc2oc([C@H](C)NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c(C)c2c1 ZINC000554603700 942174173 /nfs/dbraw/zinc/17/41/73/942174173.db2.gz MMPWLZJFIJWUNA-KRWDZBQOSA-N 0 0 418.497 4.473 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1ccccc1 ZINC000554628750 942178750 /nfs/dbraw/zinc/17/87/50/942178750.db2.gz DKQGKBSMNICDAY-DHIUTWEWSA-N 0 0 406.526 4.018 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1ccccc1 ZINC000554628755 942179018 /nfs/dbraw/zinc/17/90/18/942179018.db2.gz DKQGKBSMNICDAY-PKTZIBPZSA-N 0 0 406.526 4.018 20 30 HIEDRN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000554643399 942185115 /nfs/dbraw/zinc/18/51/15/942185115.db2.gz MSJWZMBMMSEPBF-SFHVURJKSA-N 0 0 419.485 4.278 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000554734725 942215489 /nfs/dbraw/zinc/21/54/89/942215489.db2.gz LYNFVMDYZAPUSJ-KRWDZBQOSA-N 0 0 403.335 4.009 20 30 HIEDRN COC(=O)c1cccc(-c2nc(CN(C)CCOCc3ccc(C#N)cc3)cs2)c1 ZINC000554745980 942218546 /nfs/dbraw/zinc/21/85/46/942218546.db2.gz RNENHNAXTREWRC-UHFFFAOYSA-N 0 0 421.522 4.117 20 30 HIEDRN CSC[C@@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000554776177 942232216 /nfs/dbraw/zinc/23/22/16/942232216.db2.gz MJPCRUQTOHYNCP-LJQANCHMSA-N 0 0 418.975 4.483 20 30 HIEDRN CCOC(=O)c1csc([C@@H]2CCCN2c2cc(Br)c(C#N)cc2F)n1 ZINC000554801622 942246381 /nfs/dbraw/zinc/24/63/81/942246381.db2.gz OHAOIHPIIHZTMV-AWEZNQCLSA-N 0 0 424.295 4.435 20 30 HIEDRN CSc1nc(C2CC2)cc(-c2nc(-c3ccc(Br)cn3)no2)c1C#N ZINC000554814985 942256757 /nfs/dbraw/zinc/25/67/57/942256757.db2.gz NABZLEOVLZSEMS-UHFFFAOYSA-N 0 0 414.288 4.427 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000554838151 942275790 /nfs/dbraw/zinc/27/57/90/942275790.db2.gz OETYKWXPQWDWIT-LJQANCHMSA-N 0 0 420.431 4.193 20 30 HIEDRN CC(C)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C ZINC000554866100 942298510 /nfs/dbraw/zinc/29/85/10/942298510.db2.gz VBPMIJVRLPUNLB-GFCCVEGCSA-N 0 0 403.577 4.260 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1C#N ZINC000554879998 942305857 /nfs/dbraw/zinc/30/58/57/942305857.db2.gz NKKUVJHCMLMZHL-UHFFFAOYSA-N 0 0 416.485 4.123 20 30 HIEDRN C=CCn1c(SCCc2ccnn2C)nc2scc(-c3cccs3)c2c1=O ZINC000554885169 942307842 /nfs/dbraw/zinc/30/78/42/942307842.db2.gz ORYCUISHURWATE-UHFFFAOYSA-N 0 0 414.581 4.441 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)cc2)cc1 ZINC000554908234 942315286 /nfs/dbraw/zinc/31/52/86/942315286.db2.gz LCKAGHSRBJAHCM-AVRDEDQJSA-N 0 0 421.497 4.040 20 30 HIEDRN C=CCn1c(-c2cccnc2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000554925263 942322258 /nfs/dbraw/zinc/32/22/58/942322258.db2.gz CGWMPPZBBRNZDY-UHFFFAOYSA-N 0 0 419.920 4.120 20 30 HIEDRN C=CCn1c(COc2cccc(C)c2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC000554932501 942324151 /nfs/dbraw/zinc/32/41/51/942324151.db2.gz VZRRDMGKFVIHSJ-UHFFFAOYSA-N 0 0 404.514 4.441 20 30 HIEDRN C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000554953854 942331288 /nfs/dbraw/zinc/33/12/88/942331288.db2.gz HZFMEOGQFVCTAN-QGZVFWFLSA-N 0 0 424.932 4.058 20 30 HIEDRN C[C@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)OCCc2sccc21 ZINC000555074190 942377144 /nfs/dbraw/zinc/37/71/44/942377144.db2.gz OXKCUURYWURNFE-XMMPIXPASA-N 0 0 418.518 4.417 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)CCCCCO[C@@H]3CCC[C@@H](C)C3)CC2)c1C#N ZINC000555073764 942377389 /nfs/dbraw/zinc/37/73/89/942377389.db2.gz KLAYDVDJAVOLEE-IEBWSBKVSA-N 0 0 418.607 4.128 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000555075617 942378115 /nfs/dbraw/zinc/37/81/15/942378115.db2.gz KKGSNYKQYKIBRN-DLBZAZTESA-N 0 0 412.371 4.385 20 30 HIEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cccc(Br)c1C#N ZINC000555129372 942394909 /nfs/dbraw/zinc/39/49/09/942394909.db2.gz KPGQLANUIXWWCO-UHFFFAOYSA-N 0 0 421.302 4.005 20 30 HIEDRN N#Cc1cc(N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)nc2ccccc12 ZINC000555134862 942398415 /nfs/dbraw/zinc/39/84/15/942398415.db2.gz DCOYYFVXSRQNIS-INIZCTEOSA-N 0 0 403.461 4.284 20 30 HIEDRN CC(C)c1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)cn1 ZINC000555142168 942401811 /nfs/dbraw/zinc/40/18/11/942401811.db2.gz HILTWMDPQWEHOM-UHFFFAOYSA-N 0 0 423.524 4.415 20 30 HIEDRN C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccccc2)CC1 ZINC000555172923 942415776 /nfs/dbraw/zinc/41/57/76/942415776.db2.gz AETBJENGNNZJTF-UHFFFAOYSA-N 0 0 412.335 4.251 20 30 HIEDRN N#C[C@H]1CN(c2nnc(-c3cc4c(s3)CCCCC4)n2Cc2ccccc2)CCO1 ZINC000555184048 942421728 /nfs/dbraw/zinc/42/17/28/942421728.db2.gz NAAJLXOACKHZHS-IBGZPJMESA-N 0 0 419.554 4.053 20 30 HIEDRN CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccccc1 ZINC000555187143 942422978 /nfs/dbraw/zinc/42/29/78/942422978.db2.gz GTSGVGNERBFKSL-PGRDOPGGSA-N 0 0 401.514 4.402 20 30 HIEDRN Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCc2ccccc2)c1 ZINC000555198493 942428344 /nfs/dbraw/zinc/42/83/44/942428344.db2.gz POGZKDPVQZMNNO-HXUWFJFHSA-N 0 0 403.530 4.313 20 30 HIEDRN CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)C1 ZINC000555199230 942428371 /nfs/dbraw/zinc/42/83/71/942428371.db2.gz YVQXTKRJRUIBCP-DEOSSOPVSA-N 0 0 401.514 4.065 20 30 HIEDRN COc1ccccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC000555200340 942428763 /nfs/dbraw/zinc/42/87/63/942428763.db2.gz IVENYIRROAEQCC-UHFFFAOYSA-N 0 0 401.514 4.326 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC000555240946 942442405 /nfs/dbraw/zinc/44/24/05/942442405.db2.gz GLEPGYBMZZNCDC-HSZRJFAPSA-N 0 0 417.469 4.065 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000555242754 942443179 /nfs/dbraw/zinc/44/31/79/942443179.db2.gz XWVKLYDQFQPQIX-HXUWFJFHSA-N 0 0 416.529 4.080 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000555241797 942443298 /nfs/dbraw/zinc/44/32/98/942443298.db2.gz TZZKPFOCJIKFHP-DEOSSOPVSA-N 0 0 420.488 4.208 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC000555242161 942443304 /nfs/dbraw/zinc/44/33/04/942443304.db2.gz FCRZZKVMFXUMLK-DEOSSOPVSA-N 0 0 406.505 4.336 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000555250101 942446030 /nfs/dbraw/zinc/44/60/30/942446030.db2.gz BEJXWAWXXNNVBO-NRFANRHFSA-N 0 0 419.573 4.140 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000555253504 942447830 /nfs/dbraw/zinc/44/78/30/942447830.db2.gz IRZLVAXHWIFJFF-GOSISDBHSA-N 0 0 408.575 4.169 20 30 HIEDRN C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000555253693 942447951 /nfs/dbraw/zinc/44/79/51/942447951.db2.gz PLELGTKFPRHDAL-SFHVURJKSA-N 0 0 422.508 4.380 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC000555256645 942449695 /nfs/dbraw/zinc/44/96/95/942449695.db2.gz ZPWIHEHCETZVPU-QFIPXVFZSA-N 0 0 404.514 4.032 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C2CCOCC2)CC1 ZINC000555257407 942449846 /nfs/dbraw/zinc/44/98/46/942449846.db2.gz PNOXNVOHGPQTGP-JOCHJYFZSA-N 0 0 424.545 4.010 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC000555257180 942449888 /nfs/dbraw/zinc/44/98/88/942449888.db2.gz IEUHMYYLGOLQNY-UHFFFAOYSA-N 0 0 416.451 4.486 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000555256290 942449931 /nfs/dbraw/zinc/44/99/31/942449931.db2.gz UQBIFSGCVNGYGH-DFBJGRDBSA-N 0 0 418.541 4.449 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H](C)c1nccs1 ZINC000555257093 942449987 /nfs/dbraw/zinc/44/99/87/942449987.db2.gz DHRDIGQOAHIQBZ-HNNXBMFYSA-N 0 0 413.547 4.235 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000555256753 942450034 /nfs/dbraw/zinc/45/00/34/942450034.db2.gz QRPOJTRKEOGQLI-KRWDZBQOSA-N 0 0 415.950 4.133 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2cccs2)C1 ZINC000555260735 942451663 /nfs/dbraw/zinc/45/16/63/942451663.db2.gz KCHAGWSERSNGQT-LJQANCHMSA-N 0 0 410.543 4.093 20 30 HIEDRN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000555262819 942452720 /nfs/dbraw/zinc/45/27/20/942452720.db2.gz WIYMUNGUVBYARV-HZPDHXFCSA-N 0 0 416.957 4.271 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000555267404 942454847 /nfs/dbraw/zinc/45/48/47/942454847.db2.gz YNMZXHBWYDSFKK-IBGZPJMESA-N 0 0 419.529 4.220 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000555267185 942455113 /nfs/dbraw/zinc/45/51/13/942455113.db2.gz QJHJXPNCVQAWQE-INIZCTEOSA-N 0 0 404.917 4.477 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)OCCc1ccsc12 ZINC000555267215 942455169 /nfs/dbraw/zinc/45/51/69/942455169.db2.gz RHPJDXSFCNRJHU-UHFFFAOYSA-N 0 0 421.570 4.355 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC000555269664 942456009 /nfs/dbraw/zinc/45/60/09/942456009.db2.gz RLGDIKYBGSCDSU-SFHVURJKSA-N 0 0 418.497 4.252 20 30 HIEDRN C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC000555271286 942457063 /nfs/dbraw/zinc/45/70/63/942457063.db2.gz AVXOFVFPEWQKPS-UHFFFAOYSA-N 0 0 424.593 4.162 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000555272755 942457925 /nfs/dbraw/zinc/45/79/25/942457925.db2.gz NQXYEHHHNMUZDE-NRFANRHFSA-N 0 0 418.541 4.456 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000555277216 942459418 /nfs/dbraw/zinc/45/94/18/942459418.db2.gz VLEQIVOFLXJJRY-UHFFFAOYSA-N 0 0 411.259 4.076 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000555287374 942462784 /nfs/dbraw/zinc/46/27/84/942462784.db2.gz CTGMCKVYCVCBFW-UHFFFAOYSA-N 0 0 401.599 4.108 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCCCC)CC1 ZINC000555290353 942464288 /nfs/dbraw/zinc/46/42/88/942464288.db2.gz CBNHOBUKZBTMGI-UHFFFAOYSA-N 0 0 412.534 4.078 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC000555309343 942471282 /nfs/dbraw/zinc/47/12/82/942471282.db2.gz QKOAQVKTAHTHFP-JOCHJYFZSA-N 0 0 415.541 4.312 20 30 HIEDRN CCOCCCn1c(Cc2ccccc2Cl)nnc1N(C)Cc1cccc(C#N)c1 ZINC000555311930 942472212 /nfs/dbraw/zinc/47/22/12/942472212.db2.gz MVSPRSZLYHGCIU-UHFFFAOYSA-N 0 0 423.948 4.457 20 30 HIEDRN C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000555313977 942473019 /nfs/dbraw/zinc/47/30/19/942473019.db2.gz QHQUATQTDULLNG-CYBMUJFWSA-N 0 0 414.387 4.260 20 30 HIEDRN CC(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1 ZINC000555344020 942485642 /nfs/dbraw/zinc/48/56/42/942485642.db2.gz HIDHTRFSFQEKKC-ZDUSSCGKSA-N 0 0 401.923 4.198 20 30 HIEDRN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC000555362399 942495374 /nfs/dbraw/zinc/49/53/74/942495374.db2.gz UKEWPZYDGUXDBF-NRFANRHFSA-N 0 0 405.477 4.190 20 30 HIEDRN COc1cc(Cl)ccc1-c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC000555377814 942503437 /nfs/dbraw/zinc/50/34/37/942503437.db2.gz ZVJQRNZOPUTREU-UHFFFAOYSA-N 0 0 413.934 4.457 20 30 HIEDRN C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000555381333 942505090 /nfs/dbraw/zinc/50/50/90/942505090.db2.gz NGLKIPFRJKEBOJ-PGRDOPGGSA-N 0 0 401.514 4.236 20 30 HIEDRN Cc1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)ccc1F ZINC000555384044 942505489 /nfs/dbraw/zinc/50/54/89/942505489.db2.gz UHNVUEMYOLXEBI-HXUWFJFHSA-N 0 0 405.477 4.080 20 30 HIEDRN CC1(C#N)CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2C[C@H]2CCCO2)CC1 ZINC000555396018 942513281 /nfs/dbraw/zinc/51/32/81/942513281.db2.gz YIHAPGSOJXPYCD-QGZVFWFLSA-N 0 0 419.451 4.273 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@H]2CCCO2)cc1 ZINC000555403957 942518381 /nfs/dbraw/zinc/51/83/81/942518381.db2.gz JBJQQZNOBPUTFL-ZJSXRUAMSA-N 0 0 403.530 4.322 20 30 HIEDRN CC(C)c1noc(Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000555429596 942528032 /nfs/dbraw/zinc/52/80/32/942528032.db2.gz RODHMZQYTZYQKA-UHFFFAOYSA-N 0 0 416.890 4.110 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCCC4(CCCCC4)C3)n2C[C@H]2CCOC2)c1 ZINC000555450420 942554051 /nfs/dbraw/zinc/55/40/51/942554051.db2.gz FTDJJEBIIDRLTO-HXUWFJFHSA-N 0 0 405.546 4.404 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC1 ZINC000555452260 942555077 /nfs/dbraw/zinc/55/50/77/942555077.db2.gz QZSRPBBLULKWBO-SFHVURJKSA-N 0 0 407.905 4.143 20 30 HIEDRN CN(Cc1csc(Br)c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555461398 942563203 /nfs/dbraw/zinc/56/32/03/942563203.db2.gz DUHZSFKBZHAKBG-UHFFFAOYSA-N 0 0 404.211 4.068 20 30 HIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@H]1CCCCO1 ZINC000555482913 942585586 /nfs/dbraw/zinc/58/55/86/942585586.db2.gz WZEWFWMJJOLYPC-FUHWJXTLSA-N 0 0 413.591 4.440 20 30 HIEDRN C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCCO1 ZINC000555484661 942586498 /nfs/dbraw/zinc/58/64/98/942586498.db2.gz AGPWBULVNQRNIX-JTDSTZFVSA-N 0 0 417.941 4.236 20 30 HIEDRN CCc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)cc1 ZINC000555492401 942594952 /nfs/dbraw/zinc/59/49/52/942594952.db2.gz FFJHNSSZOSHUPN-OAQYLSRUSA-N 0 0 401.514 4.052 20 30 HIEDRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000555528857 942629436 /nfs/dbraw/zinc/62/94/36/942629436.db2.gz UDXPYAJQXHPNLB-AWEZNQCLSA-N 0 0 407.420 4.311 20 30 HIEDRN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)nc1 ZINC000555685081 942700103 /nfs/dbraw/zinc/70/01/03/942700103.db2.gz KKERZAYZXDWGAY-UHFFFAOYSA-N 0 0 406.417 4.223 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000555683982 942700686 /nfs/dbraw/zinc/70/06/86/942700686.db2.gz ODHOIMSVTYBOND-UHFFFAOYSA-N 0 0 412.474 4.403 20 30 HIEDRN N#Cc1cc(C(=O)N[C@H]2CCc3c2cccc3Br)cnc1C(F)(F)F ZINC000555802596 942738594 /nfs/dbraw/zinc/73/85/94/942738594.db2.gz PQADPMFZYIKBIG-AWEZNQCLSA-N 0 0 410.193 4.152 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)NCc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000555841332 942749111 /nfs/dbraw/zinc/74/91/11/942749111.db2.gz XKMVHPUBLRQDAX-QGZVFWFLSA-N 0 0 406.404 4.025 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3cccc(F)c3Br)CC2)cc1 ZINC000555865223 942758004 /nfs/dbraw/zinc/75/80/04/942758004.db2.gz WUSJQRAOZNXVDZ-UHFFFAOYSA-N 0 0 403.251 4.143 20 30 HIEDRN Cc1nnc(SCC(=O)N[C@@](C)(C#N)C2CCCCC2)n1-c1cc(C)ccc1C ZINC000555902686 942769373 /nfs/dbraw/zinc/76/93/73/942769373.db2.gz NNCXQIWDAPLAAK-QFIPXVFZSA-N 0 0 411.575 4.263 20 30 HIEDRN CCn1c(SCC(=O)N[C@](C)(C#N)C2CCCCC2)nnc1-c1cccs1 ZINC000555904773 942769889 /nfs/dbraw/zinc/76/98/89/942769889.db2.gz RFIIEMQVVOWAOU-LJQANCHMSA-N 0 0 403.577 4.097 20 30 HIEDRN C[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)Oc1ccccc1Cl ZINC000555958547 942779619 /nfs/dbraw/zinc/77/96/19/942779619.db2.gz JAKYLJULPZSJCW-LBPRGKRZSA-N 0 0 419.934 4.093 20 30 HIEDRN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2sccc2C#N)C1 ZINC000556010095 942785033 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403.324 4.041 20 30 HIEDRN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000558455657 943564603 /nfs/dbraw/zinc/56/46/03/943564603.db2.gz CVSNWORGHWLOJD-RXVVDRJESA-N 0 0 422.554 4.387 20 30 HIEDRN C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000558456884 943565025 /nfs/dbraw/zinc/56/50/25/943565025.db2.gz NBCZBVDZJQZOHQ-IBGZPJMESA-N 0 0 421.570 4.414 20 30 HIEDRN COc1cc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)ccc1C#N ZINC000558487371 943572787 /nfs/dbraw/zinc/57/27/87/943572787.db2.gz XWWWGZOROGHQAV-UHFFFAOYSA-N 0 0 400.438 4.141 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cc1F ZINC000558499747 943577098 /nfs/dbraw/zinc/57/70/98/943577098.db2.gz INLSZDVQECTOPI-QGZVFWFLSA-N 0 0 422.229 4.204 20 30 HIEDRN Cc1cc(Cc2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)ccc1Br ZINC000558518668 943586257 /nfs/dbraw/zinc/58/62/57/943586257.db2.gz CCJCBKWYBMOREL-QGZVFWFLSA-N 0 0 407.271 4.453 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cn3ccc(Br)cc3n2)no1 ZINC000558519250 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HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000558919077 943746395 /nfs/dbraw/zinc/74/63/95/943746395.db2.gz AKDLSRCAWHOMDR-UGKGYDQZSA-N 0 0 422.550 4.007 20 30 HIEDRN CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)CCO1 ZINC000558945908 943766442 /nfs/dbraw/zinc/76/64/42/943766442.db2.gz OUUNVINHENOLET-JOCHJYFZSA-N 0 0 401.514 4.065 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2)cc1 ZINC000558946881 943767315 /nfs/dbraw/zinc/76/73/15/943767315.db2.gz DZZYCKKVUONTOS-QFIPXVFZSA-N 0 0 415.541 4.214 20 30 HIEDRN O=C(NCC#Cc1cccc(F)c1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000558960350 943771361 /nfs/dbraw/zinc/77/13/61/943771361.db2.gz TVMLRMFJZZGHRO-UHFFFAOYSA-N 0 0 419.269 4.453 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC000558963980 943773125 /nfs/dbraw/zinc/77/31/25/943773125.db2.gz BEJRGNVEBXAGGH-UHFFFAOYSA-N 0 0 413.953 4.156 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC2(CCO2)CC1 ZINC000558966154 943774059 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HIEDRN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C(=O)NCCCC)CC1 ZINC000558986478 943788017 /nfs/dbraw/zinc/78/80/17/943788017.db2.gz QBRDHHCVPZBCQM-UHFFFAOYSA-N 0 0 413.541 4.101 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC000558988647 943789361 /nfs/dbraw/zinc/78/93/61/943789361.db2.gz RERCRGDXXICLHN-JOCHJYFZSA-N 0 0 415.541 4.266 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000558989319 943789657 /nfs/dbraw/zinc/78/96/57/943789657.db2.gz QSCWTWVRKJRFAF-QFIPXVFZSA-N 0 0 406.505 4.470 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000558988362 943790060 /nfs/dbraw/zinc/79/00/60/943790060.db2.gz YNJITAWTHKPBQG-UHFFFAOYSA-N 0 0 411.575 4.157 20 30 HIEDRN C=C(C)Cn1c(COCC)nnc1N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000558994237 943793392 /nfs/dbraw/zinc/79/33/92/943793392.db2.gz VAVPMLNEEJKVSB-UHFFFAOYSA-N 0 0 410.349 4.024 20 30 HIEDRN C=C(C)Cn1c(CCCC)nnc1N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000558998359 943796503 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4.077 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H](C)c1nccs1 ZINC000559008504 943801526 /nfs/dbraw/zinc/80/15/26/943801526.db2.gz ZCOPBRAFFYPIJP-HNNXBMFYSA-N 0 0 401.511 4.269 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000559006700 943801728 /nfs/dbraw/zinc/80/17/28/943801728.db2.gz ZGGAUPMDRRDLGT-WZONZLPQSA-N 0 0 420.517 4.008 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](COCC)C1 ZINC000559010711 943803186 /nfs/dbraw/zinc/80/31/86/943803186.db2.gz GUNSYPNNWAVLEK-OAHLLOKOSA-N 0 0 405.340 4.147 20 30 HIEDRN CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 ZINC000559013195 943804314 /nfs/dbraw/zinc/80/43/14/943804314.db2.gz QPCJOTGDPCWUFC-QGZVFWFLSA-N 0 0 409.559 4.047 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000559027526 943809057 /nfs/dbraw/zinc/80/90/57/943809057.db2.gz NLVZLGCWXWKNLL-HXUWFJFHSA-N 0 0 414.456 4.089 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000559029201 943809986 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CC(C)c1cccc(-c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)o2)c1 ZINC000571309805 947589414 /nfs/dbraw/zinc/58/94/14/947589414.db2.gz NFBUJVDWBUZHBK-UHFFFAOYSA-N 0 0 400.482 4.299 20 30 HIEDRN COc1cc(CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1C#N ZINC000571339176 947607465 /nfs/dbraw/zinc/60/74/65/947607465.db2.gz BXRDNEVTEQWEFE-UHFFFAOYSA-N 0 0 407.420 4.434 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)c1ccccc1 ZINC000571352938 947614694 /nfs/dbraw/zinc/61/46/94/947614694.db2.gz LOAVMXPOZCTYSC-INMHGKMJSA-N 0 0 415.563 4.070 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000571360661 947619789 /nfs/dbraw/zinc/61/97/89/947619789.db2.gz FYGPFCMXXLWLEZ-UHFFFAOYSA-N 0 0 409.820 4.494 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@@H](c3cccs3)C3CC3)cc2)ccn1 ZINC000571368915 947625711 /nfs/dbraw/zinc/62/57/11/947625711.db2.gz OMMQIRZKYJCWMC-HXUWFJFHSA-N 0 0 418.478 4.013 20 30 HIEDRN C=CC[C@H]1N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2)CCCC1(C)C ZINC000571371149 947627205 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CS(=O)(=O)c1ccsc1NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000571600369 947724117 /nfs/dbraw/zinc/72/41/17/947724117.db2.gz VFIWMSWKCQETRX-UHFFFAOYSA-N 0 0 412.492 4.262 20 30 HIEDRN C=CCn1c(CCc2ccco2)nnc1N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000571843223 947802591 /nfs/dbraw/zinc/80/25/91/947802591.db2.gz XJRGBTRKQMKSBI-UHFFFAOYSA-N 0 0 421.328 4.148 20 30 HIEDRN O=C1N[C@@H](CC(F)(F)F)C(=O)N1c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000571848426 947804581 /nfs/dbraw/zinc/80/45/81/947804581.db2.gz VOCSLACOVRWLIA-QMMMGPOBSA-N 0 0 424.219 4.024 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)c(Br)c1 ZINC000571919336 947811220 /nfs/dbraw/zinc/81/12/20/947811220.db2.gz RUGXDCUIXZDMEW-UHFFFAOYSA-N 0 0 410.065 4.344 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000571941177 947817021 /nfs/dbraw/zinc/81/70/21/947817021.db2.gz FVIXKJWDLGHGIR-INIZCTEOSA-N 0 0 402.454 4.424 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)Cc1cscn1 ZINC000572018474 947828852 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C=CCn1c(-c2sccc2C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000574578686 948480302 /nfs/dbraw/zinc/48/03/02/948480302.db2.gz MUXUTWXLXKIRCX-QGZVFWFLSA-N 0 0 409.559 4.157 20 30 HIEDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H]1n1cccn1 ZINC000574668921 948500140 /nfs/dbraw/zinc/50/01/40/948500140.db2.gz AFLDVBYMBDRNDI-VWPQPMDRSA-N 0 0 418.522 4.054 20 30 HIEDRN COCC[C@](C)(C#N)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000574673663 948501552 /nfs/dbraw/zinc/50/15/52/948501552.db2.gz IFAKDUHYKSNGSZ-HXUWFJFHSA-N 0 0 416.934 4.157 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC000574699109 948505881 /nfs/dbraw/zinc/50/58/81/948505881.db2.gz PRMIMKICMNOJEM-MRXNPFEDSA-N 0 0 403.490 4.078 20 30 HIEDRN N#Cc1cc(NC(=O)c2cc(F)ccc2I)nc2ccccc12 ZINC000574697668 948506554 /nfs/dbraw/zinc/50/65/54/948506554.db2.gz XKXFMSVGGQNQJF-UHFFFAOYSA-N 0 0 417.181 4.102 20 30 HIEDRN Cc1nc(NC(=O)Cc2noc(C)c2C#N)sc1Cc1ccc(Cl)cc1F ZINC000574753578 948521687 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ZINC000430648457 858247105 /nfs/dbraw/zinc/24/71/05/858247105.db2.gz RANRVHPUGXJVON-INIZCTEOSA-N 0 0 420.538 4.367 20 30 HIEDRN C=CCN(C(=O)c1cccc(C(F)(F)F)c1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430695797 858272220 /nfs/dbraw/zinc/27/22/20/858272220.db2.gz AGYXHJLXEVWDEL-CYBMUJFWSA-N 0 0 419.382 4.210 20 30 HIEDRN C=CCN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430704447 858273804 /nfs/dbraw/zinc/27/38/04/858273804.db2.gz XOKPLSANCLAIQJ-QGZVFWFLSA-N 0 0 405.502 4.229 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000430739019 858282799 /nfs/dbraw/zinc/28/27/99/858282799.db2.gz CJURKMMRBSCGKG-CYBMUJFWSA-N 0 0 413.861 4.454 20 30 HIEDRN N#Cc1ccccc1CSCCN1C(=O)N[C@H](Cc2cccc3ccccc32)C1=O ZINC000430764171 858295357 /nfs/dbraw/zinc/29/53/57/858295357.db2.gz GAJUZBFXRHXGMU-JOCHJYFZSA-N 0 0 415.518 4.108 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccc(C#N)s2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430811574 858313258 /nfs/dbraw/zinc/31/32/58/858313258.db2.gz QGLBTGBOIRKASF-MRXNPFEDSA-N 0 0 401.491 4.449 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430823643 858318215 /nfs/dbraw/zinc/31/82/15/858318215.db2.gz UGUIBYWPKZCQJV-ZETCQYMHSA-N 0 0 411.321 4.039 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430853827 858334794 /nfs/dbraw/zinc/33/47/94/858334794.db2.gz IZXNWEAESZXEIS-HTAPYJJXSA-N 0 0 417.509 4.158 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccccc2N2CCCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430894211 858358039 /nfs/dbraw/zinc/35/80/39/858358039.db2.gz JTURUZMPSYXCQY-HSZRJFAPSA-N 0 0 403.526 4.238 20 30 HIEDRN C=CCc1cc(CN2C(=O)[C@@H]3C[C@H](C4CCCCC4)CN3C2=O)cc(OC)c1OC ZINC000430995697 858397159 /nfs/dbraw/zinc/39/71/59/858397159.db2.gz HWEATOIRHKGTFO-PMACEKPBSA-N 0 0 412.530 4.165 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)C2)n1 ZINC000431140787 858467232 /nfs/dbraw/zinc/46/72/32/858467232.db2.gz QZFSDAUJXLWBDY-NKKJXINNSA-N 0 0 410.521 4.304 20 30 HIEDRN COCCn1nc(C)c(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1C ZINC000431188766 858495159 /nfs/dbraw/zinc/49/51/59/858495159.db2.gz XXFJIWHPDJZBOY-UHFFFAOYSA-N 0 0 405.458 4.454 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000431234762 858522181 /nfs/dbraw/zinc/52/21/81/858522181.db2.gz VXVOHFMGASUDSV-QZTZHPFYSA-N 0 0 406.482 4.149 20 30 HIEDRN C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)[C@H]1OCCc2sccc21 ZINC000431321159 858563581 /nfs/dbraw/zinc/56/35/81/858563581.db2.gz BEPJDGOXJQWYOP-FZKQIMNGSA-N 0 0 408.445 4.461 20 30 HIEDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000431324909 858565041 /nfs/dbraw/zinc/56/50/41/858565041.db2.gz YMVCGNRESJBQHH-MRXNPFEDSA-N 0 0 423.460 4.422 20 30 HIEDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000431387991 858590449 /nfs/dbraw/zinc/59/04/49/858590449.db2.gz UBWXZTGYLVQIGN-VLIAUNLRSA-N 0 0 411.502 4.210 20 30 HIEDRN N#Cc1cccc(COc2ccc(Nc3ncnc4c3ncn4C3CC3)cc2F)c1 ZINC000431407982 858600168 /nfs/dbraw/zinc/60/01/68/858600168.db2.gz SRXRYHNRHBIHPO-UHFFFAOYSA-N 0 0 400.417 4.495 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCCOc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000431455501 858625939 /nfs/dbraw/zinc/62/59/39/858625939.db2.gz INBNUMJYWNFYOF-MRXNPFEDSA-N 0 0 406.408 4.214 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cccc(N(C)C)c2)cc1 ZINC000431557395 858668751 /nfs/dbraw/zinc/66/87/51/858668751.db2.gz MYDUSAHPWKYUIR-UHFFFAOYSA-N 0 0 406.530 4.231 20 30 HIEDRN COc1cc(Cl)c(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000431619483 858694371 /nfs/dbraw/zinc/69/43/71/858694371.db2.gz TWUAHZIHNYAKTE-INIZCTEOSA-N 0 0 408.907 4.071 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000431621514 858695291 /nfs/dbraw/zinc/69/52/91/858695291.db2.gz ZGZRPUCWVBNXCK-GOSISDBHSA-N 0 0 407.333 4.304 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccc1 ZINC000431622876 858695320 /nfs/dbraw/zinc/69/53/20/858695320.db2.gz QWWPACLUWYASKP-CQSZACIVSA-N 0 0 416.396 4.438 20 30 HIEDRN Cc1ccc(Br)c(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431628553 858699226 /nfs/dbraw/zinc/69/92/26/858699226.db2.gz RBIHAAMPNWVGMW-QGZVFWFLSA-N 0 0 407.333 4.471 20 30 HIEDRN Cc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Br ZINC000431629441 858699543 /nfs/dbraw/zinc/69/95/43/858699543.db2.gz WSUKMBGZWOMXCG-SFHVURJKSA-N 0 0 407.333 4.471 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437723630 863053829 /nfs/dbraw/zinc/05/38/29/863053829.db2.gz KVTWDCZFNLRSBV-QQMNAOGKSA-N 0 0 405.498 4.064 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431645595 858708970 /nfs/dbraw/zinc/70/89/70/858708970.db2.gz YMZKYLBMNRENTR-QGZVFWFLSA-N 0 0 406.486 4.128 20 30 HIEDRN CCN(c1ccccc1)c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431705198 858752296 /nfs/dbraw/zinc/75/22/96/858752296.db2.gz OSQLULCIFLTYHJ-UHFFFAOYSA-N 0 0 412.493 4.280 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2cnn(Cc3ccccc3)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431738840 858777381 /nfs/dbraw/zinc/77/73/81/858777381.db2.gz XJUNKFHUERGKRH-XXBNENTESA-N 0 0 414.509 4.054 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000431749965 858787139 /nfs/dbraw/zinc/78/71/39/858787139.db2.gz MTTZRVXRUZVGAS-IBGZPJMESA-N 0 0 404.470 4.473 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000431755587 858792288 /nfs/dbraw/zinc/79/22/88/858792288.db2.gz RACUXJFYESAHOK-UHFFFAOYSA-N 0 0 415.415 4.230 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(N2CCCC2)ccn1 ZINC000431779088 858807723 /nfs/dbraw/zinc/80/77/23/858807723.db2.gz QJDJVXOTNCKXOZ-UHFFFAOYSA-N 0 0 418.310 4.412 20 30 HIEDRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccc(C#N)o1 ZINC000431794056 858815254 /nfs/dbraw/zinc/81/52/54/858815254.db2.gz IVGAOFUNXWGSMK-UHFFFAOYSA-N 0 0 419.437 4.453 20 30 HIEDRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc1 ZINC000431832162 858832029 /nfs/dbraw/zinc/83/20/29/858832029.db2.gz FVMNQMSTYLGZAS-UHFFFAOYSA-N 0 0 405.479 4.228 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000431853876 858840910 /nfs/dbraw/zinc/84/09/10/858840910.db2.gz AMSOQTUEIDTDLX-NRFANRHFSA-N 0 0 422.488 4.235 20 30 HIEDRN Cc1nc(N2CCOCC2)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000431880126 858853148 /nfs/dbraw/zinc/85/31/48/858853148.db2.gz GPGAQLJUBIWXCW-UHFFFAOYSA-N 0 0 414.465 4.143 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCSC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000431887790 858857112 /nfs/dbraw/zinc/85/71/12/858857112.db2.gz RDLWUBZQVRKBJS-UHFFFAOYSA-N 0 0 404.479 4.017 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@](C)(OC)CC3)c2)c1 ZINC000431903488 858863402 /nfs/dbraw/zinc/86/34/02/858863402.db2.gz OVSAKHBKGQJSAC-RUZDIDTESA-N 0 0 420.509 4.296 20 30 HIEDRN C=CCN(Cc1ncccc1C(F)(F)F)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000431966422 858892393 /nfs/dbraw/zinc/89/23/93/858892393.db2.gz VAARHFVZSLBSOK-UHFFFAOYSA-N 0 0 424.366 4.496 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000431970209 858894802 /nfs/dbraw/zinc/89/48/02/858894802.db2.gz PEVUXKBEPQWQBE-IBGZPJMESA-N 0 0 409.898 4.426 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@]2(CCOC2)O1 ZINC000431972407 858895646 /nfs/dbraw/zinc/89/56/46/858895646.db2.gz WGNUDOGIAOYSCO-XXBNENTESA-N 0 0 407.470 4.152 20 30 HIEDRN N#CCCC[C@H](c1ccccc1)N1C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C1=O ZINC000432033045 858940434 /nfs/dbraw/zinc/94/04/34/858940434.db2.gz ODULLUMJCPZZAK-LEWJYISDSA-N 0 0 404.445 4.205 20 30 HIEDRN CN1C(=O)N([C@H](CCCC#N)c2ccccc2)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000432034085 858942196 /nfs/dbraw/zinc/94/21/96/858942196.db2.gz QYWGCEWDWNMWGV-MJGOQNOKSA-N 0 0 401.388 4.474 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@]2(CCOC2)O1 ZINC000432059820 858958439 /nfs/dbraw/zinc/95/84/39/858958439.db2.gz BQKREZIFOJUTPV-XXBNENTESA-N 0 0 407.470 4.152 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@]2(CCOC2)O1 ZINC000432068404 858964169 /nfs/dbraw/zinc/96/41/69/858964169.db2.gz VSTLERJFASDIED-HSZRJFAPSA-N 0 0 407.470 4.152 20 30 HIEDRN CCCC[C@@](C)(NC(=O)Nc1ccn(CCC#N)n1)c1cccc(Br)c1 ZINC000432128354 859006067 /nfs/dbraw/zinc/00/60/67/859006067.db2.gz DYWIBNUCWWVVTN-LJQANCHMSA-N 0 0 418.339 4.786 20 30 HIEDRN CC1(C)CN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432140851 859012603 /nfs/dbraw/zinc/01/26/03/859012603.db2.gz XYJWGRKVEGZBGK-MRXNPFEDSA-N 0 0 406.364 4.237 20 30 HIEDRN CCCc1c(NC(=O)[C@@H]2CCc3ccc(OC)cc32)cnn1-c1cccc(C#N)c1 ZINC000432143622 859013774 /nfs/dbraw/zinc/01/37/74/859013774.db2.gz PUCGBUSTIUDREV-HXUWFJFHSA-N 0 0 400.482 4.374 20 30 HIEDRN CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432152166 859018007 /nfs/dbraw/zinc/01/80/07/859018007.db2.gz IQLMXLTVEKEBGW-KRWDZBQOSA-N 0 0 420.391 4.424 20 30 HIEDRN COC(=O)C(C)(C)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000432164797 859025390 /nfs/dbraw/zinc/02/53/90/859025390.db2.gz TWBFGYNJXSCGLP-UHFFFAOYSA-N 0 0 421.497 4.084 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432201422 859044027 /nfs/dbraw/zinc/04/40/27/859044027.db2.gz DWYSOXNNFARTRD-UHFFFAOYSA-N 0 0 420.473 4.052 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1C(F)(F)F ZINC000432211378 859048936 /nfs/dbraw/zinc/04/89/36/859048936.db2.gz AIQNLKYGQNXCHB-PKOBYXMFSA-N 0 0 411.387 4.440 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432270269 859077021 /nfs/dbraw/zinc/07/70/21/859077021.db2.gz UUCAABAZCXDXCJ-CQSZACIVSA-N 0 0 402.825 4.226 20 30 HIEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c(F)c1 ZINC000432299431 859090982 /nfs/dbraw/zinc/09/09/82/859090982.db2.gz PRFLYLWTWVJAOU-GFCCVEGCSA-N 0 0 402.344 4.081 20 30 HIEDRN CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432300625 859092546 /nfs/dbraw/zinc/09/25/46/859092546.db2.gz JSGRTGUACMIRPL-SFHVURJKSA-N 0 0 424.444 4.118 20 30 HIEDRN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432336582 859107791 /nfs/dbraw/zinc/10/77/91/859107791.db2.gz QQMARWLTNVFWDO-QRQCRPRQSA-N 0 0 413.905 4.213 20 30 HIEDRN CC(C)C1CCC(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 ZINC000432338154 859109199 /nfs/dbraw/zinc/10/91/99/859109199.db2.gz UYIXEVFBWSSPCP-UHFFFAOYSA-N 0 0 420.513 4.263 20 30 HIEDRN CN(Cc1cc(Br)cn1C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000467566624 881389522 /nfs/dbraw/zinc/38/95/22/881389522.db2.gz KFAYLLUKHKPTBC-UHFFFAOYSA-N 0 0 415.213 4.342 20 30 HIEDRN N#CCC1(CNC(=O)Nc2nc(Cc3ccccc3Br)cs2)CC1 ZINC000432445667 859167397 /nfs/dbraw/zinc/16/73/97/859167397.db2.gz WSYCNTIWDXVQIK-UHFFFAOYSA-N 0 0 405.321 4.312 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CSCc1ncc(Br)s1 ZINC000432500130 859195292 /nfs/dbraw/zinc/19/52/92/859195292.db2.gz GTMBABTYAYVIBO-UHFFFAOYSA-N 0 0 402.726 4.303 20 30 HIEDRN CCc1cccc2c(CCNC(=O)CCCC(=O)Nc3ccccc3C#N)c[nH]c21 ZINC000432498689 859195543 /nfs/dbraw/zinc/19/55/43/859195543.db2.gz ATDQJKMOYMJQFH-UHFFFAOYSA-N 0 0 402.498 4.070 20 30 HIEDRN N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(-c2ccncc2)n1 ZINC000432508915 859200352 /nfs/dbraw/zinc/20/03/52/859200352.db2.gz HEAIDKLVBWSNRQ-HSZRJFAPSA-N 0 0 424.464 4.218 20 30 HIEDRN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000432511033 859201805 /nfs/dbraw/zinc/20/18/05/859201805.db2.gz GCLFEUBSFGEWFN-HXUWFJFHSA-N 0 0 406.877 4.099 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c(Cl)c1 ZINC000432526508 859209703 /nfs/dbraw/zinc/20/97/03/859209703.db2.gz LTTBHDXPZSUURW-UHFFFAOYSA-N 0 0 405.820 4.465 20 30 HIEDRN N#Cc1cn(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c2ccccc2c1=O ZINC000432529205 859211964 /nfs/dbraw/zinc/21/19/64/859211964.db2.gz XGJRHXPNSVKVTI-UHFFFAOYSA-N 0 0 410.458 4.299 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCc1ncc(Br)s1 ZINC000432544576 859218779 /nfs/dbraw/zinc/21/87/79/859218779.db2.gz DNHRDOZVZJTOMS-UHFFFAOYSA-N 0 0 400.348 4.155 20 30 HIEDRN COc1ccc(-n2c(Cn3cc(C#N)c(=O)c4ccccc43)nc3ccccc32)cc1 ZINC000432552647 859222702 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HIEDRN Cc1nc([C@](C)(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C2CC2)no1 ZINC000432768356 859349519 /nfs/dbraw/zinc/34/95/19/859349519.db2.gz KSZQRBFWPCIBNJ-JOCHJYFZSA-N 0 0 403.442 4.489 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 ZINC000432768800 859349551 /nfs/dbraw/zinc/34/95/51/859349551.db2.gz MUZXPHTUFWUXGJ-OAQYLSRUSA-N 0 0 422.554 4.432 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000432771620 859351853 /nfs/dbraw/zinc/35/18/53/859351853.db2.gz YAYPYSJLQNDHIR-MRXNPFEDSA-N 0 0 408.502 4.333 20 30 HIEDRN Cc1c(F)c(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(F)cc1Cl ZINC000432775079 859354210 /nfs/dbraw/zinc/35/42/10/859354210.db2.gz SCCOGLYHTUQTLX-UHFFFAOYSA-N 0 0 421.650 4.362 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1Br ZINC000432774570 859354859 /nfs/dbraw/zinc/35/48/59/859354859.db2.gz COEDILZSGUDRTR-UHFFFAOYSA-N 0 0 418.272 4.140 20 30 HIEDRN C[C@H](c1ccccc1)[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(N)=O ZINC000432793340 859363553 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CCOC1(C)CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000432913184 859426918 /nfs/dbraw/zinc/42/69/18/859426918.db2.gz DJNFQPCBHXMYMO-UHFFFAOYSA-N 0 0 406.486 4.233 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C2)nc1 ZINC000432956269 859447396 /nfs/dbraw/zinc/44/73/96/859447396.db2.gz RMWDGDFJDUEFKT-SFHVURJKSA-N 0 0 410.449 4.099 20 30 HIEDRN CCNC(=O)N1CCc2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cc21 ZINC000432966031 859453309 /nfs/dbraw/zinc/45/33/09/859453309.db2.gz QTZNFHOCRXKZSE-FQEVSTJZSA-N 0 0 405.502 4.335 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Br)cn32)cn1 ZINC000432973299 859457584 /nfs/dbraw/zinc/45/75/84/859457584.db2.gz QLGOLZNUANGPPI-UHFFFAOYSA-N 0 0 418.254 4.283 20 30 HIEDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCCN(CC(F)F)CC1 ZINC000432974046 859457651 /nfs/dbraw/zinc/45/76/51/859457651.db2.gz SYCLIUCEIUIDRN-UHFFFAOYSA-N 0 0 417.325 4.112 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000432992182 859467061 /nfs/dbraw/zinc/46/70/61/859467061.db2.gz IXIUTTNBNPEVMJ-HNNXBMFYSA-N 0 0 412.465 4.164 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Br)cc1O ZINC000433009127 859475023 /nfs/dbraw/zinc/47/50/23/859475023.db2.gz GIVWWPDRPHFCEA-UHFFFAOYSA-N 0 0 401.304 4.254 20 30 HIEDRN COc1ccc(NC(=O)c2nnc(CN[C@@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433028974 859488311 /nfs/dbraw/zinc/48/83/11/859488311.db2.gz QSQOPTMMCXAXKM-IBGZPJMESA-N 0 0 421.526 4.324 20 30 HIEDRN Cc1nn(C)c(=O)c(-c2nc(CN[C@H](CCCC#N)c3ccccc3)cs2)c1C ZINC000433035978 859493060 /nfs/dbraw/zinc/49/30/60/859493060.db2.gz PPNSEFIUNHCELJ-LJQANCHMSA-N 0 0 407.543 4.045 20 30 HIEDRN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc(Br)c1F ZINC000433107428 859523659 /nfs/dbraw/zinc/52/36/59/859523659.db2.gz WFEBBUHVXZWUOH-SNVBAGLBSA-N 0 0 420.238 4.129 20 30 HIEDRN C[C@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(N)=O ZINC000433128792 859532201 /nfs/dbraw/zinc/53/22/01/859532201.db2.gz XTUSPLZSYKYBRA-OPAMFIHVSA-N 0 0 414.465 4.130 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C2)nc1 ZINC000433127198 859532277 /nfs/dbraw/zinc/53/22/77/859532277.db2.gz GSNLHVUADGDCNB-ZDUSSCGKSA-N 0 0 410.783 4.311 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccccc1 ZINC000433155544 859543603 /nfs/dbraw/zinc/54/36/03/859543603.db2.gz FMFLKIRKJMMXLU-GOSISDBHSA-N 0 0 409.490 4.825 20 30 HIEDRN Cc1ccc(Cc2nnc(NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433172927 859553146 /nfs/dbraw/zinc/55/31/46/859553146.db2.gz DTQICNQGHKKMLO-LJQANCHMSA-N 0 0 405.527 4.994 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000433220543 859574644 /nfs/dbraw/zinc/57/46/44/859574644.db2.gz PSZKMIWOWJFCMX-GOSISDBHSA-N 0 0 402.454 4.312 20 30 HIEDRN C=CCNc1ncc(C(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)s1 ZINC000433220479 859575148 /nfs/dbraw/zinc/57/51/48/859575148.db2.gz MUYUOPOKXWWNOR-LBPRGKRZSA-N 0 0 414.556 4.673 20 30 HIEDRN CN(CC(C)(C)C#N)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000433256333 859595279 /nfs/dbraw/zinc/59/52/79/859595279.db2.gz AQJOZOODXWBHLO-UHFFFAOYSA-N 0 0 404.268 4.045 20 30 HIEDRN Cc1nc(N2CCOCC2)ccc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000433267286 859603915 /nfs/dbraw/zinc/60/39/15/859603915.db2.gz DMCNEKVFHUYGKM-UHFFFAOYSA-N 0 0 413.481 4.094 20 30 HIEDRN Cc1cc(F)cc2c(O)c(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cnc12 ZINC000433345384 859657259 /nfs/dbraw/zinc/65/72/59/859657259.db2.gz XRHKMOSCHWWUSP-HNNXBMFYSA-N 0 0 404.228 4.277 20 30 HIEDRN CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cccc(OCCCC#N)c1 ZINC000433378267 859666119 /nfs/dbraw/zinc/66/61/19/859666119.db2.gz YWTBFAJQBMVBET-SFHVURJKSA-N 0 0 400.276 4.328 20 30 HIEDRN C=CC[C@@H](CO)NC(=O)C/C(=C/c1cccc(OC)c1)c1nc2ccccc2s1 ZINC000467662332 881456029 /nfs/dbraw/zinc/45/60/29/881456029.db2.gz QWTXQNGFSABWSX-FSEPTYSPSA-N 0 0 408.523 4.289 20 30 HIEDRN O=c1c2cc(Br)ccc2ncn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000433397889 859677303 /nfs/dbraw/zinc/67/73/03/859677303.db2.gz CHGQIZSYMXMFMA-UHFFFAOYSA-N 0 0 423.188 4.109 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)CC[C@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000433416485 859688557 /nfs/dbraw/zinc/68/85/57/859688557.db2.gz BYEHMLOVANQJKF-IBGZPJMESA-N 0 0 423.509 4.373 20 30 HIEDRN OCC1CCN(c2ccccc2NCC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000433481952 859723973 /nfs/dbraw/zinc/72/39/73/859723973.db2.gz XIIMDSKJCLIEAJ-UHFFFAOYSA-N 0 0 404.432 4.258 20 30 HIEDRN CCCN(C(=O)c1ccccc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000433496652 859735407 /nfs/dbraw/zinc/73/54/07/859735407.db2.gz LPPYHLIQVKVBLC-QFIPXVFZSA-N 0 0 404.514 4.036 20 30 HIEDRN CCCN(C(=O)c1ccccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000433496651 859735628 /nfs/dbraw/zinc/73/56/28/859735628.db2.gz LPPYHLIQVKVBLC-JOCHJYFZSA-N 0 0 404.514 4.036 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(F)c1 ZINC000433521630 859752529 /nfs/dbraw/zinc/75/25/29/859752529.db2.gz VJMWWKBIKZFFJW-HXUWFJFHSA-N 0 0 407.832 4.195 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)c(F)c1 ZINC000433524237 859755241 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4.070 20 30 HIEDRN C[C@H](NC(=O)c1ccccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000433717547 859850921 /nfs/dbraw/zinc/85/09/21/859850921.db2.gz IQQBHUFEDYHRJV-MHECFPHRSA-N 0 0 424.504 4.267 20 30 HIEDRN C[C@@H](NC(=O)c1ccccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000433717542 859851088 /nfs/dbraw/zinc/85/10/88/859851088.db2.gz IQQBHUFEDYHRJV-HOYKHHGWSA-N 0 0 424.504 4.267 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)C2=O)cc1 ZINC000433720801 859853245 /nfs/dbraw/zinc/85/32/45/859853245.db2.gz FASPMAWBBFDJCM-NRFANRHFSA-N 0 0 422.916 4.055 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](Nc3ccc(C(=O)N4CCCCC4)c(Cl)c3)C2=O)cc1 ZINC000433720802 859853308 /nfs/dbraw/zinc/85/33/08/859853308.db2.gz FASPMAWBBFDJCM-OAQYLSRUSA-N 0 0 422.916 4.055 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](Nc3cc(C(F)(F)F)ccc3N3CCCC3)C2=O)cc1 ZINC000433749868 859873805 /nfs/dbraw/zinc/87/38/05/859873805.db2.gz XIVNCQIEZKUIFO-GOSISDBHSA-N 0 0 414.431 4.395 20 30 HIEDRN 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HIEDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)CSCc1ccc(C#N)cc1 ZINC000435408751 860789289 /nfs/dbraw/zinc/78/92/89/860789289.db2.gz XVEYBSKUAGBUDF-HXUWFJFHSA-N 0 0 403.935 4.204 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1nccn1CCc1ccccc1 ZINC000435416488 860792708 /nfs/dbraw/zinc/79/27/08/860792708.db2.gz OKSXOLGFKZCKQD-UHFFFAOYSA-N 0 0 415.541 4.365 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435435402 860797804 /nfs/dbraw/zinc/79/78/04/860797804.db2.gz AZMCWNIYFSHQNM-IBGZPJMESA-N 0 0 419.478 4.093 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)cc1C#N ZINC000435487789 860817883 /nfs/dbraw/zinc/81/78/83/860817883.db2.gz VRQDFFWGQOOMLB-UGKGYDQZSA-N 0 0 419.525 4.202 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1C#N ZINC000435489308 860818724 /nfs/dbraw/zinc/81/87/24/860818724.db2.gz JUCDKYATYRAKSY-FOIQADDNSA-N 0 0 421.497 4.192 20 30 HIEDRN CCc1ccc(CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C2CC2)cc1 ZINC000435489430 860818831 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CCCCOc1ccc(-c2nnc(CN3CCC[C@@]4(CCCCO4)[C@H]3C#N)o2)cc1 ZINC000447924521 871816075 /nfs/dbraw/zinc/81/60/75/871816075.db2.gz WFZINMVNYFZVBT-OFNKIYASSA-N 0 0 410.518 4.343 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NCc3cn4cc(Cl)ccc4n3)s2)cc1 ZINC000447947623 871819849 /nfs/dbraw/zinc/81/98/49/871819849.db2.gz GKQMUPMBTSLOJC-UHFFFAOYSA-N 0 0 412.931 4.615 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NCc3cnc([C@H]4CCCO4)s3)s2)cc1 ZINC000447947578 871820128 /nfs/dbraw/zinc/82/01/28/871820128.db2.gz FYMKVXPIFVTYBJ-OAHLLOKOSA-N 0 0 415.569 4.622 20 30 HIEDRN Cc1ccc(NC(=O)CSc2nnc(NCc3ccc(C#N)c(C)c3)s2)c(C)c1 ZINC000447954776 871823055 /nfs/dbraw/zinc/82/30/55/871823055.db2.gz XTVBBLYENPHJTB-UHFFFAOYSA-N 0 0 423.567 4.678 20 30 HIEDRN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000447980181 871833771 /nfs/dbraw/zinc/83/37/71/871833771.db2.gz WQKXWZVNHLHKIL-KRWDZBQOSA-N 0 0 401.514 4.429 20 30 HIEDRN COc1ccc(CNc2cc(Br)cc(C(=O)N3CCCC3)c2)cc1C#N ZINC000447988840 871837964 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C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000460380181 873021773 /nfs/dbraw/zinc/02/17/73/873021773.db2.gz LWGCQSFSPXLRSN-HIFRSBDPSA-N 0 0 410.440 4.316 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000460382503 873022834 /nfs/dbraw/zinc/02/28/34/873022834.db2.gz FYLPRBUFCAGLIT-OAQYLSRUSA-N 0 0 406.534 4.125 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCC[C@@H](SC)C1 ZINC000460382968 873024959 /nfs/dbraw/zinc/02/49/59/873024959.db2.gz VSNHZCNATPBHJL-LJQANCHMSA-N 0 0 402.564 4.164 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC000460382639 873025071 /nfs/dbraw/zinc/02/50/71/873025071.db2.gz CFCHNYBUJPDQMQ-YLJYHZDGSA-N 0 0 418.545 4.020 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H]1CSC ZINC000460385395 873027966 /nfs/dbraw/zinc/02/79/66/873027966.db2.gz ZVKIRWZVFYSEBS-QGZVFWFLSA-N 0 0 402.564 4.260 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC=C(COC)CC1 ZINC000460385654 873029515 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20 30 HIEDRN C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460392805 873041468 /nfs/dbraw/zinc/04/14/68/873041468.db2.gz GXLWQJUBILDLHY-IBGZPJMESA-N 0 0 407.518 4.218 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCCC[C@@H]1CC(C)C ZINC000460394887 873044568 /nfs/dbraw/zinc/04/45/68/873044568.db2.gz PVGFIHGGDGPHSO-LJQANCHMSA-N 0 0 416.591 4.330 20 30 HIEDRN Cc1ccc2nc(-c3ccc(NC(=O)Cn4ccc(C)c(C#N)c4=O)cc3)sc2c1 ZINC000460445005 873114236 /nfs/dbraw/zinc/11/42/36/873114236.db2.gz GFICQUBOTKFXTA-UHFFFAOYSA-N 0 0 414.490 4.252 20 30 HIEDRN N#CCCN(C(=O)Cc1csc(-c2ccccn2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000460451357 873125152 /nfs/dbraw/zinc/12/51/52/873125152.db2.gz QJJPTFQBOFPCSP-UHFFFAOYSA-N 0 0 406.555 4.459 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCc1ccccc1 ZINC000460454036 873130666 /nfs/dbraw/zinc/13/06/66/873130666.db2.gz KMQQHIDWUFPEPC-UHFFFAOYSA-N 0 0 404.543 4.175 20 30 HIEDRN N#CCCN(C(=O)CCc1nnc(-c2ccsc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000460468595 873153167 /nfs/dbraw/zinc/15/31/67/873153167.db2.gz JRKCFYYHPSXDKO-UHFFFAOYSA-N 0 0 410.543 4.442 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000460491434 873177119 /nfs/dbraw/zinc/17/71/19/873177119.db2.gz HJUPLQGOBFHRNG-UHFFFAOYSA-N 0 0 405.385 4.370 20 30 HIEDRN C[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Oc1cccc(F)c1 ZINC000460497657 873184012 /nfs/dbraw/zinc/18/40/12/873184012.db2.gz CVBBFOFEHGDTAO-KRWDZBQOSA-N 0 0 404.441 4.474 20 30 HIEDRN C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Oc1cccc(F)c1 ZINC000460506233 873193372 /nfs/dbraw/zinc/19/33/72/873193372.db2.gz CADWDPVIZOYTIF-QGZVFWFLSA-N 0 0 404.441 4.474 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460512778 873199707 /nfs/dbraw/zinc/19/97/07/873199707.db2.gz XVCDOPMPEWPGRB-UHFFFAOYSA-N 0 0 417.431 4.423 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000460549131 873256624 /nfs/dbraw/zinc/25/66/24/873256624.db2.gz FCXMKSOSGQTYPJ-MGPUTAFESA-N 0 0 424.442 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C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000460554914 873270607 /nfs/dbraw/zinc/27/06/07/873270607.db2.gz OTNFEKSQEGEFHV-KRWDZBQOSA-N 0 0 423.952 4.485 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000460555010 873271092 /nfs/dbraw/zinc/27/10/92/873271092.db2.gz DZIYZZQHOLJJEV-GOSISDBHSA-N 0 0 420.561 4.112 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CCCC)Cc1ccccc1Cl ZINC000460554791 873271145 /nfs/dbraw/zinc/27/11/45/873271145.db2.gz RVILHIADWNRMOZ-LJQANCHMSA-N 0 0 404.942 4.402 20 30 HIEDRN C=C(C)Cn1c(Nc2c(C)nn(C)c2C)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC000460556046 873272471 /nfs/dbraw/zinc/27/24/71/873272471.db2.gz HGIOYOXPUGBUOD-HNNXBMFYSA-N 0 0 400.914 4.742 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2cc(F)ccc2C1 ZINC000460555236 873273120 /nfs/dbraw/zinc/27/31/20/873273120.db2.gz SPNQHCRGHZIAIE-UHFFFAOYSA-N 0 0 403.461 4.007 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000460558013 873280662 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20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460955185 873852469 /nfs/dbraw/zinc/85/24/69/873852469.db2.gz DIALEJIIEIMYKM-FQEVSTJZSA-N 0 0 405.502 4.275 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CC(C)(C)C ZINC000460956259 873853386 /nfs/dbraw/zinc/85/33/86/873853386.db2.gz ARDCMYSSUQQPNM-INIZCTEOSA-N 0 0 401.580 4.251 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@H](COC)C1 ZINC000460957290 873854466 /nfs/dbraw/zinc/85/44/66/873854466.db2.gz DZIWDDNNLSQSHH-KRWDZBQOSA-N 0 0 404.942 4.340 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000460962044 873858126 /nfs/dbraw/zinc/85/81/26/873858126.db2.gz XOQHLHNBBDBGRP-GOEBONIOSA-N 0 0 417.351 4.072 20 30 HIEDRN C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC[C@H](C)C1 ZINC000460963637 873860271 /nfs/dbraw/zinc/86/02/71/873860271.db2.gz ZGELYHSMKMJRLA-QGZVFWFLSA-N 0 0 418.969 4.300 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCO[C@@H](C)[C@H]1C ZINC000460963181 873860740 /nfs/dbraw/zinc/86/07/40/873860740.db2.gz XPUFVGOTTBQGNY-MSOLQXFVSA-N 0 0 408.502 4.307 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000460964504 873861813 /nfs/dbraw/zinc/86/18/13/873861813.db2.gz PBOFBLJFWXRIFC-UHFFFAOYSA-N 0 0 404.651 4.148 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCc2ccc(F)cc2C1 ZINC000460964995 873861880 /nfs/dbraw/zinc/86/18/80/873861880.db2.gz WTTHXDLHGGDKLQ-UHFFFAOYSA-N 0 0 408.477 4.240 20 30 HIEDRN C[C@@]1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)OCCc2sccc21 ZINC000460965649 873862701 /nfs/dbraw/zinc/86/27/01/873862701.db2.gz TUESQGDBCYYHTJ-DEOSSOPVSA-N 0 0 418.518 4.417 20 30 HIEDRN CC1CCN(c2nnc(SCc3ccc(F)c(C#N)c3)n2Cc2ccco2)CC1 ZINC000468635706 882767916 /nfs/dbraw/zinc/76/79/16/882767916.db2.gz SHHDVUZEXDNHQE-UHFFFAOYSA-N 0 0 411.506 4.459 20 30 HIEDRN CN(C(=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1)c1ccccc1 ZINC000468635917 882768026 /nfs/dbraw/zinc/76/80/26/882768026.db2.gz VCIPZBUCLJBTSI-WIOPSUGQSA-N 0 0 417.509 4.031 20 30 HIEDRN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccccc2C#Cc2ccccc2)c1 ZINC000461002024 873880159 /nfs/dbraw/zinc/88/01/59/873880159.db2.gz QBERIFAEQCZFOK-UHFFFAOYSA-N 0 0 403.503 4.061 20 30 HIEDRN Cc1cc(Br)ccc1SCC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000468638043 882773438 /nfs/dbraw/zinc/77/34/38/882773438.db2.gz KUMILEMCVJGJRO-PKOBYXMFSA-N 0 0 423.376 4.304 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@@H]2CCCO2)c1 ZINC000461047888 873917367 /nfs/dbraw/zinc/91/73/67/873917367.db2.gz QVZCPNHZXKQELJ-NRFANRHFSA-N 0 0 419.916 4.212 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCCO1 ZINC000461064645 873946900 /nfs/dbraw/zinc/94/69/00/873946900.db2.gz XHKGAWFWQJWYIC-NQIIRXRSSA-N 0 0 422.554 4.387 20 30 HIEDRN N#Cc1cc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)ccc1F ZINC000468644225 882777038 /nfs/dbraw/zinc/77/70/38/882777038.db2.gz YZGQOCMHWCMQLF-HNNXBMFYSA-N 0 0 400.504 4.489 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)c2)c1 ZINC000468644765 882780120 /nfs/dbraw/zinc/78/01/20/882780120.db2.gz GNJAERUOEDNJHZ-NOZRDPDXSA-N 0 0 415.493 4.205 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ncoc3-c3ccccc3Cl)C2)c(F)c1 ZINC000461098299 874016917 /nfs/dbraw/zinc/01/69/17/874016917.db2.gz NQVHCTDGSUWTNX-OAHLLOKOSA-N 0 0 424.863 4.405 20 30 HIEDRN CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000461100556 874019162 /nfs/dbraw/zinc/01/91/62/874019162.db2.gz XMDOJMJNOPFJKC-SFHVURJKSA-N 0 0 413.930 4.249 20 30 HIEDRN N#C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccc(C(F)(F)F)c1 ZINC000461119468 874045446 /nfs/dbraw/zinc/04/54/46/874045446.db2.gz YFRQYYJLFXVRKR-JTQLQIEISA-N 0 0 414.352 4.329 20 30 HIEDRN Cc1cccc(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)c1C ZINC000461122784 874051317 /nfs/dbraw/zinc/05/13/17/874051317.db2.gz CXALPCMSODPKQR-OAQYLSRUSA-N 0 0 417.513 4.293 20 30 HIEDRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461122706 874052412 /nfs/dbraw/zinc/05/24/12/874052412.db2.gz JDTRVNBBOXCZTH-VQIMIIECSA-N 0 0 405.477 4.332 20 30 HIEDRN CCCN(Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461123393 874053086 /nfs/dbraw/zinc/05/30/86/874053086.db2.gz FDHGKJHBDDKCQA-JOCHJYFZSA-N 0 0 401.514 4.412 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461128126 874059707 /nfs/dbraw/zinc/05/97/07/874059707.db2.gz OYCZPZWWIQEZBX-JLSDUUJJSA-N 0 0 419.451 4.163 20 30 HIEDRN COc1ccc([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)cc1 ZINC000461130739 874065830 /nfs/dbraw/zinc/06/58/30/874065830.db2.gz KILPIRBRWLFXIQ-VGSWGCGISA-N 0 0 417.513 4.202 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1 ZINC000468654963 882791484 /nfs/dbraw/zinc/79/14/84/882791484.db2.gz FAMHWXISDGTBSR-UKILVPOCSA-N 0 0 415.493 4.205 20 30 HIEDRN CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1 ZINC000468659107 882793501 /nfs/dbraw/zinc/79/35/01/882793501.db2.gz NCXZGANLMCBRPM-UPVQGACJSA-N 0 0 412.530 4.282 20 30 HIEDRN CCc1c(C)nn(-c2cccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c2)c1C ZINC000468658083 882794034 /nfs/dbraw/zinc/79/40/34/882794034.db2.gz FNWMYTPQEYWOML-UPVQGACJSA-N 0 0 406.530 4.119 20 30 HIEDRN C=CCN(CCOC)c1nnc(-c2cc(Cl)ccc2Cl)n1C[C@H]1CCCO1 ZINC000461157878 874113507 /nfs/dbraw/zinc/11/35/07/874113507.db2.gz YPMMHMIVFXQRBW-OAHLLOKOSA-N 0 0 411.333 4.070 20 30 HIEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000468661161 882796100 /nfs/dbraw/zinc/79/61/00/882796100.db2.gz PAOGQMOPUMXZFS-LAUBAEHRSA-N 0 0 417.481 4.464 20 30 HIEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1)C1CCCC1 ZINC000461165769 874128824 /nfs/dbraw/zinc/12/88/24/874128824.db2.gz SHHOLOMFPNLQPW-QFIPXVFZSA-N 0 0 423.561 4.313 20 30 HIEDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468663224 882797980 /nfs/dbraw/zinc/79/79/80/882797980.db2.gz WHGPJVHUYDSBIG-XUZZJYLKSA-N 0 0 411.546 4.016 20 30 HIEDRN C[C@@H]1[C@H](c2ccccc2)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461177120 874153891 /nfs/dbraw/zinc/15/38/91/874153891.db2.gz ARQFRVZGUABUHF-YFXJRYMSSA-N 0 0 413.525 4.378 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCO1 ZINC000461177713 874156819 /nfs/dbraw/zinc/15/68/19/874156819.db2.gz CJNXNEHHJPNUQZ-HXUWFJFHSA-N 0 0 418.545 4.438 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461178185 874158540 /nfs/dbraw/zinc/15/85/40/874158540.db2.gz HZFCNVKYXYZZTL-OAQYLSRUSA-N 0 0 417.488 4.327 20 30 HIEDRN Cc1cc(C)c2c(c1)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCCO1)CC2 ZINC000461179774 874163631 /nfs/dbraw/zinc/16/36/31/874163631.db2.gz KBDPBZWMRLESFN-JOCHJYFZSA-N 0 0 413.525 4.175 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461203995 874206751 /nfs/dbraw/zinc/20/67/51/874206751.db2.gz XTNHJWMEYBPEHX-FQEVSTJZSA-N 0 0 405.542 4.423 20 30 HIEDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000461215068 874217548 /nfs/dbraw/zinc/21/75/48/874217548.db2.gz BAXWVQINPWQCDN-UHFFFAOYSA-N 0 0 404.348 4.043 20 30 HIEDRN Cc1ccccc1[C@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000461244579 874246544 /nfs/dbraw/zinc/24/65/44/874246544.db2.gz HVRPGEGNSGUOQV-NZQKXSOJSA-N 0 0 419.525 4.011 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1 ZINC000461244581 874247305 /nfs/dbraw/zinc/24/73/05/874247305.db2.gz HVRPGEGNSGUOQV-OFNKIYASSA-N 0 0 419.525 4.011 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCCO2)c1 ZINC000461255758 874261199 /nfs/dbraw/zinc/26/11/99/874261199.db2.gz KOJHRRGUQZFIGQ-SFHVURJKSA-N 0 0 419.451 4.165 20 30 HIEDRN CCC(CC)(CNC(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)c(OC)c1 ZINC000461285249 874292289 /nfs/dbraw/zinc/29/22/89/874292289.db2.gz SGYAOGVUBGNAAB-UHFFFAOYSA-N 0 0 402.441 4.341 20 30 HIEDRN CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461293537 874299693 /nfs/dbraw/zinc/29/96/93/874299693.db2.gz RUZKJJCLLWJVAM-OAHLLOKOSA-N 0 0 424.302 4.109 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cn1 ZINC000461295894 874301356 /nfs/dbraw/zinc/30/13/56/874301356.db2.gz PHMMKUNYQABWND-UHFFFAOYSA-N 0 0 401.401 4.109 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000461297671 874302660 /nfs/dbraw/zinc/30/26/60/874302660.db2.gz VHLAGNRPUKEPRE-UHFFFAOYSA-N 0 0 400.269 4.326 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)cn1 ZINC000461319520 874327651 /nfs/dbraw/zinc/32/76/51/874327651.db2.gz VWQNZSAZEZRPLM-LWYUSKRHSA-N 0 0 415.419 4.226 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000461318682 874327695 /nfs/dbraw/zinc/32/76/95/874327695.db2.gz NMUFNTCFTZIEHX-UHFFFAOYSA-N 0 0 406.858 4.168 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2noc(COC(C)C)n2)cc1 ZINC000461378066 874382724 /nfs/dbraw/zinc/38/27/24/874382724.db2.gz WWARJXWAKSWCMF-INIZCTEOSA-N 0 0 420.469 4.458 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc(-c4ccccc4)n3C[C@H]3CCOC3)CC2)cc1 ZINC000461377955 874383105 /nfs/dbraw/zinc/38/31/05/874383105.db2.gz PKNWRTITSCNLEY-HXUWFJFHSA-N 0 0 411.509 4.147 20 30 HIEDRN CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)no1 ZINC000461379968 874385503 /nfs/dbraw/zinc/38/55/03/874385503.db2.gz MHLMMEGVWCRTBL-INIZCTEOSA-N 0 0 420.469 4.344 20 30 HIEDRN COc1ccc(OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(Br)c1 ZINC000461407836 874422319 /nfs/dbraw/zinc/42/23/19/874422319.db2.gz QSVRPFOAVQDGLF-UHFFFAOYSA-N 0 0 423.694 4.437 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc([C@@H](C)OC)no2)cc1 ZINC000468725362 882830282 /nfs/dbraw/zinc/83/02/82/882830282.db2.gz PPPLYVGYGYAHFB-CQSZACIVSA-N 0 0 422.441 4.021 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000461427259 874462739 /nfs/dbraw/zinc/46/27/39/874462739.db2.gz PXNGZJXYWNPOTC-IAQYHMDHSA-N 0 0 406.364 4.364 20 30 HIEDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000468725201 882830346 /nfs/dbraw/zinc/83/03/46/882830346.db2.gz NPWARMGJCQRHEY-UHFFFAOYSA-N 0 0 410.407 4.455 20 30 HIEDRN N#Cc1ccc(NCC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 ZINC000468731997 882833352 /nfs/dbraw/zinc/83/33/52/882833352.db2.gz DXCNCPZEBPVOCY-SFHVURJKSA-N 0 0 402.523 4.016 20 30 HIEDRN COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000461487004 874549499 /nfs/dbraw/zinc/54/94/99/874549499.db2.gz GOXKAPVXKRIFMT-GOSISDBHSA-N 0 0 407.543 4.179 20 30 HIEDRN C[C@@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000461494572 874564064 /nfs/dbraw/zinc/56/40/64/874564064.db2.gz VSIPYGIGNSNBGF-SJORKVTESA-N 0 0 407.543 4.463 20 30 HIEDRN COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000461498323 874569641 /nfs/dbraw/zinc/56/96/41/874569641.db2.gz RSORFXOLDJKUFF-GOSISDBHSA-N 0 0 407.543 4.179 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(C(F)(F)Oc2ccccc2)n1Cc1cccs1 ZINC000461506218 874581954 /nfs/dbraw/zinc/58/19/54/874581954.db2.gz IFQDETJMEHANFW-CQSZACIVSA-N 0 0 403.458 4.255 20 30 HIEDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000461524262 874607845 /nfs/dbraw/zinc/60/78/45/874607845.db2.gz QGHOWCQJAZHMEH-HDICACEKSA-N 0 0 405.498 4.003 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2ccccc2Br)n1C[C@H]1CCOC1 ZINC000461528254 874612623 /nfs/dbraw/zinc/61/26/23/874612623.db2.gz IQOAQQVQPZPKHD-OAHLLOKOSA-N 0 0 405.340 4.147 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1CCOC1)C1CC1 ZINC000461545374 874632834 /nfs/dbraw/zinc/63/28/34/874632834.db2.gz AMAQYDCXXBXWIB-SFHVURJKSA-N 0 0 420.513 4.308 20 30 HIEDRN CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C#N)cc1 ZINC000461549270 874635940 /nfs/dbraw/zinc/63/59/40/874635940.db2.gz QMAYKFQBBPEEAA-UHFFFAOYSA-N 0 0 419.506 4.050 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC2)C2CC2)cc1 ZINC000461551587 874637298 /nfs/dbraw/zinc/63/72/98/874637298.db2.gz OKXYWIKPVZOGQZ-LJQANCHMSA-N 0 0 417.488 4.161 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccc2C)n1C[C@@H]1CCOC1 ZINC000461563451 874659304 /nfs/dbraw/zinc/65/93/04/874659304.db2.gz PDLTYCXXGKKXCJ-QFIPXVFZSA-N 0 0 413.525 4.354 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCc4c3cccc4Br)on2)c1 ZINC000468783075 882857797 /nfs/dbraw/zinc/85/77/97/882857797.db2.gz BHHJHHULUBZVIO-QGZVFWFLSA-N 0 0 408.255 4.393 20 30 HIEDRN Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2C[C@H]2CCOC2)o1 ZINC000461582530 874691783 /nfs/dbraw/zinc/69/17/83/874691783.db2.gz DICWGCZXZDZXKH-LJQANCHMSA-N 0 0 415.497 4.048 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC1 ZINC000461586536 874699160 /nfs/dbraw/zinc/69/91/60/874699160.db2.gz KWJSOBNMLJAURL-NRFANRHFSA-N 0 0 403.530 4.268 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCOC2)cc1 ZINC000461598191 874726077 /nfs/dbraw/zinc/72/60/77/874726077.db2.gz MLOVVICKDYMDMA-IBGZPJMESA-N 0 0 407.562 4.409 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCOC1 ZINC000461601996 874734862 /nfs/dbraw/zinc/73/48/62/874734862.db2.gz SOVIGTKPOUPHBW-OAQYLSRUSA-N 0 0 418.541 4.225 20 30 HIEDRN C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461606123 874744420 /nfs/dbraw/zinc/74/44/20/874744420.db2.gz GPDWOUQAPJWKHN-XQFWAAQXSA-N 0 0 413.525 4.236 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@@H]2CCOC2)cc1 ZINC000461608432 874748653 /nfs/dbraw/zinc/74/86/53/874748653.db2.gz YAEQDUMAVYYTBK-FQEVSTJZSA-N 0 0 411.509 4.147 20 30 HIEDRN C=CC[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCCC1(C)C ZINC000461609789 874751695 /nfs/dbraw/zinc/75/16/95/874751695.db2.gz BJZWVZJEOHOODO-TZIWHRDSSA-N 0 0 405.546 4.424 20 30 HIEDRN C=CCOc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)c1 ZINC000468800770 882866139 /nfs/dbraw/zinc/86/61/39/882866139.db2.gz BYAWBZONWIDFAF-MRXNPFEDSA-N 0 0 401.260 4.078 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3ccco3)C3CCCC3)n2C[C@H]2CCOC2)c1 ZINC000461673261 874823593 /nfs/dbraw/zinc/82/35/93/874823593.db2.gz UUBSQPAOESEHLL-LJQANCHMSA-N 0 0 417.513 4.395 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(Cc3ccco3)C3CCCC3)n2C[C@H]2CCOC2)cc1 ZINC000461686210 874836060 /nfs/dbraw/zinc/83/60/60/874836060.db2.gz GERDWJDYHGXFTJ-LJQANCHMSA-N 0 0 417.513 4.395 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)C3(c4c(Cl)cccc4Cl)CCC3)CC2)nc1 ZINC000468804427 882867978 /nfs/dbraw/zinc/86/79/78/882867978.db2.gz DCKSCSONZZAZTQ-UHFFFAOYSA-N 0 0 415.324 4.031 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCOC1 ZINC000461695660 874845511 /nfs/dbraw/zinc/84/55/11/874845511.db2.gz IXVWKWVMLCORLS-NVXWUHKLSA-N 0 0 422.558 4.152 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC1 ZINC000461697065 874846457 /nfs/dbraw/zinc/84/64/57/874846457.db2.gz SOSBPXSLXYWWOJ-KRWDZBQOSA-N 0 0 412.534 4.299 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)c(F)c2)n1C[C@@H]1CCOC1 ZINC000461701860 874852640 /nfs/dbraw/zinc/85/26/40/874852640.db2.gz NIFHAHAYSYZFBU-SFHVURJKSA-N 0 0 410.493 4.257 20 30 HIEDRN Cc1nc(Sc2nnc(COc3ccc(Cl)cc3)n2C)c(Cl)cc1C#N ZINC000461738050 874882897 /nfs/dbraw/zinc/88/28/97/874882897.db2.gz YGVRUICXBIFYBM-UHFFFAOYSA-N 0 0 406.298 4.427 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nnc1-c1cnccn1 ZINC000461750491 874890603 /nfs/dbraw/zinc/89/06/03/874890603.db2.gz PGRCEFGJUHSJRI-ZDUSSCGKSA-N 0 0 414.922 4.002 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C#N)cc2)c1 ZINC000461791687 874907413 /nfs/dbraw/zinc/90/74/13/874907413.db2.gz WLSJHBULNDWOND-SIKLNZKXSA-N 0 0 419.525 4.444 20 30 HIEDRN CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000461792360 874907703 /nfs/dbraw/zinc/90/77/03/874907703.db2.gz UBSMZPBDGGSXIU-HNNXBMFYSA-N 0 0 418.522 4.103 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461809545 874925422 /nfs/dbraw/zinc/92/54/22/874925422.db2.gz IQASHRRUWZUIEQ-NRFANRHFSA-N 0 0 406.534 4.152 20 30 HIEDRN CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000461813164 874930888 /nfs/dbraw/zinc/93/08/88/874930888.db2.gz WESSZBJWSLGEDT-NRFANRHFSA-N 0 0 423.561 4.314 20 30 HIEDRN C=CCN(Cc1ccccc1Oc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000461818622 874941300 /nfs/dbraw/zinc/94/13/00/874941300.db2.gz RREOHEHTDDWPPW-KRWDZBQOSA-N 0 0 409.910 4.447 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCO1 ZINC000461820072 874943176 /nfs/dbraw/zinc/94/31/76/874943176.db2.gz UGFBUQCRLBNPRE-NRFANRHFSA-N 0 0 417.513 4.480 20 30 HIEDRN CN(Cc1ccc(F)cc1Br)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468826136 882878980 /nfs/dbraw/zinc/87/89/80/882878980.db2.gz FFFNSVOPKXWXEO-UHFFFAOYSA-N 0 0 414.234 4.387 20 30 HIEDRN CCOc1ccccc1N1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000468831486 882880331 /nfs/dbraw/zinc/88/03/31/882880331.db2.gz DSJMEXXXDKCERK-UHFFFAOYSA-N 0 0 416.525 4.306 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCO1 ZINC000461829302 874959025 /nfs/dbraw/zinc/95/90/25/874959025.db2.gz FVCVQBJMGFKNSU-FXAWDEMLSA-N 0 0 400.498 4.305 20 30 HIEDRN C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000468832724 882881637 /nfs/dbraw/zinc/88/16/37/882881637.db2.gz FCHWTAMJFLBWBS-LJQANCHMSA-N 0 0 403.526 4.159 20 30 HIEDRN Cc1cc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)nn1-c1cccc(C#N)c1 ZINC000468836020 882883088 /nfs/dbraw/zinc/88/30/88/882883088.db2.gz DPFSISITOVRDQT-UHFFFAOYSA-N 0 0 420.463 4.426 20 30 HIEDRN Cc1ccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@H]2CCCCO2)o1 ZINC000461847921 874989564 /nfs/dbraw/zinc/98/95/64/874989564.db2.gz ZEXHIADGCMUCLH-OAQYLSRUSA-N 0 0 417.513 4.456 20 30 HIEDRN C[C@@H](c1cccc(O)c1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461853756 874997706 /nfs/dbraw/zinc/99/77/06/874997706.db2.gz OQNDUVLRBNLKRT-HTAPYJJXSA-N 0 0 417.513 4.289 20 30 HIEDRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461854409 874999606 /nfs/dbraw/zinc/99/96/06/874999606.db2.gz MSPHACVGCFRJMT-YLJYHZDGSA-N 0 0 421.501 4.088 20 30 HIEDRN COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1)[C@H]1CC[C@H](C)C1 ZINC000461854571 875000749 /nfs/dbraw/zinc/00/07/49/875000749.db2.gz RGGGUNKVFWDGDN-NYVOZVTQSA-N 0 0 423.561 4.027 20 30 HIEDRN CO[C@]1(C)C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1(C)C ZINC000461859995 875008406 /nfs/dbraw/zinc/00/84/06/875008406.db2.gz YCXSCQWSHBBPMP-YOSAUDMPSA-N 0 0 423.561 4.026 20 30 HIEDRN C=CC[C@@H]1N(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCO2)CCCC1(C)C ZINC000461872853 875025040 /nfs/dbraw/zinc/02/50/40/875025040.db2.gz SWIZVJHEJXLHNT-AQNXPRMDSA-N 0 0 420.598 4.142 20 30 HIEDRN C=CC[C@@H]1N(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCO2)CCCC1(C)C ZINC000461872852 875025606 /nfs/dbraw/zinc/02/56/06/875025606.db2.gz SWIZVJHEJXLHNT-AABGKKOBSA-N 0 0 420.598 4.142 20 30 HIEDRN C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccc(Br)c1 ZINC000461909004 875052312 /nfs/dbraw/zinc/05/23/12/875052312.db2.gz OPKOLQSFNQRNDR-INIZCTEOSA-N 0 0 412.331 4.163 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000461910506 875053195 /nfs/dbraw/zinc/05/31/95/875053195.db2.gz VQRYWVOOSMXDSL-MAUKXSAKSA-N 0 0 413.499 4.086 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000461910508 875053661 /nfs/dbraw/zinc/05/36/61/875053661.db2.gz VQRYWVOOSMXDSL-YJBOKZPZSA-N 0 0 413.499 4.086 20 30 HIEDRN C[C@@H](C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)c1cccc(C#N)c1 ZINC000461915498 875056918 /nfs/dbraw/zinc/05/69/18/875056918.db2.gz GYLKPKDOJMRHHS-OLZOCXBDSA-N 0 0 415.287 4.073 20 30 HIEDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000461919387 875060125 /nfs/dbraw/zinc/06/01/25/875060125.db2.gz PMHCSIZWAOXTNJ-INIZCTEOSA-N 0 0 417.465 4.183 20 30 HIEDRN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C#N)c1 ZINC000461927814 875065852 /nfs/dbraw/zinc/06/58/52/875065852.db2.gz JJVJYROVKCMWEC-WBVHZDCISA-N 0 0 412.331 4.067 20 30 HIEDRN CC(C)(C)Oc1c(F)cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1F ZINC000461927328 875066108 /nfs/dbraw/zinc/06/61/08/875066108.db2.gz TZLJQUDNWWCDEM-UHFFFAOYSA-N 0 0 401.413 4.309 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000461936526 875071959 /nfs/dbraw/zinc/07/19/59/875071959.db2.gz NKWISEQRNGHVBS-FOIQADDNSA-N 0 0 421.476 4.230 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000461941266 875074585 /nfs/dbraw/zinc/07/45/85/875074585.db2.gz NMZBGLLVPGWSDX-DYVFJYSZSA-N 0 0 409.317 4.046 20 30 HIEDRN CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940493 875075074 /nfs/dbraw/zinc/07/50/74/875075074.db2.gz KCNWYDGVMJUJJB-OAOYMFHYSA-N 0 0 406.933 4.384 20 30 HIEDRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1c1nc(C)c(C#N)cc1Cl ZINC000461944938 875078659 /nfs/dbraw/zinc/07/86/59/875078659.db2.gz WITLUJXYVWUZQH-OAQYLSRUSA-N 0 0 421.932 4.355 20 30 HIEDRN COc1ccccc1-c1nc(C2CCN(c3nc(C)c(C#N)cc3Cl)CC2)no1 ZINC000461948399 875079874 /nfs/dbraw/zinc/07/98/74/875079874.db2.gz MVKUPPAMCHASDI-UHFFFAOYSA-N 0 0 409.877 4.358 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000461950974 875082324 /nfs/dbraw/zinc/08/23/24/875082324.db2.gz BMIJHQSDVGGTCO-LAUBAEHRSA-N 0 0 413.905 4.289 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000461950975 875082567 /nfs/dbraw/zinc/08/25/67/875082567.db2.gz BMIJHQSDVGGTCO-UTKZUKDTSA-N 0 0 413.905 4.289 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000461953534 875083999 /nfs/dbraw/zinc/08/39/99/875083999.db2.gz DLJKVWMIDBPVGK-SIKLNZKXSA-N 0 0 424.495 4.074 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1cccc(C#N)c1 ZINC000461967641 875091856 /nfs/dbraw/zinc/09/18/56/875091856.db2.gz SVLBCYXXXYUKLK-MRXNPFEDSA-N 0 0 401.441 4.370 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@]1(COC)OCCc2ccccc21 ZINC000461970531 875092961 /nfs/dbraw/zinc/09/29/61/875092961.db2.gz KFKLEIFDNHSELF-OAQYLSRUSA-N 0 0 420.962 4.214 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)C2)cc1 ZINC000461973902 875096612 /nfs/dbraw/zinc/09/66/12/875096612.db2.gz XHXUPITUTXJRRU-UHFFFAOYSA-N 0 0 418.478 4.167 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000462004303 875126532 /nfs/dbraw/zinc/12/65/32/875126532.db2.gz QTUVDVYJNAYBHZ-UHFFFAOYSA-N 0 0 416.529 4.802 20 30 HIEDRN C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(Br)c1 ZINC000462023673 875140886 /nfs/dbraw/zinc/14/08/86/875140886.db2.gz LQZMVQOVUXHIHT-OAHLLOKOSA-N 0 0 413.315 4.494 20 30 HIEDRN CCC[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462028996 875144172 /nfs/dbraw/zinc/14/41/72/875144172.db2.gz AZQCGMGGAXZAFR-MBSDFSHPSA-N 0 0 418.541 4.186 20 30 HIEDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000462030195 875145185 /nfs/dbraw/zinc/14/51/85/875145185.db2.gz XQMBTAFIWPXGKR-UHFFFAOYSA-N 0 0 408.889 4.105 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCCN3CC(F)(F)F)cc2)c1 ZINC000462036028 875150515 /nfs/dbraw/zinc/15/05/15/875150515.db2.gz ZIIVBNPGDNOAOU-LJQANCHMSA-N 0 0 403.404 4.102 20 30 HIEDRN C=CCN(C(=O)CCc1c[nH]c2ccc(C)cc12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468871022 882900244 /nfs/dbraw/zinc/90/02/44/882900244.db2.gz FVQWFIQHILAGBU-GOSISDBHSA-N 0 0 414.513 4.160 20 30 HIEDRN C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000462065260 875176720 /nfs/dbraw/zinc/17/67/20/875176720.db2.gz 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ZINC000463290721 876350618 /nfs/dbraw/zinc/35/06/18/876350618.db2.gz XMUDXHKHKNFHPY-SFHVURJKSA-N 0 0 422.554 4.131 20 30 HIEDRN COC(=O)c1cc(Br)cc(C(=O)N(CC(C)C)c2ccc(C#N)cc2)c1 ZINC000463316910 876376299 /nfs/dbraw/zinc/37/62/99/876376299.db2.gz VCMHAZKNJPIIAJ-UHFFFAOYSA-N 0 0 415.287 4.410 20 30 HIEDRN COc1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc(NC(C)=O)c1OC ZINC000463336798 876391983 /nfs/dbraw/zinc/39/19/83/876391983.db2.gz DUILEEDAUCXMBP-UHFFFAOYSA-N 0 0 414.461 4.314 20 30 HIEDRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000463345749 876400167 /nfs/dbraw/zinc/40/01/67/876400167.db2.gz XWRYDSQMNHAODO-HNNXBMFYSA-N 0 0 408.976 4.468 20 30 HIEDRN N#CC1(CS(=O)(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000463353357 876406615 /nfs/dbraw/zinc/40/66/15/876406615.db2.gz UJJMQJKEUCIEJE-UHFFFAOYSA-N 0 0 410.417 4.221 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)s2)cc1 ZINC000463356832 876410332 /nfs/dbraw/zinc/41/03/32/876410332.db2.gz DSEVPHWXGNGDIE-UHFFFAOYSA-N 0 0 408.483 4.379 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1Cl ZINC000463358276 876411991 /nfs/dbraw/zinc/41/19/91/876411991.db2.gz PWVJITRDGTUZDC-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN CN(CCc1cccc(Br)c1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000463410692 876463797 /nfs/dbraw/zinc/46/37/97/876463797.db2.gz AHDNUFIRXSDQME-UHFFFAOYSA-N 0 0 406.711 4.087 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CN2Cc3ccc(O)cc3C3(CC3)C2)ccc1Cl ZINC000463411294 876465343 /nfs/dbraw/zinc/46/53/43/876465343.db2.gz FFOIQBXAGIVSMO-UHFFFAOYSA-N 0 0 409.917 4.148 20 30 HIEDRN Cc1sc(NC(=O)CN(C)CCc2cccc(Br)c2)c(C#N)c1C ZINC000463415135 876470365 /nfs/dbraw/zinc/47/03/65/876470365.db2.gz IEMVDTAFPGFIJM-UHFFFAOYSA-N 0 0 406.349 4.112 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000463489324 876548939 /nfs/dbraw/zinc/54/89/39/876548939.db2.gz ITHUEIWUMWTXIM-MAUKXSAKSA-N 0 0 419.859 4.477 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000463502809 876563652 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HIEDRN C=CCN(C(=O)[C@@H]1CCN(c2ccccc2Cl)C1)c1nc(C(=O)OCC)cs1 ZINC000463576716 876674502 /nfs/dbraw/zinc/67/45/02/876674502.db2.gz PGCGPXWOEPONDN-CQSZACIVSA-N 0 0 419.934 4.019 20 30 HIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000463582090 876681633 /nfs/dbraw/zinc/68/16/33/876681633.db2.gz JVNVJHMDRUEZOW-QGZVFWFLSA-N 0 0 405.395 4.115 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000463581616 876681883 /nfs/dbraw/zinc/68/18/83/876681883.db2.gz FDRRKZYSAKFIMP-IBGZPJMESA-N 0 0 404.297 4.186 20 30 HIEDRN C=CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1nc(C(=O)OCC)cs1 ZINC000463585904 876689895 /nfs/dbraw/zinc/68/98/95/876689895.db2.gz BFXKRCPNKGNUDP-NWDGAFQWSA-N 0 0 410.417 4.060 20 30 HIEDRN CC[C@H](C)N(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(C(N)=O)cc1 ZINC000463606131 876726016 /nfs/dbraw/zinc/72/60/16/876726016.db2.gz PKWDRYZFRWFITP-INIZCTEOSA-N 0 0 417.465 4.274 20 30 HIEDRN CCCc1c(NC(=O)N2CC(c3ccccc3F)C2)cnn1-c1cccc(C#N)c1 ZINC000463668398 876789374 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HIEDRN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000463762217 876885464 /nfs/dbraw/zinc/88/54/64/876885464.db2.gz GDRDDHAFYGTPJY-HFMPRLQTSA-N 0 0 421.516 4.259 20 30 HIEDRN CCCOc1ccc(CCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000463767573 876889187 /nfs/dbraw/zinc/88/91/87/876889187.db2.gz XWPOAMWVDGKWTF-HXUWFJFHSA-N 0 0 409.505 4.204 20 30 HIEDRN N#Cc1cn(Cc2nnc(-c3ccccc3)s2)c2ccc(Br)cc2c1=O ZINC000463773095 876894346 /nfs/dbraw/zinc/89/43/46/876894346.db2.gz DGOXWXKYOHULPG-UHFFFAOYSA-N 0 0 423.295 4.202 20 30 HIEDRN C=CCn1c(SCCCS(=O)(=O)c2ccccc2)nnc1-c1ccccc1C ZINC000463794548 876913430 /nfs/dbraw/zinc/91/34/30/876913430.db2.gz RZVMKONSJCALAN-UHFFFAOYSA-N 0 0 413.568 4.396 20 30 HIEDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000463878044 876998135 /nfs/dbraw/zinc/99/81/35/876998135.db2.gz MHGZTSVYGLDQSP-UHFFFAOYSA-N 0 0 415.453 4.377 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCn3c(cc4ccccc43)C2)ccc1OC(F)(F)F ZINC000463904465 877026581 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CC(C)c1ccc(-n2ccnc2SCC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000464048575 877188212 /nfs/dbraw/zinc/18/82/12/877188212.db2.gz IDJBLIWDLLWKOZ-UHFFFAOYSA-N 0 0 408.502 4.415 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sc(C(F)(F)F)nc2C)c1C ZINC000464047459 877189459 /nfs/dbraw/zinc/18/94/59/877189459.db2.gz LSDBVNAVUPVPFS-UHFFFAOYSA-N 0 0 405.405 4.397 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cnn(-c4ccccc4)c3C(F)(F)F)n2)c1 ZINC000464092190 877247897 /nfs/dbraw/zinc/24/78/97/877247897.db2.gz VRTSWEFMQBZGPS-UHFFFAOYSA-N 0 0 422.370 4.201 20 30 HIEDRN Cn1cc(Nc2cccc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)c2)cn1 ZINC000469041971 883112239 /nfs/dbraw/zinc/11/22/39/883112239.db2.gz RTXIPHLAGIPOMZ-UHFFFAOYSA-N 0 0 410.437 4.475 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000464125099 877279516 /nfs/dbraw/zinc/27/95/16/877279516.db2.gz BJMHIRPCLKKIDO-INIZCTEOSA-N 0 0 409.534 4.132 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000464144520 877311235 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N#CCCCN1C(=O)CCc2cc(NC(=O)c3cnc(-c4ccco4)s3)ccc21 ZINC000469957151 884161643 /nfs/dbraw/zinc/16/16/43/884161643.db2.gz SQIKOWLQCGFMFB-UHFFFAOYSA-N 0 0 406.467 4.238 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(F)c(Cl)cc3F)ccc21 ZINC000469958060 884163603 /nfs/dbraw/zinc/16/36/03/884163603.db2.gz ZMXFODYFWQYLLS-UHFFFAOYSA-N 0 0 403.816 4.453 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2OC)c1CC ZINC000469964704 884172785 /nfs/dbraw/zinc/17/27/85/884172785.db2.gz UFNRPJQYRVXMQV-UHFFFAOYSA-N 0 0 420.469 4.180 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3ccccc3OC(F)F)ccc21 ZINC000469968467 884177505 /nfs/dbraw/zinc/17/75/05/884177505.db2.gz BKBKPBOFRLTIDL-UHFFFAOYSA-N 0 0 413.424 4.052 20 30 HIEDRN COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469969541 884179350 /nfs/dbraw/zinc/17/93/50/884179350.db2.gz PACICCBTDDIKMV-GOSISDBHSA-N 0 0 419.525 4.486 20 30 HIEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000469992077 884208653 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HIEDRN CC(=O)N[C@H](CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1)c1ccc(F)cc1F ZINC000470201353 884514757 /nfs/dbraw/zinc/51/47/57/884514757.db2.gz HAEZLZINEGVMBI-JOXBDYEASA-N 0 0 405.489 4.147 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c(C(F)(F)F)c1 ZINC000503824393 912832852 /nfs/dbraw/zinc/83/28/52/912832852.db2.gz VYYVEXQCECDZFZ-SECOEOQKSA-N 0 0 406.429 4.444 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)CC2)cc1 ZINC000503824810 912833051 /nfs/dbraw/zinc/83/30/51/912833051.db2.gz GMRUGRCTZLNSFR-UHFFFAOYSA-N 0 0 412.468 4.301 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 ZINC000470205321 884520339 /nfs/dbraw/zinc/52/03/39/884520339.db2.gz MAXCBUNGTGUOBW-ILBGXUMGSA-N 0 0 421.500 4.228 20 30 HIEDRN Cc1ccc2c(CCC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c[nH]c2c1 ZINC000470210368 884529767 /nfs/dbraw/zinc/52/97/67/884529767.db2.gz UNEATOGNHKWPNS-UHFFFAOYSA-N 0 0 406.917 4.283 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 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ZINC000470347769 884738710 /nfs/dbraw/zinc/73/87/10/884738710.db2.gz XWRSOJYOQBTDAI-UHFFFAOYSA-N 0 0 401.470 4.286 20 30 HIEDRN CSCc1nc2ccccc2n1CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503908476 912860537 /nfs/dbraw/zinc/86/05/37/912860537.db2.gz IOORMJNJVVNBBP-UHFFFAOYSA-N 0 0 402.523 4.087 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCN(c3cccc4cnccc43)C[C@H]2C)cc1OC ZINC000470382860 884781505 /nfs/dbraw/zinc/78/15/05/884781505.db2.gz MCFVJGJYYNNUEN-GOSISDBHSA-N 0 0 417.509 4.159 20 30 HIEDRN COCCCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 ZINC000470398975 884804197 /nfs/dbraw/zinc/80/41/97/884804197.db2.gz TUWOTTFQLQQSQK-UHFFFAOYSA-N 0 0 409.421 4.367 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000503926163 912866872 /nfs/dbraw/zinc/86/68/72/912866872.db2.gz FREPSMCHVRKFRR-QRWLVFNGSA-N 0 0 409.440 4.169 20 30 HIEDRN Cc1nc(C2(NCC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CCCCC2)no1 ZINC000470444365 884841556 /nfs/dbraw/zinc/84/15/56/884841556.db2.gz FTOFPXPORQORBF-UHFFFAOYSA-N 0 0 415.925 4.036 20 30 HIEDRN N#CCCN(C(=O)CN1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(Cl)c1 ZINC000470443642 884841571 /nfs/dbraw/zinc/84/15/71/884841571.db2.gz KDYCNUQEUOOFRS-UHFFFAOYSA-N 0 0 419.916 4.252 20 30 HIEDRN Cn1c(=O)ccc2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc21 ZINC000470446695 884844020 /nfs/dbraw/zinc/84/40/20/884844020.db2.gz SBWWXLOMMFGBOF-UHFFFAOYSA-N 0 0 409.445 4.241 20 30 HIEDRN CCOCCCn1c(S[C@H](C)CCC#N)nc2ccc(Br)cc2c1=O ZINC000470458723 884853575 /nfs/dbraw/zinc/85/35/75/884853575.db2.gz FNXYQOBZLJCTEU-CYBMUJFWSA-N 0 0 424.364 4.370 20 30 HIEDRN Cc1cccc(C[C@H](CO)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1 ZINC000470462208 884856474 /nfs/dbraw/zinc/85/64/74/884856474.db2.gz QCLHNSAVLZUTBM-JOCHJYFZSA-N 0 0 400.478 4.187 20 30 HIEDRN COc1ccc(Br)c(NCC(=O)Nc2ccccc2SCC#N)c1 ZINC000503937219 912872644 /nfs/dbraw/zinc/87/26/44/912872644.db2.gz PZOJWWLOLUQHCA-UHFFFAOYSA-N 0 0 406.305 4.124 20 30 HIEDRN C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 ZINC000470528830 884925839 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ZINC000473692288 888466389 /nfs/dbraw/zinc/46/63/89/888466389.db2.gz PHCBHPMQJYWIHE-OAHLLOKOSA-N 0 0 407.495 4.282 20 30 HIEDRN CCOc1ccc(C(=O)CCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC000473719208 888497865 /nfs/dbraw/zinc/49/78/65/888497865.db2.gz QOKDHORJINGFAN-UHFFFAOYSA-N 0 0 424.472 4.129 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000473771538 888569890 /nfs/dbraw/zinc/56/98/90/888569890.db2.gz CYLCABAINZFBMG-UHFFFAOYSA-N 0 0 400.500 4.267 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000473775743 888576814 /nfs/dbraw/zinc/57/68/14/888576814.db2.gz YWHBBFWYCLGIRU-UHFFFAOYSA-N 0 0 424.398 4.446 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)CSc1ccc(C)cc1 ZINC000473786940 888597453 /nfs/dbraw/zinc/59/74/53/888597453.db2.gz UTOBUDSKUKZVAC-INIZCTEOSA-N 0 0 406.515 4.058 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](CC(N)=O)C2CCCCC2)cc1F ZINC000473804525 888626332 /nfs/dbraw/zinc/62/63/32/888626332.db2.gz IPDWOOYHJFZEBR-LJQANCHMSA-N 0 0 424.476 4.435 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC000473862929 888718371 /nfs/dbraw/zinc/71/83/71/888718371.db2.gz GAXZXRHZQUKXRC-LJQANCHMSA-N 0 0 415.415 4.183 20 30 HIEDRN C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(Br)cn1 ZINC000473982931 888845506 /nfs/dbraw/zinc/84/55/06/888845506.db2.gz PUECDXMTQIOMIO-ZDUSSCGKSA-N 0 0 419.348 4.009 20 30 HIEDRN C=CCNc1ncc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)s1 ZINC000474028326 888878555 /nfs/dbraw/zinc/87/85/55/888878555.db2.gz FREZZJVUADJVDX-UHFFFAOYSA-N 0 0 402.501 4.134 20 30 HIEDRN C=CCNc1ncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000474041223 888885000 /nfs/dbraw/zinc/88/50/00/888885000.db2.gz GLUUVFLZFDDGQA-UHFFFAOYSA-N 0 0 418.566 4.288 20 30 HIEDRN C=CCNc1ncc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000474051770 888890924 /nfs/dbraw/zinc/89/09/24/888890924.db2.gz IVUIGEXLYBVGMK-UHFFFAOYSA-N 0 0 424.492 4.108 20 30 HIEDRN N#C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000474069895 888898902 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CN(CCOc1ccc(Br)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000474188068 889024909 /nfs/dbraw/zinc/02/49/09/889024909.db2.gz GNMORFOIXJNRMD-QGZVFWFLSA-N 0 0 401.304 4.374 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000504518619 913302151 /nfs/dbraw/zinc/30/21/51/913302151.db2.gz MYTCHTGNJGVITJ-UHFFFAOYSA-N 0 0 420.538 4.040 20 30 HIEDRN C=CCN(C(=O)c1cccc([C@@H]2CCCOC2)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000474217864 889056491 /nfs/dbraw/zinc/05/64/91/889056491.db2.gz GKNKKVZLYKKTBF-DNQXCXABSA-N 0 0 421.537 4.383 20 30 HIEDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000474240586 889087272 /nfs/dbraw/zinc/08/72/72/889087272.db2.gz QFABVRVIJVEKKS-FOIQADDNSA-N 0 0 400.931 4.433 20 30 HIEDRN Cc1nc2sccn2c1CN(C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000474274408 889137780 /nfs/dbraw/zinc/13/77/80/889137780.db2.gz GCZGURADGBOTED-GOSISDBHSA-N 0 0 409.559 4.088 20 30 HIEDRN N#Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 ZINC000474353622 889231592 /nfs/dbraw/zinc/23/15/92/889231592.db2.gz UURPSEPEGGZRJF-NRFANRHFSA-N 0 0 424.501 4.144 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000504549674 913324589 /nfs/dbraw/zinc/32/45/89/913324589.db2.gz WXWFCMHUZJNVLY-UHFFFAOYSA-N 0 0 414.509 4.293 20 30 HIEDRN CCO[C@H]1C[C@@](O)(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1(C)C ZINC000474475902 889337045 /nfs/dbraw/zinc/33/70/45/889337045.db2.gz JWOAKFFUXDXZKA-NZQKXSOJSA-N 0 0 409.486 4.038 20 30 HIEDRN CCO[C@H]1C[C@](O)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1(C)C ZINC000474487851 889348122 /nfs/dbraw/zinc/34/81/22/889348122.db2.gz KSEMCCHIBLZERE-REWPJTCUSA-N 0 0 409.486 4.038 20 30 HIEDRN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@@H]1C ZINC000474502697 889365356 /nfs/dbraw/zinc/36/53/56/889365356.db2.gz XLTZOZPTXGJOKE-KXBFYZLASA-N 0 0 423.469 4.022 20 30 HIEDRN N#CCCN(C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1cccc(Cl)c1 ZINC000504576813 913342045 /nfs/dbraw/zinc/34/20/45/913342045.db2.gz CUHYQWPMVCMRPD-UHFFFAOYSA-N 0 0 409.833 4.059 20 30 HIEDRN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000474529308 889400326 /nfs/dbraw/zinc/40/03/26/889400326.db2.gz YDQBZYKKHUPSAW-UHFFFAOYSA-N 0 0 420.494 4.110 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCC[C@@H]3OCc3ccccc3)CC2)cc1 ZINC000474534175 889407290 /nfs/dbraw/zinc/40/72/90/889407290.db2.gz DCCSYRFDMZQLQP-ZEQRLZLVSA-N 0 0 419.525 4.249 20 30 HIEDRN C=CCC[C@@H](NC(=O)NC[C@@H]1CCCN(C(C)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000474553685 889431152 /nfs/dbraw/zinc/43/11/52/889431152.db2.gz IPRUEKUQINOMEH-QFBILLFUSA-N 0 0 411.468 4.270 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000474563330 889440923 /nfs/dbraw/zinc/44/09/23/889440923.db2.gz VYUUHIMDCFHIRM-OSQOMZQFSA-N 0 0 402.482 4.264 20 30 HIEDRN Cc1sc2ncnc(SCCC(=O)N[C@]3(C#N)CCc4ccccc4C3)c2c1C ZINC000474645729 889507328 /nfs/dbraw/zinc/50/73/28/889507328.db2.gz GTTQSIHRMURWLB-JOCHJYFZSA-N 0 0 422.579 4.358 20 30 HIEDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C[C@]2(CCOC2)O1 ZINC000474656489 889519397 /nfs/dbraw/zinc/51/93/97/889519397.db2.gz BWLZMFBKWHOAQI-MQVPCNEGSA-N 0 0 419.525 4.266 20 30 HIEDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C[C@]2(CCOC2)O1 ZINC000474656490 889519422 /nfs/dbraw/zinc/51/94/22/889519422.db2.gz BWLZMFBKWHOAQI-UODBTFMRSA-N 0 0 419.525 4.266 20 30 HIEDRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C[C@@]2(CCOC2)O1 ZINC000474656491 889519912 /nfs/dbraw/zinc/51/99/12/889519912.db2.gz BWLZMFBKWHOAQI-XYURVEJXSA-N 0 0 419.525 4.266 20 30 HIEDRN C[C@H](NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000474664599 889529496 /nfs/dbraw/zinc/52/94/96/889529496.db2.gz URJBNSXQEHPTDH-BVZFJXPGSA-N 0 0 419.525 4.266 20 30 HIEDRN C[C@H](NC(=O)NCC(=O)N1Cc2ccccc2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000474669022 889533978 /nfs/dbraw/zinc/53/39/78/889533978.db2.gz ZJPHDNNGQXSZQU-SFHVURJKSA-N 0 0 424.504 4.128 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000474670510 889535882 /nfs/dbraw/zinc/53/58/82/889535882.db2.gz GYDIWLHGCLKKEK-CQSZACIVSA-N 0 0 401.923 4.441 20 30 HIEDRN C=CCCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000474681531 889544850 /nfs/dbraw/zinc/54/48/50/889544850.db2.gz ZTDVVDBEMXURPG-KRWDZBQOSA-N 0 0 411.315 4.055 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000474685604 889548183 /nfs/dbraw/zinc/54/81/83/889548183.db2.gz YHPSREFHJZQJMZ-FQEVSTJZSA-N 0 0 417.431 4.457 20 30 HIEDRN CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C(C)C)cc1 ZINC000504602268 913358115 /nfs/dbraw/zinc/35/81/15/913358115.db2.gz VIEHDPVPRRNACU-IIBYNOLFSA-N 0 0 409.534 4.071 20 30 HIEDRN Cc1cc(NC(=O)N(Cc2cccc(Br)c2)CC2CC2)nn1CCC#N ZINC000474723470 889580880 /nfs/dbraw/zinc/58/08/80/889580880.db2.gz FHHMQAAZAFKEHT-UHFFFAOYSA-N 0 0 416.323 4.312 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474740928 889597561 /nfs/dbraw/zinc/59/75/61/889597561.db2.gz OFJQVHCOQREBJK-HOCLYGCPSA-N 0 0 423.948 4.454 20 30 HIEDRN C=CCn1c(SCC(=O)NC(C)(C)CF)nnc1-c1ccc(Cl)cc1Cl ZINC000474774733 889632534 /nfs/dbraw/zinc/63/25/34/889632534.db2.gz PTYUCGFIYIGDSZ-UHFFFAOYSA-N 0 0 417.337 4.394 20 30 HIEDRN C[C@@H](C(=O)Nc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1)n1cccn1 ZINC000474779428 889637186 /nfs/dbraw/zinc/63/71/86/889637186.db2.gz GTXPTMOMNVCANL-HKUYNNGSSA-N 0 0 401.470 4.109 20 30 HIEDRN COc1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCc1cccnc1 ZINC000474785512 889643359 /nfs/dbraw/zinc/64/33/59/889643359.db2.gz SPRZVRSJGLBOJU-UHFFFAOYSA-N 0 0 415.493 4.400 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(OC(C)C)c1 ZINC000474822600 889676271 /nfs/dbraw/zinc/67/62/71/889676271.db2.gz ZATWWWMGJOGMCF-UHFFFAOYSA-N 0 0 421.497 4.318 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000474872633 889726371 /nfs/dbraw/zinc/72/63/71/889726371.db2.gz ZJZVIVTVWAGZIB-UHFFFAOYSA-N 0 0 404.518 4.222 20 30 HIEDRN 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20 30 HIEDRN C=CCN(C(=O)Cc1cccc(Br)c1C)c1nc(C(=O)OCC)cs1 ZINC000485583688 900848876 /nfs/dbraw/zinc/84/88/76/900848876.db2.gz NUOGEGLFGDXMNG-UHFFFAOYSA-N 0 0 423.332 4.152 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)NCCSCc1ccccc1F ZINC000505827977 914483057 /nfs/dbraw/zinc/48/30/57/914483057.db2.gz YMCKKYBIQUNOMO-UHFFFAOYSA-N 0 0 403.548 4.163 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CCC[C@@]12CCCCO2 ZINC000505832227 914485352 /nfs/dbraw/zinc/48/53/52/914485352.db2.gz KWEHKFFORJLKCV-QUCCMNQESA-N 0 0 419.312 4.247 20 30 HIEDRN CN1C(=O)C[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000505836520 914487992 /nfs/dbraw/zinc/48/79/92/914487992.db2.gz BUXRFAHNTWLZAG-FNHZYXHNSA-N 0 0 420.271 4.033 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)cc1 ZINC000505835172 914488410 /nfs/dbraw/zinc/48/84/10/914488410.db2.gz VUQBNAXZGLVLAF-BWKNWUBXSA-N 0 0 403.526 4.360 20 30 HIEDRN N#Cc1ccnc(NC(=O)c2cc(I)c(Cl)cc2Cl)c1 ZINC000485709549 900958873 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N#CCCCOc1cccc(NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)c1 ZINC000485765902 901021590 /nfs/dbraw/zinc/02/15/90/901021590.db2.gz YZVXDKUTQWNJGA-UHFFFAOYSA-N 0 0 407.470 4.052 20 30 HIEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000505849662 914498341 /nfs/dbraw/zinc/49/83/41/914498341.db2.gz BGTVNUFTYDAJHO-MLUDITRGSA-N 0 0 420.557 4.129 20 30 HIEDRN COc1nc(C)c(Br)cc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000485770972 901027836 /nfs/dbraw/zinc/02/78/36/901027836.db2.gz ZRTWQOFIFQGVBS-UHFFFAOYSA-N 0 0 402.292 4.084 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc(C(N)=O)cc3)cc2Cl)c1 ZINC000485784817 901039815 /nfs/dbraw/zinc/03/98/15/901039815.db2.gz OSGKQHINMKUDLD-UHFFFAOYSA-N 0 0 419.868 4.071 20 30 HIEDRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000505857633 914505054 /nfs/dbraw/zinc/50/50/54/914505054.db2.gz TXGPCTGCSSSPRI-GOSISDBHSA-N 0 0 423.538 4.141 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485895463 901127102 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902382184 /nfs/dbraw/zinc/38/21/84/902382184.db2.gz STFOFNVTINWXNS-LJQANCHMSA-N 0 0 416.543 4.024 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@@H](CCC)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000505962498 914620415 /nfs/dbraw/zinc/62/04/15/914620415.db2.gz NPWANIKZLHTHAJ-QHCPKHFHSA-N 0 0 421.541 4.389 20 30 HIEDRN CC(=O)N[C@H](CC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)c1ccc(C)cc1 ZINC000487843143 902401395 /nfs/dbraw/zinc/40/13/95/902401395.db2.gz OWZDOZXMUGFENV-HXUWFJFHSA-N 0 0 417.431 4.025 20 30 HIEDRN CN(CCCOCc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487871022 902416693 /nfs/dbraw/zinc/41/66/93/902416693.db2.gz BZRQJOXDXHMJGJ-UHFFFAOYSA-N 0 0 402.292 4.391 20 30 HIEDRN N#C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCOCC1)c1ccccc1F ZINC000505964740 914623480 /nfs/dbraw/zinc/62/34/80/914623480.db2.gz FBXRVUSQURQJDB-SFHVURJKSA-N 0 0 417.278 4.017 20 30 HIEDRN COc1cccc2c1CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CC2 ZINC000487876635 902421633 /nfs/dbraw/zinc/42/16/33/902421633.db2.gz NHSWRSTYRSNWHI-UHFFFAOYSA-N 0 0 419.403 4.141 20 30 HIEDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505960252 914618342 /nfs/dbraw/zinc/61/83/42/914618342.db2.gz NOSHMHSONHCNAM-ZBEGNZNMSA-N 0 0 409.389 4.475 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000487918751 902451563 /nfs/dbraw/zinc/45/15/63/902451563.db2.gz USAMHVJPBHSDHK-UHFFFAOYSA-N 0 0 414.553 4.280 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)cc2)cc1Br ZINC000487925097 902457591 /nfs/dbraw/zinc/45/75/91/902457591.db2.gz VBDWTGUDHQKVJT-MRXNPFEDSA-N 0 0 408.683 4.219 20 30 HIEDRN N#C[C@H](C(=O)c1cccc(COC2CCOCC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000487928643 902460028 /nfs/dbraw/zinc/46/00/28/902460028.db2.gz JFEIBZWETFUTNO-SFHVURJKSA-N 0 0 404.388 4.286 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1Br ZINC000487937657 902467938 /nfs/dbraw/zinc/46/79/38/902467938.db2.gz ZVFWIVVJQAVLFI-KRWDZBQOSA-N 0 0 404.239 4.065 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(COC2CCOCC2)c1 ZINC000487938677 902470347 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20 30 HIEDRN CC(C)(C)C(=O)NCCCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000488021254 902538534 /nfs/dbraw/zinc/53/85/34/902538534.db2.gz BLIMNVVCJNZAGE-UHFFFAOYSA-N 0 0 409.505 4.169 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000505972414 914635050 /nfs/dbraw/zinc/63/50/50/914635050.db2.gz WPMODOHLWSWTEO-LJQANCHMSA-N 0 0 424.382 4.347 20 30 HIEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cs1 ZINC000505972522 914635241 /nfs/dbraw/zinc/63/52/41/914635241.db2.gz XWXMKHSYFCHKKD-CQSZACIVSA-N 0 0 424.448 4.070 20 30 HIEDRN N#CCc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 ZINC000488129484 902626011 /nfs/dbraw/zinc/62/60/11/902626011.db2.gz BWEDOJYDDNWOQG-LJQANCHMSA-N 0 0 413.905 4.405 20 30 HIEDRN N#C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000505980795 914645035 /nfs/dbraw/zinc/64/50/35/914645035.db2.gz FNFRMEJPXDWMGP-KRWDZBQOSA-N 0 0 406.244 4.254 20 30 HIEDRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000488159875 902653513 /nfs/dbraw/zinc/65/35/13/902653513.db2.gz ISVUQPFDPUUJKK-UHFFFAOYSA-N 0 0 400.338 4.239 20 30 HIEDRN CN(C)[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000505982866 914647992 /nfs/dbraw/zinc/64/79/92/914647992.db2.gz WHMSYWIGBUXTEK-WBVHZDCISA-N 0 0 413.802 4.482 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000505982373 914648477 /nfs/dbraw/zinc/64/84/77/914648477.db2.gz RRTGITFYLQIQCU-WOJBJXKFSA-N 0 0 418.415 4.323 20 30 HIEDRN CCOc1ccc(CN2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc1 ZINC000488212641 902694872 /nfs/dbraw/zinc/69/48/72/902694872.db2.gz CGNGDSJBXRXCHO-UHFFFAOYSA-N 0 0 408.452 4.106 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000488214300 902696383 /nfs/dbraw/zinc/69/63/83/902696383.db2.gz UZUOKFURZHZRQA-JOCHJYFZSA-N 0 0 400.478 4.088 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc4cn(C(C)C)nc4c3)C2)n1 ZINC000488224706 902705060 /nfs/dbraw/zinc/70/50/60/902705060.db2.gz VARFTTWRPBQYFR-LJQANCHMSA-N 0 0 402.502 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902765214 /nfs/dbraw/zinc/76/52/14/902765214.db2.gz JVINKJPLSIZYAK-UHFFFAOYSA-N 0 0 412.449 4.374 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1cc(C(=O)NCCOC)ccc1Cl)c1ccccc1 ZINC000488384957 902794946 /nfs/dbraw/zinc/79/49/46/902794946.db2.gz BSIIAVRXOIEOMJ-GOSISDBHSA-N 0 0 400.906 4.405 20 30 HIEDRN C=CCOc1ccc(CNC(=O)NC2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000488436922 902825543 /nfs/dbraw/zinc/82/55/43/902825543.db2.gz BXYMHUFZJLLUFY-UHFFFAOYSA-N 0 0 422.554 4.329 20 30 HIEDRN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464533 902838618 /nfs/dbraw/zinc/83/86/18/902838618.db2.gz JUSSTPXSOQBNFG-OXJNMPFZSA-N 0 0 402.523 4.133 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000488476033 902845432 /nfs/dbraw/zinc/84/54/32/902845432.db2.gz FRXVFKWNJOILBG-SFHVURJKSA-N 0 0 403.324 4.461 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1Cl ZINC000488480266 902847935 /nfs/dbraw/zinc/84/79/35/902847935.db2.gz IBNOSWHULUEQMB-AWEZNQCLSA-N 0 0 420.856 4.215 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1Cl ZINC000488488314 902850837 /nfs/dbraw/zinc/85/08/37/902850837.db2.gz BJRZIGDMJUWELT-LBPRGKRZSA-N 0 0 410.886 4.151 20 30 HIEDRN C[C@@H](N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1)C(F)(F)F ZINC000488505442 902861161 /nfs/dbraw/zinc/86/11/61/902861161.db2.gz ZBKLUDRXKRBLNK-OAHLLOKOSA-N 0 0 403.404 4.059 20 30 HIEDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488530822 902871925 /nfs/dbraw/zinc/87/19/25/902871925.db2.gz SIOXLITVZSYNKM-RUZDIDTESA-N 0 0 421.504 4.069 20 30 HIEDRN C=CCc1ccc(OC[C@@H](O)CSc2nc(C(F)(F)F)ccc2C#N)c(OC)c1 ZINC000488552850 902881102 /nfs/dbraw/zinc/88/11/02/902881102.db2.gz VKSJEABYWBJGCV-OAHLLOKOSA-N 0 0 424.444 4.241 20 30 HIEDRN COC[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(Cl)cc1 ZINC000488574019 902888375 /nfs/dbraw/zinc/88/83/75/902888375.db2.gz FZENEICPORJQJV-KRWDZBQOSA-N 0 0 413.840 4.046 20 30 HIEDRN CC1(C)CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 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C=CCn1c(S[C@H](CC(C)C)C(=O)OCC)nnc1[C@@H]1COc2ccccc2O1 ZINC000543863322 940215226 /nfs/dbraw/zinc/21/52/26/940215226.db2.gz VGCVFSAPIPJLBM-ZWKOTPCHSA-N 0 0 417.531 4.047 20 30 HIEDRN COc1ccccc1[C@@H](C)N(C)C(=O)CNc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543864160 940215693 /nfs/dbraw/zinc/21/56/93/940215693.db2.gz AQILTNSRLUCNRS-OAHLLOKOSA-N 0 0 423.904 4.037 20 30 HIEDRN O=C(CN[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)NCc1ccccc1F ZINC000543870945 940218770 /nfs/dbraw/zinc/21/87/70/940218770.db2.gz JMQAVUTWLGFHFN-INIZCTEOSA-N 0 0 424.316 4.234 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000543872471 940219321 /nfs/dbraw/zinc/21/93/21/940219321.db2.gz UMPLVTFJWFJYIW-UHFFFAOYSA-N 0 0 407.792 4.444 20 30 HIEDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543873645 940220253 /nfs/dbraw/zinc/22/02/53/940220253.db2.gz ZFZSFFSWTYXJNW-UHFFFAOYSA-N 0 0 409.833 4.483 20 30 HIEDRN Cc1ccnc(OC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c1 ZINC000543882703 940224462 /nfs/dbraw/zinc/22/44/62/940224462.db2.gz VNMHZTLNTXJSCZ-UHFFFAOYSA-N 0 0 404.392 4.356 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000543883524 940225190 /nfs/dbraw/zinc/22/51/90/940225190.db2.gz PZSZXKVNWLDDFQ-JKSUJKDBSA-N 0 0 410.547 4.276 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)n2)c(F)c1 ZINC000543886422 940225999 /nfs/dbraw/zinc/22/59/99/940225999.db2.gz IPFPQMOQNOLSAH-PZJWPPBQSA-N 0 0 423.423 4.064 20 30 HIEDRN COc1ccc([C@H](C)NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1F ZINC000543886380 940226069 /nfs/dbraw/zinc/22/60/69/940226069.db2.gz HILOIJSNKCPXKP-LBPRGKRZSA-N 0 0 413.840 4.428 20 30 HIEDRN Cc1[nH]c2ccc(CNC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cc2c1C ZINC000543885852 940226103 /nfs/dbraw/zinc/22/61/03/940226103.db2.gz YTCIJGMDGOUOCN-UHFFFAOYSA-N 0 0 402.433 4.303 20 30 HIEDRN CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 ZINC000543887170 940226421 /nfs/dbraw/zinc/22/64/21/940226421.db2.gz HENKEOPJTSIJLC-IRXDYDNUSA-N 0 0 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N#Cc1ccncc1N1CCN(C(=O)c2ccccc2SCc2cccs2)CC1 ZINC000557746372 943277508 /nfs/dbraw/zinc/27/75/08/943277508.db2.gz ZZODNJATZZINHY-UHFFFAOYSA-N 0 0 420.563 4.269 20 30 HIEDRN C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557760111 943282040 /nfs/dbraw/zinc/28/20/40/943282040.db2.gz ZGYUNTWLZJLXDP-JLTOFOAXSA-N 0 0 417.431 4.245 20 30 HIEDRN N#Cc1c(NC(=O)Cn2ccc(=O)c3ccccc32)sc2c1-c1ccccc1CC2 ZINC000557792627 943292496 /nfs/dbraw/zinc/29/24/96/943292496.db2.gz ZNLXANWZADIHSB-UHFFFAOYSA-N 0 0 411.486 4.339 20 30 HIEDRN C=CCn1c(SCCn2nc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000557839839 943310123 /nfs/dbraw/zinc/31/01/23/943310123.db2.gz GKKYKUVYUXHJGN-UHFFFAOYSA-N 0 0 400.573 4.128 20 30 HIEDRN Cc1cccc(COc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3)cc2)c1 ZINC000557880150 943318849 /nfs/dbraw/zinc/31/88/49/943318849.db2.gz DHBSRRZSSAQKTR-UHFFFAOYSA-N 0 0 406.507 4.065 20 30 HIEDRN N#Cc1ccc(NC(=O)CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC000557934696 943333041 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HIEDRN O=C(NCC#Cc1cccc(F)c1)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000558892710 943725159 /nfs/dbraw/zinc/72/51/59/943725159.db2.gz PDRLIEOKUCNVLX-UHFFFAOYSA-N 0 0 412.468 4.075 20 30 HIEDRN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1 ZINC000558925396 943749713 /nfs/dbraw/zinc/74/97/13/943749713.db2.gz IGJPHLQNGPOAIR-QGZVFWFLSA-N 0 0 405.477 4.345 20 30 HIEDRN CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2ccccc2)cc1OC ZINC000558945195 943764698 /nfs/dbraw/zinc/76/46/98/943764698.db2.gz RZGWKYPDKBBAFV-GOSISDBHSA-N 0 0 419.529 4.191 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000558962638 943772061 /nfs/dbraw/zinc/77/20/61/943772061.db2.gz TWKGGFPWDXOPBJ-HSZRJFAPSA-N 0 0 405.542 4.008 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N(C)Cc1cnn(-c2ccccc2)c1 ZINC000558981612 943784267 /nfs/dbraw/zinc/78/42/67/943784267.db2.gz GQAYDPOQNREKNI-UHFFFAOYSA-N 0 0 402.502 4.055 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCc1ncc(C)s1 ZINC000558981471 943784307 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855740800 /nfs/dbraw/zinc/74/08/00/855740800.db2.gz MMETZLZHIUIKKQ-LBPRGKRZSA-N 0 0 401.348 4.161 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1cccc(C#N)c1 ZINC000409964872 855749642 /nfs/dbraw/zinc/74/96/42/855749642.db2.gz GSPUPFKHBPYAOJ-UHFFFAOYSA-N 0 0 421.464 4.006 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCn4c(cc5cc(Cl)ccc54)C3)n2)c1 ZINC000409982432 855760886 /nfs/dbraw/zinc/76/08/86/855760886.db2.gz ICOVYKCOJNTAGQ-UHFFFAOYSA-N 0 0 401.857 4.008 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1cccc(C)c1 ZINC000409997903 855770433 /nfs/dbraw/zinc/77/04/33/855770433.db2.gz JQFQXZOFAYBPJJ-UHFFFAOYSA-N 0 0 410.481 4.443 20 30 HIEDRN Cc1nc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1I ZINC000410006415 855776061 /nfs/dbraw/zinc/77/60/61/855776061.db2.gz DXNMAFVPHWFHCF-CQSZACIVSA-N 0 0 405.239 4.021 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cnn(-c4ccc(Cl)cc4Cl)c3)n2)c1 ZINC000410070813 855808384 /nfs/dbraw/zinc/80/83/84/855808384.db2.gz ALUVQMGULVTDLO-UHFFFAOYSA-N 0 0 423.263 4.489 20 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ZINC000410237311 855875005 /nfs/dbraw/zinc/87/50/05/855875005.db2.gz FXCPVKGZMJMFQU-UHFFFAOYSA-N 0 0 419.506 4.025 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC[C@H]2CCCC(F)(F)C2)nnc1-c1ccco1 ZINC000410258019 855885127 /nfs/dbraw/zinc/88/51/27/855885127.db2.gz CKRIOPSVDWRFCN-AWEZNQCLSA-N 0 0 410.490 4.148 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCCC(F)(F)C2)nnc1-c1ccco1 ZINC000410258020 855885483 /nfs/dbraw/zinc/88/54/83/855885483.db2.gz CKRIOPSVDWRFCN-CQSZACIVSA-N 0 0 410.490 4.148 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000437397920 862738374 /nfs/dbraw/zinc/73/83/74/862738374.db2.gz QIVQGESJJLVVIH-LLVKDONJSA-N 0 0 424.259 4.481 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccccc1 ZINC000410340328 855937358 /nfs/dbraw/zinc/93/73/58/855937358.db2.gz XPZYUQSGHRSMRG-INIZCTEOSA-N 0 0 417.440 4.092 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C ZINC000410352961 855944608 /nfs/dbraw/zinc/94/46/08/855944608.db2.gz LOIXFCAOLLCTOZ-UHFFFAOYSA-N 0 0 400.544 4.443 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000410354596 855945622 /nfs/dbraw/zinc/94/56/22/855945622.db2.gz QJBGJXKUBMHGBQ-OFNKIYASSA-N 0 0 410.514 4.474 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC000410355740 855947010 /nfs/dbraw/zinc/94/70/10/855947010.db2.gz SKZVZKFHNVGJKX-NRFANRHFSA-N 0 0 408.498 4.066 20 30 HIEDRN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000410396076 855972103 /nfs/dbraw/zinc/97/21/03/855972103.db2.gz GGENLUSUJGENRP-UHFFFAOYSA-N 0 0 408.321 4.332 20 30 HIEDRN Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000410399575 855975005 /nfs/dbraw/zinc/97/50/05/855975005.db2.gz PVZUBWNGGKMJCJ-UHFFFAOYSA-N 0 0 418.350 4.385 20 30 HIEDRN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000410415932 855984350 /nfs/dbraw/zinc/98/43/50/855984350.db2.gz FRIGIJLQLDCRLZ-UHFFFAOYSA-N 0 0 420.416 4.087 20 30 HIEDRN CCc1nc(C)c(CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000425941722 856011118 /nfs/dbraw/zinc/01/11/18/856011118.db2.gz KFROQKQYBNQWBD-UHFFFAOYSA-N 0 0 406.461 4.468 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000426074175 856088298 /nfs/dbraw/zinc/08/82/98/856088298.db2.gz CTJQOJLIRLXVCZ-IFMALSPDSA-N 0 0 412.555 4.238 20 30 HIEDRN C[C@H](CCCC(F)(F)F)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000426084111 856095900 /nfs/dbraw/zinc/09/59/00/856095900.db2.gz GNACRSVAQBVQBW-OAHLLOKOSA-N 0 0 419.451 4.059 20 30 HIEDRN C[C@H](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1c[nH]c2ccccc21 ZINC000426108894 856112359 /nfs/dbraw/zinc/11/23/59/856112359.db2.gz JVBMSCWZLKXNFY-QGZVFWFLSA-N 0 0 414.509 4.410 20 30 HIEDRN Cc1nc(NC(=O)c2ccc(Br)c3c2OCCC3)sc1SCC#N ZINC000426117278 856118152 /nfs/dbraw/zinc/11/81/52/856118152.db2.gz ZURNMKASCQLFOF-UHFFFAOYSA-N 0 0 424.345 4.407 20 30 HIEDRN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426142683 856135710 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HIEDRN COCc1nc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)cs1 ZINC000437410981 862772689 /nfs/dbraw/zinc/77/26/89/862772689.db2.gz IYETXCUJWFZRHJ-ZDUSSCGKSA-N 0 0 407.586 4.413 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@H]1CCCOCC1)c1ccc2c(c1)OCCO2 ZINC000426316783 856241329 /nfs/dbraw/zinc/24/13/29/856241329.db2.gz JMFSKWBMUWVPAA-IBGZPJMESA-N 0 0 423.509 4.373 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)cc1 ZINC000426368924 856261514 /nfs/dbraw/zinc/26/15/14/856261514.db2.gz FXNYJZOIPQOPHQ-UHFFFAOYSA-N 0 0 411.461 4.038 20 30 HIEDRN C=CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426395649 856272987 /nfs/dbraw/zinc/27/29/87/856272987.db2.gz KIBQNYSTHRDULU-LJQANCHMSA-N 0 0 424.508 4.422 20 30 HIEDRN C=CCC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000426426633 856284960 /nfs/dbraw/zinc/28/49/60/856284960.db2.gz IZUMVOMRRJFRFO-LJQANCHMSA-N 0 0 416.481 4.205 20 30 HIEDRN CC(C)CCc1cc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)n[nH]1 ZINC000426436772 856290538 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HIEDRN COc1ccccc1NC(=O)C1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437416897 862786489 /nfs/dbraw/zinc/78/64/89/862786489.db2.gz GDVZOUJPXIUEJV-UHFFFAOYSA-N 0 0 415.440 4.019 20 30 HIEDRN C=CC[C@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 ZINC000426593612 856363837 /nfs/dbraw/zinc/36/38/37/856363837.db2.gz PEMYJEFXMAXZRF-NRFANRHFSA-N 0 0 410.495 4.057 20 30 HIEDRN N#Cc1cccc(NCC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 ZINC000426601219 856367133 /nfs/dbraw/zinc/36/71/33/856367133.db2.gz RKUIHPNNOVCVJI-SFHVURJKSA-N 0 0 408.260 4.016 20 30 HIEDRN Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(C)o1 ZINC000426671071 856404880 /nfs/dbraw/zinc/40/48/80/856404880.db2.gz UWNBMQIEBHGFOB-OAHLLOKOSA-N 0 0 403.438 4.376 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000437425154 862801342 /nfs/dbraw/zinc/80/13/42/862801342.db2.gz XOGFKCPJEGVSKO-HNNXBMFYSA-N 0 0 420.444 4.113 20 30 HIEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@@H](CCc3ccccc3)C(=O)[O-])c2)c1 ZINC000426787086 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N#CCCn1ncc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1-c1ccccc1 ZINC000428620106 857280056 /nfs/dbraw/zinc/28/00/56/857280056.db2.gz HROLTCLNPLECIM-LJQANCHMSA-N 0 0 402.473 4.308 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000428632348 857283868 /nfs/dbraw/zinc/28/38/68/857283868.db2.gz SKTOKFULQJFSNC-UHFFFAOYSA-N 0 0 420.856 4.181 20 30 HIEDRN Cc1ccc([C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000428639061 857285728 /nfs/dbraw/zinc/28/57/28/857285728.db2.gz DBCQJBWNYFJEPT-INIZCTEOSA-N 0 0 403.442 4.171 20 30 HIEDRN CCCC[C@H](NC(=O)c1cc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000437574642 862894109 /nfs/dbraw/zinc/89/41/09/862894109.db2.gz DZBPUIPQBGPMPF-IBGZPJMESA-N 0 0 410.543 4.147 20 30 HIEDRN N#CCCn1ncc(C(=O)NC[C@H]2SCCc3ccccc32)c1-c1ccccc1 ZINC000428654071 857290363 /nfs/dbraw/zinc/29/03/63/857290363.db2.gz ZYAIPBSTFIUJNI-OAQYLSRUSA-N 0 0 402.523 4.224 20 30 HIEDRN CC[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Oc1ccccc1F ZINC000428657969 857291656 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CCOc1ccc(C(=O)N(C)C)cc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000428793107 857342593 /nfs/dbraw/zinc/34/25/93/857342593.db2.gz JBVZMJQDAFZZTN-UHFFFAOYSA-N 0 0 410.474 4.114 20 30 HIEDRN COc1ccc(C[C@H](C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428794024 857343584 /nfs/dbraw/zinc/34/35/84/857343584.db2.gz MGHDOXQYRYGRHU-SFHVURJKSA-N 0 0 402.498 4.081 20 30 HIEDRN C=CCCCN(C)C(=O)Nc1ccc(I)cc1Br ZINC000428807325 857353155 /nfs/dbraw/zinc/35/31/55/857353155.db2.gz LJXWBMIQWPATLJ-UHFFFAOYSA-N 0 0 423.092 4.484 20 30 HIEDRN CC(C)(C)C(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000428868481 857378834 /nfs/dbraw/zinc/37/88/34/857378834.db2.gz WDORIWZBTYZIFJ-UHFFFAOYSA-N 0 0 408.477 4.280 20 30 HIEDRN C=CCN(CCC#N)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000428870796 857380277 /nfs/dbraw/zinc/38/02/77/857380277.db2.gz GOBUATUDKVBYFL-LJQANCHMSA-N 0 0 402.454 4.105 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000428882947 857387354 /nfs/dbraw/zinc/38/73/54/857387354.db2.gz OVMGSVQQKPDFRA-RXAIFQJESA-N 0 0 401.557 4.340 20 30 HIEDRN C[C@@H](N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1)C(F)(F)F ZINC000428884472 857388693 /nfs/dbraw/zinc/38/86/93/857388693.db2.gz FUMCKFYDBDSLRH-UONOGXRCSA-N 0 0 400.470 4.181 20 30 HIEDRN OC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(F)c1 ZINC000429002421 857451590 /nfs/dbraw/zinc/45/15/90/857451590.db2.gz HOMTVWPGGGRKPI-QGZVFWFLSA-N 0 0 416.212 4.282 20 30 HIEDRN Cc1c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cccc1N1CCNC1=O ZINC000429014963 857458012 /nfs/dbraw/zinc/45/80/12/857458012.db2.gz ZSMAXSPEOXVEBI-UHFFFAOYSA-N 0 0 408.527 4.369 20 30 HIEDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429032871 857467427 /nfs/dbraw/zinc/46/74/27/857467427.db2.gz XHEMBBNGEQLPAV-LJQANCHMSA-N 0 0 424.508 4.830 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000429066194 857489731 /nfs/dbraw/zinc/48/97/31/857489731.db2.gz VBPGXJXCDCQIKJ-HXUWFJFHSA-N 0 0 407.861 4.264 20 30 HIEDRN C[C@H](Cc1ccncc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000429066693 857490875 /nfs/dbraw/zinc/49/08/75/857490875.db2.gz VQMLLWJRLYUDSB-MRXNPFEDSA-N 0 0 404.445 4.424 20 30 HIEDRN N#CCC[C@@H](NC(=O)NCCOc1ccc(Br)cc1)c1ccccc1 ZINC000429068875 857491800 /nfs/dbraw/zinc/49/18/00/857491800.db2.gz GEWSYTWQMQNWTQ-GOSISDBHSA-N 0 0 402.292 4.172 20 30 HIEDRN CCOc1ccc(C2(CNC(=O)N[C@H](CCC#N)c3ccccc3)CCOCC2)cc1 ZINC000429069350 857491975 /nfs/dbraw/zinc/49/19/75/857491975.db2.gz JCANQVNDNQKHIF-HSZRJFAPSA-N 0 0 421.541 4.478 20 30 HIEDRN N#CCC[C@H](NC(=O)NCCc1cc(Br)ccc1F)c1ccccc1 ZINC000429068534 857492215 /nfs/dbraw/zinc/49/22/15/857492215.db2.gz DYKUNCONRJCKBY-SFHVURJKSA-N 0 0 404.283 4.475 20 30 HIEDRN CCN1C(=O)CCc2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc21 ZINC000429083001 857501345 /nfs/dbraw/zinc/50/13/45/857501345.db2.gz BBFGVOLWYXSBSM-UHFFFAOYSA-N 0 0 413.481 4.015 20 30 HIEDRN C[C@H](c1ccsc1)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429089910 857504403 /nfs/dbraw/zinc/50/44/03/857504403.db2.gz BZIGQKKMCJRDDD-GOSISDBHSA-N 0 0 419.554 4.044 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429118759 857518440 /nfs/dbraw/zinc/51/84/40/857518440.db2.gz YEKLNNWJJVPQQN-MRXNPFEDSA-N 0 0 419.294 4.159 20 30 HIEDRN CC[C@]1(CO)CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000429137922 857528442 /nfs/dbraw/zinc/52/84/42/857528442.db2.gz TYLDSJXHIZBZQD-DEOSSOPVSA-N 0 0 407.514 4.348 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429147357 857531092 /nfs/dbraw/zinc/53/10/92/857531092.db2.gz FANZDWBHYARYSY-UHFFFAOYSA-N 0 0 407.514 4.158 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCn3ccnc3C2)cc1Cl ZINC000429169258 857539892 /nfs/dbraw/zinc/53/98/92/857539892.db2.gz ABDMWTKKFXXHCK-PKOBYXMFSA-N 0 0 405.889 4.328 20 30 HIEDRN C=CCN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccccc1 ZINC000429251445 857575653 /nfs/dbraw/zinc/57/56/53/857575653.db2.gz CQGPJGGATBXRCF-UHFFFAOYSA-N 0 0 417.531 4.159 20 30 HIEDRN CSC[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000429289104 857591735 /nfs/dbraw/zinc/59/17/35/857591735.db2.gz XTPGTFVIJOGBPN-SFHVURJKSA-N 0 0 402.608 4.495 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCn4ccnc4C3)cc2Cl)cc1 ZINC000429350151 857615381 /nfs/dbraw/zinc/61/53/81/857615381.db2.gz BFOGRJJRDKMJNI-INIZCTEOSA-N 0 0 407.861 4.337 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1nc(Cc2ccccc2)no1 ZINC000429378789 857632393 /nfs/dbraw/zinc/63/23/93/857632393.db2.gz IJNBJHUZQQAXJD-WMQCIHAUSA-N 0 0 415.497 4.203 20 30 HIEDRN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000429448842 857674601 /nfs/dbraw/zinc/67/46/01/857674601.db2.gz HFDYKSGEMJJQOY-DJSBCALVSA-N 0 0 422.916 4.126 20 30 HIEDRN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)c3nc4c(nccc4C)[nH]3)cc12 ZINC000429568527 857754718 /nfs/dbraw/zinc/75/47/18/857754718.db2.gz IZQDLRCSTIEJHO-MRXNPFEDSA-N 0 0 412.478 4.465 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)nc21 ZINC000429578554 857765038 /nfs/dbraw/zinc/76/50/38/857765038.db2.gz NQYZPFGOTCWPIO-LJQANCHMSA-N 0 0 409.449 4.033 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(NC(=O)c4cccs4)cc3)nc21 ZINC000429587178 857771476 /nfs/dbraw/zinc/77/14/76/857771476.db2.gz YYMNXBARUFRVRP-HNNXBMFYSA-N 0 0 401.451 4.070 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)nc21 ZINC000429589360 857772755 /nfs/dbraw/zinc/77/27/55/857772755.db2.gz JNMJEDKJLBVTFE-LJQANCHMSA-N 0 0 411.465 4.347 20 30 HIEDRN CN(Cc1ccc(Br)o1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429710157 857845104 /nfs/dbraw/zinc/84/51/04/857845104.db2.gz UXYBHAGDEDSYFQ-UHFFFAOYSA-N 0 0 413.275 4.091 20 30 HIEDRN Cc1cccnc1OC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000429727212 857852336 /nfs/dbraw/zinc/85/23/36/857852336.db2.gz BHUFWTMUYFZDMG-UHFFFAOYSA-N 0 0 424.570 4.074 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000429758638 857874358 /nfs/dbraw/zinc/87/43/58/857874358.db2.gz QVRZXJKEUGJVHP-IEBWSBKVSA-N 0 0 407.367 4.004 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)c1 ZINC000429793445 857887545 /nfs/dbraw/zinc/88/75/45/857887545.db2.gz MDRFIIPMSBUHHN-UHFFFAOYSA-N 0 0 419.378 4.207 20 30 HIEDRN COc1ccc(Cn2ncc(C)c2NC(=O)c2cccc(SCC#N)c2)cc1OC ZINC000429839417 857906027 /nfs/dbraw/zinc/90/60/27/857906027.db2.gz LQQGWDROBMCDMU-UHFFFAOYSA-N 0 0 422.510 4.125 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(Cc1ccco1)C(C)C ZINC000429907736 857938278 /nfs/dbraw/zinc/93/82/78/857938278.db2.gz CSRSFCWVAZKDMO-UHFFFAOYSA-N 0 0 418.453 4.023 20 30 HIEDRN C[C@@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 ZINC000429929546 857952876 /nfs/dbraw/zinc/95/28/76/857952876.db2.gz VSHGOXZUPIGYSF-TZMCWYRMSA-N 0 0 413.465 4.297 20 30 HIEDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(SCC#N)c1 ZINC000429928624 857953405 /nfs/dbraw/zinc/95/34/05/857953405.db2.gz UUZCZISNUCKTJK-UHFFFAOYSA-N 0 0 408.310 4.320 20 30 HIEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H]1CC12CCCC2 ZINC000429935705 857958166 /nfs/dbraw/zinc/95/81/66/857958166.db2.gz HCQFFHOGLSEFBC-OAHLLOKOSA-N 0 0 411.449 4.099 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000429943258 857961323 /nfs/dbraw/zinc/96/13/23/857961323.db2.gz FSSXGDCVALWHHU-UHFFFAOYSA-N 0 0 421.444 4.410 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnc(OCc3ccccc3)cn2)cc1 ZINC000430056972 858015701 /nfs/dbraw/zinc/01/57/01/858015701.db2.gz VYTTVXHHLNGNCL-UHFFFAOYSA-N 0 0 402.454 4.015 20 30 HIEDRN COc1ccc(-n2c(S[C@@H]3CC[C@@H](C#N)C3)nc3ccccc3c2=O)cc1OC ZINC000430088581 858026256 /nfs/dbraw/zinc/02/62/56/858026256.db2.gz KQMCHHUKEDVHNJ-GDBMZVCRSA-N 0 0 407.495 4.187 20 30 HIEDRN COc1ccc(-n2c(S[C@H]3CC[C@H](C#N)C3)nc3ccccc3c2=O)cc1OC ZINC000430088586 858026442 /nfs/dbraw/zinc/02/64/42/858026442.db2.gz KQMCHHUKEDVHNJ-HOCLYGCPSA-N 0 0 407.495 4.187 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000430115136 858037785 /nfs/dbraw/zinc/03/77/85/858037785.db2.gz FOUMYYLLBLLTDH-UKILVPOCSA-N 0 0 400.453 4.260 20 30 HIEDRN Cc1ccccc1-n1c2nnc(S[C@@H]3CC[C@H](C#N)C3)n2c2ccccc2c1=O ZINC000430115403 858038006 /nfs/dbraw/zinc/03/80/06/858038006.db2.gz GDNZUSYWPRYQAB-JKSUJKDBSA-N 0 0 401.495 4.126 20 30 HIEDRN C=CC[C@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1 ZINC000430118826 858040306 /nfs/dbraw/zinc/04/03/06/858040306.db2.gz FJJQTRHQDWJMLZ-PXNSSMCTSA-N 0 0 402.332 4.076 20 30 HIEDRN N#Cc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1 ZINC000430193705 858076524 /nfs/dbraw/zinc/07/65/24/858076524.db2.gz SMIJUIOLOKXIHJ-WKILWMFISA-N 0 0 402.267 4.205 20 30 HIEDRN N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000430246102 858095790 /nfs/dbraw/zinc/09/57/90/858095790.db2.gz CZCRJXLXSRWQRD-LJQANCHMSA-N 0 0 400.503 4.453 20 30 HIEDRN CCCc1c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1-c1ccccc1C ZINC000430270630 858103960 /nfs/dbraw/zinc/10/39/60/858103960.db2.gz SHOAXDBPVURBFF-DEOSSOPVSA-N 0 0 414.509 4.219 20 30 HIEDRN CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](C)Cc1ccsc1 ZINC000430327482 858122165 /nfs/dbraw/zinc/12/21/65/858122165.db2.gz BTNVDUGZWJIRHD-PBPGXSGUSA-N 0 0 412.559 4.367 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000430360264 858133089 /nfs/dbraw/zinc/13/30/89/858133089.db2.gz PEWRANMPJLIGOL-UHFFFAOYSA-N 0 0 410.882 4.438 20 30 HIEDRN CC1=C[C@H](C)CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 ZINC000430465835 858180143 /nfs/dbraw/zinc/18/01/43/858180143.db2.gz QSEZFESRYVAXGK-LBPRGKRZSA-N 0 0 411.449 4.074 20 30 HIEDRN C=CCc1cc(CNC(=O)N2CCCC[C@@H]2c2nccn2CC)cc(OC)c1OC ZINC000430572764 858223598 /nfs/dbraw/zinc/22/35/98/858223598.db2.gz OSKWTSPENBLOLR-LJQANCHMSA-N 0 0 412.534 4.086 20 30 HIEDRN CCc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC000430586644 858228287 /nfs/dbraw/zinc/22/82/87/858228287.db2.gz WQQVNOSHUFTPPN-UHFFFAOYSA-N 0 0 412.555 4.034 20 30 HIEDRN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cc3c(c(Br)c2)OCO3)s1 ZINC000430612551 858236030 /nfs/dbraw/zinc/23/60/30/858236030.db2.gz RSKJGRRFVSEBOO-SNVBAGLBSA-N 0 0 407.289 4.422 20 30 HIEDRN CC(C)N1C(=O)N(Cc2cccc(C#N)c2)C(=O)[C@@H]1c1ccc(Br)cc1 ZINC000430727794 858279956 /nfs/dbraw/zinc/27/99/56/858279956.db2.gz ZMMRLZBIDHUTTM-SFHVURJKSA-N 0 0 412.287 4.235 20 30 HIEDRN CC(C)(C)c1nc(CN2CCN(C(=O)c3cccc(SCC#N)c3)CC2)cs1 ZINC000430763229 858294674 /nfs/dbraw/zinc/29/46/74/858294674.db2.gz NLDJCHOCADMKAS-UHFFFAOYSA-N 0 0 414.600 4.014 20 30 HIEDRN Cc1nc(C(=O)N2C[C@H](C)C(=O)N(Cc3ccccc3)c3ccccc32)ccc1C#N ZINC000430837720 858324838 /nfs/dbraw/zinc/32/48/38/858324838.db2.gz MKFQNPKWWNVVKT-KRWDZBQOSA-N 0 0 410.477 4.091 20 30 HIEDRN C=CCN1C(=O)N(Cc2cccc(NC(=O)CC(C)C)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431012267 858403778 /nfs/dbraw/zinc/40/37/78/858403778.db2.gz FFFPZUVMUCUBQX-JOCHJYFZSA-N 0 0 419.525 4.233 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ncccc2OCC(F)(F)F)cc1 ZINC000437677202 863019860 /nfs/dbraw/zinc/01/98/60/863019860.db2.gz LNXWNHMEKCXBMR-UHFFFAOYSA-N 0 0 419.403 4.089 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)NCCOc2ccc(C#N)cc2)n(Cc2ccccc2)n1 ZINC000437678533 863020090 /nfs/dbraw/zinc/02/00/90/863020090.db2.gz XHTGDMQDFHMMFP-UHFFFAOYSA-N 0 0 417.513 4.301 20 30 HIEDRN COc1ccccc1-c1csc(C2CCN(C(=O)NCC3(CC#N)CC3)CC2)n1 ZINC000431051164 858419280 /nfs/dbraw/zinc/41/92/80/858419280.db2.gz YCDYTMFSMLMHTK-UHFFFAOYSA-N 0 0 410.543 4.402 20 30 HIEDRN COC(=O)c1cccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1Cl ZINC000431099344 858446284 /nfs/dbraw/zinc/44/62/84/858446284.db2.gz RBHGDXDKMBVMCV-UHFFFAOYSA-N 0 0 406.269 4.139 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000431179110 858489185 /nfs/dbraw/zinc/48/91/85/858489185.db2.gz LVFHPGMGDMDZJR-SUMWQHHRSA-N 0 0 416.934 4.330 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC000431186287 858493876 /nfs/dbraw/zinc/49/38/76/858493876.db2.gz FXUTXJPRUJKIGP-FUHWJXTLSA-N 0 0 414.303 4.043 20 30 HIEDRN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000431222196 858513911 /nfs/dbraw/zinc/51/39/11/858513911.db2.gz OFWZULWYWDQTDM-ZBFHGGJFSA-N 0 0 416.616 4.324 20 30 HIEDRN C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000431222194 858513939 /nfs/dbraw/zinc/51/39/39/858513939.db2.gz OFWZULWYWDQTDM-HOCLYGCPSA-N 0 0 416.616 4.324 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000431234756 858521858 /nfs/dbraw/zinc/52/18/58/858521858.db2.gz VXVOHFMGASUDSV-GGUMNFRJSA-N 0 0 406.482 4.149 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1ccncc1OCC(F)(F)F)c1ccccc1 ZINC000431305671 858555905 /nfs/dbraw/zinc/55/59/05/858555905.db2.gz CZZLLIAZKPZYOK-QGZVFWFLSA-N 0 0 406.408 4.257 20 30 HIEDRN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000431328806 858567828 /nfs/dbraw/zinc/56/78/28/858567828.db2.gz XTZXCZUDSNGXMB-AWEZNQCLSA-N 0 0 417.307 4.032 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2Cl)cc1 ZINC000431401616 858596761 /nfs/dbraw/zinc/59/67/61/858596761.db2.gz OZAXKOFOKNQBHK-LJQANCHMSA-N 0 0 424.888 4.279 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431415337 858604265 /nfs/dbraw/zinc/60/42/65/858604265.db2.gz ROOCQZYQZBKKCQ-OAHLLOKOSA-N 0 0 405.458 4.202 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1 ZINC000431443525 858618971 /nfs/dbraw/zinc/61/89/71/858618971.db2.gz FTRBIAJADLYHIB-UHFFFAOYSA-N 0 0 402.454 4.371 20 30 HIEDRN COc1ccc2c(c1)[C@@H](C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)CC2 ZINC000431472906 858633172 /nfs/dbraw/zinc/63/31/72/858633172.db2.gz SEVLKLYZNLNBJX-KRWDZBQOSA-N 0 0 422.535 4.379 20 30 HIEDRN CC1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc21 ZINC000431495339 858643704 /nfs/dbraw/zinc/64/37/04/858643704.db2.gz PLYTYSNQLRUYHP-QGZVFWFLSA-N 0 0 401.388 4.054 20 30 HIEDRN COc1ccc(Br)c(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431624846 858696058 /nfs/dbraw/zinc/69/60/58/858696058.db2.gz XRZHNGGROVKVED-QGZVFWFLSA-N 0 0 423.332 4.171 20 30 HIEDRN Cc1c(Br)cccc1S(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431636708 858703420 /nfs/dbraw/zinc/70/34/20/858703420.db2.gz WYRCFAPMSGCCKQ-QGZVFWFLSA-N 0 0 407.333 4.471 20 30 HIEDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000431642744 858707588 /nfs/dbraw/zinc/70/75/88/858707588.db2.gz HGHDSMFZPHCBAH-SFHVURJKSA-N 0 0 405.907 4.012 20 30 HIEDRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc1F ZINC000431852581 858839732 /nfs/dbraw/zinc/83/97/32/858839732.db2.gz XTVYVWXXEFSETN-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000431862533 858844158 /nfs/dbraw/zinc/84/41/58/858844158.db2.gz YKXUHOGBTYOHSS-QGZVFWFLSA-N 0 0 419.506 4.159 20 30 HIEDRN COc1ccc(C2(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)CCOCC2)cc1 ZINC000431865395 858845684 /nfs/dbraw/zinc/84/56/84/858845684.db2.gz PVOJVTGARXSFAT-QHCPKHFHSA-N 0 0 421.541 4.478 20 30 HIEDRN N#Cc1ccc(CC(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cc1 ZINC000431885608 858856053 /nfs/dbraw/zinc/85/60/53/858856053.db2.gz ZASMFJCVYZXPNE-UHFFFAOYSA-N 0 0 409.243 4.084 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)NCc3cccc4c3OCCCO4)c2)cc1 ZINC000431912735 858867434 /nfs/dbraw/zinc/86/74/34/858867434.db2.gz PSPPKFJRTPPXND-UHFFFAOYSA-N 0 0 414.461 4.229 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2C[C@H](OCc3ccccc3)C2(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000431953677 858885237 /nfs/dbraw/zinc/88/52/37/858885237.db2.gz VCUMACGPFNGAQX-ZLNRFVROSA-N 0 0 418.537 4.432 20 30 HIEDRN COc1ccc([C@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)c2ccc(C)cc2)cc1 ZINC000431953183 858885371 /nfs/dbraw/zinc/88/53/71/858885371.db2.gz MJYANCGEBFKAHF-HSZRJFAPSA-N 0 0 413.477 4.028 20 30 HIEDRN CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)c2ccccc2)cc1 ZINC000431964732 858892009 /nfs/dbraw/zinc/89/20/09/858892009.db2.gz NZGWAIYSNLYYSP-QHCPKHFHSA-N 0 0 413.477 4.110 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@]2(CCOC2)O1 ZINC000431971110 858894878 /nfs/dbraw/zinc/89/48/78/858894878.db2.gz FYIBORWVJASJBB-QHCPKHFHSA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@]2(CCOC2)O1 ZINC000431971645 858895466 /nfs/dbraw/zinc/89/54/66/858895466.db2.gz LBBAEKOXFVGRMF-CVDCTZTESA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000431972404 858895508 /nfs/dbraw/zinc/89/55/08/858895508.db2.gz WGNUDOGIAOYSCO-AUSIDOKSSA-N 0 0 407.470 4.152 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000431971244 858895573 /nfs/dbraw/zinc/89/55/73/858895573.db2.gz SQFDVYADLOGNGJ-HSZRJFAPSA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@]2(CCOC2)O1 ZINC000431987962 858906770 /nfs/dbraw/zinc/90/67/70/858906770.db2.gz RZLGODTZJYCFBN-DVECYGJZSA-N 0 0 421.497 4.461 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000431990241 858907717 /nfs/dbraw/zinc/90/77/17/858907717.db2.gz FBZBTFKXRORZGU-KRWDZBQOSA-N 0 0 418.497 4.097 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431994480 858911655 /nfs/dbraw/zinc/91/16/55/858911655.db2.gz WSBFPNGVPHLGTJ-UHFFFAOYSA-N 0 0 401.470 4.024 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cn3cccn3)on2)cc1Cl ZINC000432009444 858924014 /nfs/dbraw/zinc/92/40/14/858924014.db2.gz VTOCPFYVBYTZDN-LJQANCHMSA-N 0 0 417.856 4.481 20 30 HIEDRN CN1C(=O)N([C@@H](CCCC#N)c2ccccc2)C(=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000432034086 858942008 /nfs/dbraw/zinc/94/20/08/858942008.db2.gz QYWGCEWDWNMWGV-PKOBYXMFSA-N 0 0 401.388 4.474 20 30 HIEDRN N#Cc1cccc(NC(=O)C2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC000432045523 858948703 /nfs/dbraw/zinc/94/87/03/858948703.db2.gz IWTDLMMTCKEDLZ-UHFFFAOYSA-N 0 0 417.278 4.438 20 30 HIEDRN COc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)ccc1Br ZINC000432182920 859035050 /nfs/dbraw/zinc/03/50/50/859035050.db2.gz SIXDWSJCSVBQHH-UHFFFAOYSA-N 0 0 416.275 4.077 20 30 HIEDRN CC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000432188806 859037886 /nfs/dbraw/zinc/03/78/86/859037886.db2.gz YFCRTKNBMMPQHG-CYBMUJFWSA-N 0 0 424.448 4.410 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000432263099 859074473 /nfs/dbraw/zinc/07/44/73/859074473.db2.gz FKFAVPDDXNNXKF-QHCPKHFHSA-N 0 0 412.493 4.263 20 30 HIEDRN N#CCCCOc1cccc(N[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000432320926 859101926 /nfs/dbraw/zinc/10/19/26/859101926.db2.gz RPADGCLVGPUDLA-IBGZPJMESA-N 0 0 414.303 4.349 20 30 HIEDRN CCOC(=O)c1cnc2c(F)ccc(F)c2c1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000432336814 859107695 /nfs/dbraw/zinc/10/76/95/859107695.db2.gz QTNKPHMSYHWICH-LJQANCHMSA-N 0 0 423.419 4.139 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000432338159 859109221 /nfs/dbraw/zinc/10/92/21/859109221.db2.gz UZFKHYJLSPUIAL-LJQANCHMSA-N 0 0 407.367 4.226 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cnn(C(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000467563791 881385832 /nfs/dbraw/zinc/38/58/32/881385832.db2.gz BOVOAIMHKFTDSA-AWEZNQCLSA-N 0 0 416.350 4.059 20 30 HIEDRN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CSc1nc(N)c(C#N)cc1C#N ZINC000432387550 859138906 /nfs/dbraw/zinc/13/89/06/859138906.db2.gz NBAYKMGCMLKSRI-UHFFFAOYSA-N 0 0 408.918 4.215 20 30 HIEDRN Cc1c(NC(=O)c2cscc2C#N)cccc1C(=O)N1CCc2sccc2C1 ZINC000432404332 859147183 /nfs/dbraw/zinc/14/71/83/859147183.db2.gz DQVAYAAQPVXFFY-UHFFFAOYSA-N 0 0 407.520 4.441 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000467577935 881394021 /nfs/dbraw/zinc/39/40/21/881394021.db2.gz MPXNRGVYMFQHHH-MRXNPFEDSA-N 0 0 411.527 4.464 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000432452739 859169852 /nfs/dbraw/zinc/16/98/52/859169852.db2.gz DDEWAPGWDHIKCY-UHFFFAOYSA-N 0 0 407.489 4.434 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)NCC[C@H](c3ccccc3)C(F)(F)F)CCO2)c1 ZINC000432464176 859175709 /nfs/dbraw/zinc/17/57/09/859175709.db2.gz MDRJULPPCMPERT-UXHICEINSA-N 0 0 417.431 4.377 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432472665 859181319 /nfs/dbraw/zinc/18/13/19/859181319.db2.gz OZZQYHULIQVZHF-HXUWFJFHSA-N 0 0 419.447 4.452 20 30 HIEDRN CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000432475684 859182655 /nfs/dbraw/zinc/18/26/55/859182655.db2.gz KPCKSPOHWQVSRU-HNNXBMFYSA-N 0 0 404.426 4.003 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000432487546 859188619 /nfs/dbraw/zinc/18/86/19/859188619.db2.gz GMCHHJRDXOQWRS-UHFFFAOYSA-N 0 0 413.481 4.369 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000432487787 859189883 /nfs/dbraw/zinc/18/98/83/859189883.db2.gz GXXFSDIBWYYIIN-UHFFFAOYSA-N 0 0 407.861 4.145 20 30 HIEDRN Cn1cc(Nc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)cn1 ZINC000432493458 859191783 /nfs/dbraw/zinc/19/17/83/859191783.db2.gz BLGDQJCSGXXVPK-QGZVFWFLSA-N 0 0 400.269 4.465 20 30 HIEDRN Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1OCC(F)F ZINC000432497971 859194205 /nfs/dbraw/zinc/19/42/05/859194205.db2.gz TUWTXGFZYNDKCF-UHFFFAOYSA-N 0 0 401.413 4.258 20 30 HIEDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000432507168 859199874 /nfs/dbraw/zinc/19/98/74/859199874.db2.gz QJIHPUJIZSJTQW-HXUWFJFHSA-N 0 0 406.877 4.099 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000432536706 859214625 /nfs/dbraw/zinc/21/46/25/859214625.db2.gz DMESYDMWGBMOIQ-QZTJIDSGSA-N 0 0 402.420 4.124 20 30 HIEDRN CCOc1ccc([C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000432589949 859242512 /nfs/dbraw/zinc/24/25/12/859242512.db2.gz XQHKGAGRDGNEME-JOCHJYFZSA-N 0 0 405.498 4.429 20 30 HIEDRN Cc1nc(-c2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000432629469 859262689 /nfs/dbraw/zinc/26/26/89/859262689.db2.gz ALBDVHJINUCATH-SFHVURJKSA-N 0 0 405.483 4.070 20 30 HIEDRN Cc1c(F)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Br ZINC000432642055 859268292 /nfs/dbraw/zinc/26/82/92/859268292.db2.gz KRWQTSSQDSAHCP-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN N#C[C@H](NC(=O)c1cccc(OCC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000432697215 859301790 /nfs/dbraw/zinc/30/17/90/859301790.db2.gz QWLCTKTXJKZJFO-HNNXBMFYSA-N 0 0 413.193 4.385 20 30 HIEDRN COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)cc1OCCCC#N ZINC000432702737 859305348 /nfs/dbraw/zinc/30/53/48/859305348.db2.gz JDOQMORVNYLXCL-CAPFRKAQSA-N 0 0 401.466 4.244 20 30 HIEDRN C=CCN(CCC#N)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000432757392 859338226 /nfs/dbraw/zinc/33/82/26/859338226.db2.gz AYEYCNOXYUBWPH-UHFFFAOYSA-N 0 0 405.285 4.137 20 30 HIEDRN CC(C)OCc1cccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432760880 859340247 /nfs/dbraw/zinc/34/02/47/859340247.db2.gz PVJCMWRXWWCWGM-UHFFFAOYSA-N 0 0 409.305 4.047 20 30 HIEDRN CN(C)c1ccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 ZINC000432771559 859351752 /nfs/dbraw/zinc/35/17/52/859351752.db2.gz LMYALDGWAHHERX-UHFFFAOYSA-N 0 0 407.495 4.004 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1Br ZINC000432776371 859354892 /nfs/dbraw/zinc/35/48/92/859354892.db2.gz NLGNUDFUGDBBHW-UHFFFAOYSA-N 0 0 402.273 4.117 20 30 HIEDRN CC(C)(NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cc(C(F)(F)F)on1 ZINC000432802095 859367360 /nfs/dbraw/zinc/36/73/60/859367360.db2.gz BIRMSZKPKFLFBB-UHFFFAOYSA-N 0 0 404.295 4.223 20 30 HIEDRN Cc1csc(-c2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)n1 ZINC000432842108 859383968 /nfs/dbraw/zinc/38/39/68/859383968.db2.gz XDOGRMHMGAMTNB-SFHVURJKSA-N 0 0 405.483 4.070 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1 ZINC000432846739 859386586 /nfs/dbraw/zinc/38/65/86/859386586.db2.gz PWDSBNYSIVVNLI-UHFFFAOYSA-N 0 0 415.497 4.275 20 30 HIEDRN C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432873521 859401129 /nfs/dbraw/zinc/40/11/29/859401129.db2.gz BHMUHZYKSMJVAY-NSHDSACASA-N 0 0 413.724 4.356 20 30 HIEDRN O=S(=O)(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccccc1OC(F)(F)F ZINC000432967672 859454400 /nfs/dbraw/zinc/45/44/00/859454400.db2.gz ZOMXBBLXWSHCBZ-CYBMUJFWSA-N 0 0 417.302 4.148 20 30 HIEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000432987436 859464886 /nfs/dbraw/zinc/46/48/86/859464886.db2.gz YYHDJZYQBTWLFA-SNVBAGLBSA-N 0 0 410.261 4.084 20 30 HIEDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000432997408 859470579 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C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(CO)(c2ccccc2)CC1 ZINC000433133481 859534521 /nfs/dbraw/zinc/53/45/21/859534521.db2.gz ILJGMIUYIMCKJR-GOSISDBHSA-N 0 0 409.555 4.496 20 30 HIEDRN CC(C)COc1cccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000433198168 859563277 /nfs/dbraw/zinc/56/32/77/859563277.db2.gz WGSZILSRYXMFLC-UHFFFAOYSA-N 0 0 408.502 4.500 20 30 HIEDRN CCOc1cc(CN(C)C(=O)[C@@H](C#N)CCc2ccccc2)ccc1OC(F)F ZINC000433221102 859575045 /nfs/dbraw/zinc/57/50/45/859575045.db2.gz OSPBAIXHHWZSPV-GOSISDBHSA-N 0 0 402.441 4.418 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(CO)CC3(CCC3)C2)cc1 ZINC000433228974 859580189 /nfs/dbraw/zinc/58/01/89/859580189.db2.gz CLIBPGSWKJEVCU-UHFFFAOYSA-N 0 0 421.497 4.423 20 30 HIEDRN CN(C)c1nnc(-c2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)o1 ZINC000433258909 859597322 /nfs/dbraw/zinc/59/73/22/859597322.db2.gz HHTLZJWXMGHOFZ-LJQANCHMSA-N 0 0 404.474 4.359 20 30 HIEDRN CN(Cc1ccc(Br)cc1CN(C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433301793 859625397 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C=CCOc1ccccc1CN(C(=O)CC[C@H]1CCOC1)c1ccc2c(c1)OCO2 ZINC000433487119 859728601 /nfs/dbraw/zinc/72/86/01/859728601.db2.gz IGTKCZLZMJQBJL-SFHVURJKSA-N 0 0 409.482 4.330 20 30 HIEDRN CC(C)OC[C@H](CO)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000433498060 859735526 /nfs/dbraw/zinc/73/55/26/859735526.db2.gz TUOJPFSLFBKKSD-KRWDZBQOSA-N 0 0 417.893 4.254 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000433518733 859750173 /nfs/dbraw/zinc/75/01/73/859750173.db2.gz IGVMVIXZUVHQCT-LBPRGKRZSA-N 0 0 407.367 4.264 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c(F)c1 ZINC000433533101 859760531 /nfs/dbraw/zinc/76/05/31/859760531.db2.gz JSGUBRIUNINFPG-GOSISDBHSA-N 0 0 413.861 4.257 20 30 HIEDRN C[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1ccc(C#N)cc1 ZINC000433625630 859815742 /nfs/dbraw/zinc/81/57/42/859815742.db2.gz SBLJKLRYYZBNQA-QMMMGPOBSA-N 0 0 405.726 4.075 20 30 HIEDRN CC(C)(C)OC1CC(CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000433639912 859820404 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HIEDRN COc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1F ZINC000433994876 860025903 /nfs/dbraw/zinc/02/59/03/860025903.db2.gz QXILZXCUBNTTRW-INIZCTEOSA-N 0 0 408.351 4.197 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCN(c4ccccc4)C3)cc2)nc1 ZINC000434004833 860033005 /nfs/dbraw/zinc/03/30/05/860033005.db2.gz YORSBJGFIGGVTM-HXUWFJFHSA-N 0 0 412.493 4.392 20 30 HIEDRN CC1(C)CCCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)[C@@H]1C#N ZINC000434010199 860037348 /nfs/dbraw/zinc/03/73/48/860037348.db2.gz BUCYLCACVUHUBR-OAHLLOKOSA-N 0 0 406.255 4.398 20 30 HIEDRN C=CC[C@H](CC)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000467699011 881493494 /nfs/dbraw/zinc/49/34/94/881493494.db2.gz ZBIGBYIGUXVJAF-XJKSGUPXSA-N 0 0 403.375 4.316 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434029005 860050171 /nfs/dbraw/zinc/05/01/71/860050171.db2.gz AAKCAZWQILGHFH-GOSISDBHSA-N 0 0 416.477 4.402 20 30 HIEDRN CC1(C)CCCN(C(=O)c2cc(Br)sc2Br)[C@@H]1C#N ZINC000434031232 860052309 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CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1C#N ZINC000435557294 860877196 /nfs/dbraw/zinc/87/71/96/860877196.db2.gz QWXKWMJKILLQAT-UHFFFAOYSA-N 0 0 424.476 4.367 20 30 HIEDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000435558614 860878638 /nfs/dbraw/zinc/87/86/38/860878638.db2.gz FTBBCGDXVZIXAH-INIZCTEOSA-N 0 0 408.502 4.195 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c2ccccc21 ZINC000435565422 860886975 /nfs/dbraw/zinc/88/69/75/860886975.db2.gz KXVAQXLYEICFOU-UHFFFAOYSA-N 0 0 420.557 4.200 20 30 HIEDRN COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000467770622 881590785 /nfs/dbraw/zinc/59/07/85/881590785.db2.gz RLPVQUKDDJFITC-QGZVFWFLSA-N 0 0 408.502 4.018 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000435584215 860897133 /nfs/dbraw/zinc/89/71/33/860897133.db2.gz KNQAJXDCPLRQTM-KSFYIVLOSA-N 0 0 424.453 4.006 20 30 HIEDRN N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000435587008 860898008 /nfs/dbraw/zinc/89/80/08/860898008.db2.gz ZVBKJAYFBAFQFE-CZIWCDLHSA-N 0 0 412.408 4.082 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000435599049 860904152 /nfs/dbraw/zinc/90/41/52/860904152.db2.gz UUIHFEOYAAENBO-IBGZPJMESA-N 0 0 417.506 4.195 20 30 HIEDRN C=CCC[C@@H](NC(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000435614150 860917064 /nfs/dbraw/zinc/91/70/64/860917064.db2.gz DPZKWWGCASGUQA-HXUWFJFHSA-N 0 0 413.543 4.364 20 30 HIEDRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435635589 860928288 /nfs/dbraw/zinc/92/82/88/860928288.db2.gz GYUUJRJRQMMOBO-LJQANCHMSA-N 0 0 407.470 4.106 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(Oc2ccccc2)cc1 ZINC000435649279 860934044 /nfs/dbraw/zinc/93/40/44/860934044.db2.gz ZAJGITRJZVYHLU-HNNXBMFYSA-N 0 0 403.413 4.306 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000435650571 860934239 /nfs/dbraw/zinc/93/42/39/860934239.db2.gz JAKKGSFMXODROV-OAQYLSRUSA-N 0 0 421.859 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C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-n2nc(C)cc2C)c1)c1ccccc1 ZINC000435746802 861027897 /nfs/dbraw/zinc/02/78/97/861027897.db2.gz ZWRUVUVWARKBDB-JOCHJYFZSA-N 0 0 402.498 4.251 20 30 HIEDRN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)ccc1C#N ZINC000435762915 861041903 /nfs/dbraw/zinc/04/19/03/861041903.db2.gz UPLWSLCQYGAPSB-UHFFFAOYSA-N 0 0 404.451 4.035 20 30 HIEDRN COc1cc(O[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000435793578 861063873 /nfs/dbraw/zinc/06/38/73/861063873.db2.gz BNQDCLPAJJRONI-GOSISDBHSA-N 0 0 404.388 4.156 20 30 HIEDRN C=CCN(Cc1nc(-c2ccccc2)cs1)S(=O)(=O)c1ccc(OC)cc1 ZINC000435799768 861069789 /nfs/dbraw/zinc/06/97/89/861069789.db2.gz NHRMINXZIKPQIB-UHFFFAOYSA-N 0 0 400.525 4.196 20 30 HIEDRN C=CCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435829405 861093870 /nfs/dbraw/zinc/09/38/70/861093870.db2.gz XRBJZDWTYYRFHY-UHFFFAOYSA-N 0 0 405.501 4.171 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc1C#N ZINC000435840825 861103180 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CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000437897353 863269226 /nfs/dbraw/zinc/26/92/26/863269226.db2.gz CLHLYLIPDXORQD-XZOQPEGZSA-N 0 0 405.498 4.066 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000437911612 863289474 /nfs/dbraw/zinc/28/94/74/863289474.db2.gz BVGBBSJNRVOGFE-UHFFFAOYSA-N 0 0 408.458 4.471 20 30 HIEDRN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000437914570 863290615 /nfs/dbraw/zinc/29/06/15/863290615.db2.gz ZHDJGRUKLPFRLY-JTHBVZDNSA-N 0 0 404.514 4.135 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000437925373 863301117 /nfs/dbraw/zinc/30/11/17/863301117.db2.gz IOYFWARNRMIQFK-FGZHOGPDSA-N 0 0 402.498 4.226 20 30 HIEDRN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000437926100 863302833 /nfs/dbraw/zinc/30/28/33/863302833.db2.gz JRGUHKNXSLKJIT-XZOQPEGZSA-N 0 0 418.541 4.401 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000437932747 863308546 /nfs/dbraw/zinc/30/85/46/863308546.db2.gz MOUUBVKIUCJLHZ-UPVQGACJSA-N 0 0 412.574 4.471 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000437944759 863319725 /nfs/dbraw/zinc/31/97/25/863319725.db2.gz ZEDACZRYWRLDKX-FXAWDEMLSA-N 0 0 412.896 4.129 20 30 HIEDRN CC(C)[C@@H](CCO)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437966955 863337848 /nfs/dbraw/zinc/33/78/48/863337848.db2.gz XTDATHASODHQJV-LJQANCHMSA-N 0 0 401.894 4.319 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC000437996556 863358925 /nfs/dbraw/zinc/35/89/25/863358925.db2.gz SUDONMQLJLBZIS-DENIHFKCSA-N 0 0 422.529 4.419 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000438000819 863362385 /nfs/dbraw/zinc/36/23/85/863362385.db2.gz QEWCGBAEQXSZNY-RXVVDRJESA-N 0 0 408.502 4.111 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000438011795 863371922 /nfs/dbraw/zinc/37/19/22/863371922.db2.gz 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ZINC000438323708 863801416 /nfs/dbraw/zinc/80/14/16/863801416.db2.gz CXQRKWKQXGEQFE-IBGZPJMESA-N 0 0 414.296 5.015 20 30 HIEDRN CO[C@@H](C)c1nc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)cs1 ZINC000438402400 863850162 /nfs/dbraw/zinc/85/01/62/863850162.db2.gz WXZYZFHTIDQAHB-INIZCTEOSA-N 0 0 423.542 4.175 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1csc([C@H](C)OC)n1 ZINC000438412258 863853698 /nfs/dbraw/zinc/85/36/98/863853698.db2.gz PVVAMNXFVPMDPQ-NSHDSACASA-N 0 0 400.422 4.364 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000438454911 863878531 /nfs/dbraw/zinc/87/85/31/863878531.db2.gz MDQSWUPHQGBYDU-JTAQYXEDSA-N 0 0 416.562 4.182 20 30 HIEDRN Cc1c(CSC(C)C)cccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000438463494 863886508 /nfs/dbraw/zinc/88/65/08/863886508.db2.gz UBPMRTQUQTVEBZ-UHFFFAOYSA-N 0 0 409.559 4.257 20 30 HIEDRN COC(=O)C(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000438478351 863895334 /nfs/dbraw/zinc/89/53/34/863895334.db2.gz OCOPHIRUPYQCIV-LEWJYISDSA-N 0 0 405.498 4.441 20 30 HIEDRN CC(C)c1cnc(-c2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)o1 ZINC000438500748 863921404 /nfs/dbraw/zinc/92/14/04/863921404.db2.gz IOXZXMKOVVLOFN-UHFFFAOYSA-N 0 0 416.485 4.086 20 30 HIEDRN CC(C)c1nnc2ccc(NC(=O)c3occc3COc3cccc(C#N)c3)cn21 ZINC000438504415 863924593 /nfs/dbraw/zinc/92/45/93/863924593.db2.gz WLGSDKVCFJNAOF-UHFFFAOYSA-N 0 0 401.426 4.149 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC[C@@H](O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000438520468 863947065 /nfs/dbraw/zinc/94/70/65/863947065.db2.gz WEWLNSQXHQRVNC-MRXNPFEDSA-N 0 0 405.376 4.358 20 30 HIEDRN Cc1cc(NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)ccc1C(F)(F)F ZINC000438541345 863967876 /nfs/dbraw/zinc/96/78/76/863967876.db2.gz QOLYSVZKDIRMBK-UHFFFAOYSA-N 0 0 401.326 4.064 20 30 HIEDRN C=CCN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000438554002 863984270 /nfs/dbraw/zinc/98/42/70/863984270.db2.gz MYJYPESWBQGHBU-AWEZNQCLSA-N 0 0 411.535 4.197 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2cnc(Cc3ccccc3)s2)CC1 ZINC000438605102 864030796 /nfs/dbraw/zinc/03/07/96/864030796.db2.gz IDTHQOFRAMRWQM-UHFFFAOYSA-N 0 0 418.522 4.121 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 ZINC000438607519 864033567 /nfs/dbraw/zinc/03/35/67/864033567.db2.gz URTDLWVGXREOHP-IQWMQGJTSA-N 0 0 419.525 4.460 20 30 HIEDRN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000438613192 864038278 /nfs/dbraw/zinc/03/82/78/864038278.db2.gz RHIBKWWFVWACIH-YVTLWAIASA-N 0 0 405.498 4.280 20 30 HIEDRN CC(C)(Oc1cccc(Cl)c1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000438613423 864039027 /nfs/dbraw/zinc/03/90/27/864039027.db2.gz RSPNKAQCOCYKOH-UHFFFAOYSA-N 0 0 413.905 4.270 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000438617036 864042696 /nfs/dbraw/zinc/04/26/96/864042696.db2.gz XXKJHVHKVCQEON-JUGJUICUSA-N 0 0 401.510 4.054 20 30 HIEDRN C[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cn(C)c2ccccc12 ZINC000438619281 864043763 /nfs/dbraw/zinc/04/37/63/864043763.db2.gz JXRQZWLHRLYLLH-IVMQYODDSA-N 0 0 402.498 4.055 20 30 HIEDRN C[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cn(C)c2ccccc12 ZINC000438619271 864043856 /nfs/dbraw/zinc/04/38/56/864043856.db2.gz JXRQZWLHRLYLLH-IPJUCJBFSA-N 0 0 402.498 4.055 20 30 HIEDRN Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(Br)c1 ZINC000438620084 864045328 /nfs/dbraw/zinc/04/53/28/864045328.db2.gz FXHIHDNQJDVPRJ-UHFFFAOYSA-N 0 0 414.303 4.144 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000438628630 864058083 /nfs/dbraw/zinc/05/80/83/864058083.db2.gz MESZJLBTBRBDGM-UHFFFAOYSA-N 0 0 404.495 4.197 20 30 HIEDRN CCCCCNC(=O)C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438640048 864074581 /nfs/dbraw/zinc/07/45/81/864074581.db2.gz FJFSBRSTZUKUHM-UHFFFAOYSA-N 0 0 410.440 4.127 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1C(F)(F)F ZINC000438641849 864078441 /nfs/dbraw/zinc/07/84/41/864078441.db2.gz OIPYCRAIJIXXGH-GOSISDBHSA-N 0 0 416.403 4.062 20 30 HIEDRN CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438643093 864080086 /nfs/dbraw/zinc/08/00/86/864080086.db2.gz DEBRUHUDEGRXFV-UHFFFAOYSA-N 0 0 410.440 4.079 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1C(F)(F)F ZINC000438651468 864092728 /nfs/dbraw/zinc/09/27/28/864092728.db2.gz NDNMEQMFODVHBR-CYBMUJFWSA-N 0 0 422.794 4.157 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1C(F)(F)F ZINC000438652417 864093898 /nfs/dbraw/zinc/09/38/98/864093898.db2.gz PBXIQBCXNAOVQB-UHFFFAOYSA-N 0 0 422.451 4.224 20 30 HIEDRN COC(=O)[C@@H]1CC12CCN(C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)CC2 ZINC000438659029 864106738 /nfs/dbraw/zinc/10/67/38/864106738.db2.gz DFIOXNAGYRTTOQ-KRWDZBQOSA-N 0 0 423.444 4.297 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)c1 ZINC000438666647 864121005 /nfs/dbraw/zinc/12/10/05/864121005.db2.gz RFIBBUDVMKRYKK-UHFFFAOYSA-N 0 0 424.478 4.220 20 30 HIEDRN Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438668303 864124010 /nfs/dbraw/zinc/12/40/10/864124010.db2.gz XLHMWQFQMUCSFS-GOSISDBHSA-N 0 0 405.433 4.422 20 30 HIEDRN Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438668304 864124360 /nfs/dbraw/zinc/12/43/60/864124360.db2.gz XLHMWQFQMUCSFS-SFHVURJKSA-N 0 0 405.433 4.422 20 30 HIEDRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000438669308 864127655 /nfs/dbraw/zinc/12/76/55/864127655.db2.gz IHVUXZNACGHEOQ-WBVHZDCISA-N 0 0 424.476 4.258 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2ccc(F)cc2OC(F)F)cc(OC)c1OC ZINC000438689127 864154386 /nfs/dbraw/zinc/15/43/86/864154386.db2.gz YSYZCPQFXMKPSK-UHFFFAOYSA-N 0 0 410.392 4.495 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)c2nn(CC)c3ccccc3c2=O)C(C)(C)C)cc1 ZINC000467874309 881733840 /nfs/dbraw/zinc/73/38/40/881733840.db2.gz GUWFSDKIXPZIME-UHFFFAOYSA-N 0 0 419.525 4.422 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2ccn(CC(=O)N(C)C)c2c1 ZINC000438698742 864169313 /nfs/dbraw/zinc/16/93/13/864169313.db2.gz NTQDMFGRXGELBS-UHFFFAOYSA-N 0 0 417.513 4.045 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCc3c(F)ccc(F)c3C2)ccc1OCC(F)(F)F ZINC000438698924 864169372 /nfs/dbraw/zinc/16/93/72/864169372.db2.gz UBBYZFVPWAOWEM-UHFFFAOYSA-N 0 0 411.330 4.368 20 30 HIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)c2)C1 ZINC000438720217 864202271 /nfs/dbraw/zinc/20/22/71/864202271.db2.gz GIDZFJJVMVUTQQ-FOIQADDNSA-N 0 0 409.461 4.370 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000438723724 864206887 /nfs/dbraw/zinc/20/68/87/864206887.db2.gz MMFIVPYMSYWVEG-UHFFFAOYSA-N 0 0 421.444 4.048 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438729100 864212356 /nfs/dbraw/zinc/21/23/56/864212356.db2.gz AIRZLVWCGMDNTH-WSOZGMELSA-N 0 0 423.538 4.089 20 30 HIEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000438738358 864224879 /nfs/dbraw/zinc/22/48/79/864224879.db2.gz VNCXOYWNLDENNP-UHFFFAOYSA-N 0 0 420.494 4.068 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)c2ccnc(N3CCCCC3)n2)C(C)(C)C)cc1 ZINC000467886160 881746273 /nfs/dbraw/zinc/74/62/73/881746273.db2.gz NASUNZMKKMGROH-UHFFFAOYSA-N 0 0 408.546 4.473 20 30 HIEDRN CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000467884050 881746482 /nfs/dbraw/zinc/74/64/82/881746482.db2.gz WWVLSHUOLZBZJQ-UHFFFAOYSA-N 0 0 421.884 4.407 20 30 HIEDRN CC(C)CCOc1cccc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000438783379 864276453 /nfs/dbraw/zinc/27/64/53/864276453.db2.gz PLNDJSUOCSXPDM-UHFFFAOYSA-N 0 0 409.486 4.348 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1)c1ccccc1 ZINC000438840651 864334931 /nfs/dbraw/zinc/33/49/31/864334931.db2.gz NSECJOHLOYDLQA-RBBKRZOGSA-N 0 0 402.498 4.189 20 30 HIEDRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000438842640 864336171 /nfs/dbraw/zinc/33/61/71/864336171.db2.gz PXVFXVRWTBIUGB-MOPGFXCFSA-N 0 0 412.921 4.272 20 30 HIEDRN CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000438844523 864338426 /nfs/dbraw/zinc/33/84/26/864338426.db2.gz XBJYWXMAFHEZJN-VXNXHJTFSA-N 0 0 420.557 4.010 20 30 HIEDRN N#CCC[C@H](NC(=O)NCc1nccn1CCCc1ccccc1)c1ccccc1 ZINC000438854440 864348053 /nfs/dbraw/zinc/34/80/53/864348053.db2.gz WMCURNJFNWFYOA-QFIPXVFZSA-N 0 0 401.514 4.360 20 30 HIEDRN Cc1cc(C)c(C#N)c(SC[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000438857791 864351458 /nfs/dbraw/zinc/35/14/58/864351458.db2.gz NFMBYFJDYLVLDM-AWEZNQCLSA-N 0 0 411.296 4.004 20 30 HIEDRN COc1ccc(CN(C)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1OC(F)F ZINC000438856654 864351615 /nfs/dbraw/zinc/35/16/15/864351615.db2.gz LEOIQSAJTUNSDN-KRWDZBQOSA-N 0 0 403.429 4.483 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000438859012 864353448 /nfs/dbraw/zinc/35/34/48/864353448.db2.gz OWGIBXXKKIITRT-REHUZNOOSA-N 0 0 420.557 4.140 20 30 HIEDRN Cc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)c(OC[C@@H]2CCOC2)c1 ZINC000438863181 864355786 /nfs/dbraw/zinc/35/57/86/864355786.db2.gz VMLCIEVBCJMQQW-DENIHFKCSA-N 0 0 407.514 4.255 20 30 HIEDRN N#CC1(NC(=O)CSCc2csc(-c3ccc(Br)cc3)n2)CCC1 ZINC000438866875 864360668 /nfs/dbraw/zinc/36/06/68/864360668.db2.gz WGQWFQSGVHEJEU-UHFFFAOYSA-N 0 0 422.373 4.368 20 30 HIEDRN Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)C(=O)N[C@H](C)CC#N ZINC000438875957 864365728 /nfs/dbraw/zinc/36/57/28/864365728.db2.gz RRWXXBQLUXGZQC-OAHLLOKOSA-N 0 0 421.476 4.089 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)OC)c2ccccc2C)nnc1-c1cccc(OC)c1 ZINC000438898114 864379933 /nfs/dbraw/zinc/37/99/33/864379933.db2.gz SFZUNSKBJIXGND-IBGZPJMESA-N 0 0 409.511 4.455 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)NCc1cccc(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000438908377 864388009 /nfs/dbraw/zinc/38/80/09/864388009.db2.gz UWIPAZCMYVCRIE-UHFFFAOYSA-N 0 0 408.461 4.229 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1cc(Br)cn1C ZINC000467898649 881759263 /nfs/dbraw/zinc/75/92/63/881759263.db2.gz KNLVUKDYJJSSNO-UHFFFAOYSA-N 0 0 405.296 4.110 20 30 HIEDRN COc1ccc2c(c1)CCN(C(=O)c1cccc(COc3ccc(C#N)cc3)c1)CC2 ZINC000438937061 864413673 /nfs/dbraw/zinc/41/36/73/864413673.db2.gz XCGFNKVAZISLKC-UHFFFAOYSA-N 0 0 412.489 4.387 20 30 HIEDRN CC(C)c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000438941599 864416436 /nfs/dbraw/zinc/41/64/36/864416436.db2.gz GAPVOFHPAYZKQN-MRXNPFEDSA-N 0 0 402.248 4.475 20 30 HIEDRN N#CCCn1cc(C(=O)Nc2ccc3ccoc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467903782 881767072 /nfs/dbraw/zinc/76/70/72/881767072.db2.gz JQLQXQKONDPROF-UHFFFAOYSA-N 0 0 401.382 4.370 20 30 HIEDRN N#Cc1cccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000439040659 864495259 /nfs/dbraw/zinc/49/52/59/864495259.db2.gz FTVUTOIACPBCOI-UHFFFAOYSA-N 0 0 400.463 4.433 20 30 HIEDRN CCCc1c(N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cnn1-c1cccc(C#N)c1 ZINC000439057061 864506992 /nfs/dbraw/zinc/50/69/92/864506992.db2.gz PQBWFQLCCNZRKQ-MRXNPFEDSA-N 0 0 423.542 4.241 20 30 HIEDRN COc1cc([C@H](C)NC(=O)c2ccc(C#N)cc2C)ccc1OCc1ccncc1 ZINC000439066074 864516334 /nfs/dbraw/zinc/51/63/34/864516334.db2.gz KOPOBSJISGTTOC-KRWDZBQOSA-N 0 0 401.466 4.340 20 30 HIEDRN N#Cc1cccc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 ZINC000439066164 864519490 /nfs/dbraw/zinc/51/94/90/864519490.db2.gz QMESKPRNKGQEQY-IBGZPJMESA-N 0 0 422.485 4.110 20 30 HIEDRN CCOC(=O)c1csc(N(C(=O)c2cc(C#N)oc2C)c2ccc(OC)cc2)n1 ZINC000439086747 864533580 /nfs/dbraw/zinc/53/35/80/864533580.db2.gz BQZCUWJRASVODI-UHFFFAOYSA-N 0 0 411.439 4.080 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000439088932 864535943 /nfs/dbraw/zinc/53/59/43/864535943.db2.gz TUHHTXMVLUFKLZ-UHFFFAOYSA-N 0 0 413.231 4.402 20 30 HIEDRN C=CCC[C@H](NC(=O)N1C[C@H](COC)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000439131018 864565584 /nfs/dbraw/zinc/56/55/84/864565584.db2.gz LKMKLFNAKDFANO-QGTPRVQTSA-N 0 0 400.441 4.158 20 30 HIEDRN CCN(CCC#N)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000439134067 864566921 /nfs/dbraw/zinc/56/69/21/864566921.db2.gz LHKQWVMFPJMZGZ-UHFFFAOYSA-N 0 0 414.303 4.386 20 30 HIEDRN COc1cc(NC(=O)c2cc(C#N)oc2C)c(Br)cc1Br ZINC000439138262 864571135 /nfs/dbraw/zinc/57/11/35/864571135.db2.gz VENXODVWKIVDTQ-UHFFFAOYSA-N 0 0 414.053 4.246 20 30 HIEDRN CCN(CCC#N)C(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000439139318 864572230 /nfs/dbraw/zinc/57/22/30/864572230.db2.gz YDOLNHMDYFXGLY-UHFFFAOYSA-N 0 0 400.276 4.077 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C(C)(C)c1ccccc1 ZINC000439167048 864596789 /nfs/dbraw/zinc/59/67/89/864596789.db2.gz LJLVCZWIPKJMAI-HNNXBMFYSA-N 0 0 418.522 4.103 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1Cl ZINC000467917233 881786745 /nfs/dbraw/zinc/78/67/45/881786745.db2.gz CNHPLCACDOALDV-MJGOQNOKSA-N 0 0 405.889 4.398 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000439227739 864645510 /nfs/dbraw/zinc/64/55/10/864645510.db2.gz ZKYHORJGCKOJPS-INIZCTEOSA-N 0 0 423.538 4.164 20 30 HIEDRN COC[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@@H](C)O1 ZINC000439231816 864648068 /nfs/dbraw/zinc/64/80/68/864648068.db2.gz WHKKMTDNKOBRTO-MOXGXCLJSA-N 0 0 413.905 4.263 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000439301940 864729614 /nfs/dbraw/zinc/72/96/14/864729614.db2.gz AZMWISNXDPPNEY-XQBPLPMBSA-N 0 0 406.530 4.462 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N2CCc3c(F)ccc(F)c3C2)CC1 ZINC000439310160 864741646 /nfs/dbraw/zinc/74/16/46/864741646.db2.gz OZWYAHOWGWMEEY-UHFFFAOYSA-N 0 0 411.452 4.294 20 30 HIEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000439318419 864754371 /nfs/dbraw/zinc/75/43/71/864754371.db2.gz MPEAKDLCTFKYGG-UHFFFAOYSA-N 0 0 422.872 4.095 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)cc1F ZINC000439325428 864762115 /nfs/dbraw/zinc/76/21/15/864762115.db2.gz ZWMAYXQXRBWYSP-UHFFFAOYSA-N 0 0 421.403 4.301 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1OCC(F)(F)F ZINC000439345346 864783943 /nfs/dbraw/zinc/78/39/43/864783943.db2.gz XEEYFDFUNCXFBV-ZACQAIPSSA-N 0 0 411.424 4.047 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(OCc3cscn3)c2)c1 ZINC000439350340 864792023 /nfs/dbraw/zinc/79/20/23/864792023.db2.gz MSZQPRQUSZFJHU-UHFFFAOYSA-N 0 0 423.494 4.254 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1 ZINC000439349909 864792601 /nfs/dbraw/zinc/79/26/01/864792601.db2.gz MVHSUYSPDOTLGL-UHFFFAOYSA-N 0 0 424.497 4.085 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000439355963 864799367 /nfs/dbraw/zinc/79/93/67/864799367.db2.gz UDNOVKZPRFZYTR-UHFFFAOYSA-N 0 0 403.438 4.406 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H](CO)CC3CCCC3)c2)c1 ZINC000439357540 864800662 /nfs/dbraw/zinc/80/06/62/864800662.db2.gz LEHOFIAJCKJPJW-LJQANCHMSA-N 0 0 420.513 4.121 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(Cl)c2Cl)C1=O ZINC000439368138 864804888 /nfs/dbraw/zinc/80/48/88/864804888.db2.gz YIRRMJHTLBNJQH-LLVKDONJSA-N 0 0 421.122 4.007 20 30 HIEDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000439369461 864805713 /nfs/dbraw/zinc/80/57/13/864805713.db2.gz GXSUXSIRZDJWFY-GAJHUEQPSA-N 0 0 405.546 4.335 20 30 HIEDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439392445 864816419 /nfs/dbraw/zinc/81/64/19/864816419.db2.gz AJNLVPCCTMSUNH-AOMKIAJQSA-N 0 0 409.509 4.165 20 30 HIEDRN N#CCC[C@H](NC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000439394021 864816974 /nfs/dbraw/zinc/81/69/74/864816974.db2.gz GZBJJSOSHBCYJH-SFTDATJTSA-N 0 0 421.501 4.154 20 30 HIEDRN Cn1cc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c(C(F)(F)F)n1 ZINC000439397854 864818269 /nfs/dbraw/zinc/81/82/69/864818269.db2.gz RFCYJFIZWSRVFX-UHFFFAOYSA-N 0 0 415.375 4.425 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[C@H](O)C3)s2)c(C(F)(F)F)c1 ZINC000439424795 864827698 /nfs/dbraw/zinc/82/76/98/864827698.db2.gz VPUHZYZKRWAVNS-KBPBESRZSA-N 0 0 409.433 4.114 20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000439426857 864828602 /nfs/dbraw/zinc/82/86/02/864828602.db2.gz COIOKNCMIVGNMG-UHFFFAOYSA-N 0 0 407.823 4.188 20 30 HIEDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439430731 864829377 /nfs/dbraw/zinc/82/93/77/864829377.db2.gz KCARJBATAVPSKN-HNNXBMFYSA-N 0 0 404.967 4.083 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccc(C#N)cc1Cl ZINC000439435679 864830500 /nfs/dbraw/zinc/83/05/00/864830500.db2.gz FBKDXCCTOVEFKV-UHFFFAOYSA-N 0 0 406.711 4.353 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)C1=O ZINC000439435653 864830730 /nfs/dbraw/zinc/83/07/30/864830730.db2.gz FWLOWPLAZXXLAN-GOSISDBHSA-N 0 0 401.413 4.008 20 30 HIEDRN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439438679 864831289 /nfs/dbraw/zinc/83/12/89/864831289.db2.gz MNWUJQSQXIUZMC-INIZCTEOSA-N 0 0 407.905 4.140 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccccc1 ZINC000439442494 864832959 /nfs/dbraw/zinc/83/29/59/864832959.db2.gz UXUNIIXDILGTOU-QGZVFWFLSA-N 0 0 404.495 4.273 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccccc1 ZINC000439447253 864835027 /nfs/dbraw/zinc/83/50/27/864835027.db2.gz FVQKGTVTYYUWIY-JOCHJYFZSA-N 0 0 424.460 4.450 20 30 HIEDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000439481509 864847648 /nfs/dbraw/zinc/84/76/48/864847648.db2.gz IPQOEIRZNVRQGK-GAJHUEQPSA-N 0 0 405.546 4.335 20 30 HIEDRN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487791 864849386 /nfs/dbraw/zinc/84/93/86/864849386.db2.gz VYOVVFNIHLDJFY-KSFYIVLOSA-N 0 0 409.509 4.165 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 ZINC000439488691 864849769 /nfs/dbraw/zinc/84/97/69/864849769.db2.gz AAWOLKHHYVTUEZ-LJQANCHMSA-N 0 0 407.514 4.303 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000439490594 864850473 /nfs/dbraw/zinc/85/04/73/864850473.db2.gz GQIFNXXWNOEPFJ-JMBSJVKXSA-N 0 0 403.526 4.275 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000439500837 864854690 /nfs/dbraw/zinc/85/46/90/864854690.db2.gz MWDKRGKIUQTEJS-FUHIMQAGSA-N 0 0 422.554 4.249 20 30 HIEDRN COc1cccc(CNC(=O)[C@@H](C)SCc2ccc(C#N)cc2OC(F)F)c1 ZINC000439531654 864866695 /nfs/dbraw/zinc/86/66/95/864866695.db2.gz RBXPNXFETYPCPD-CYBMUJFWSA-N 0 0 406.454 4.106 20 30 HIEDRN COc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)c1 ZINC000439538455 864869185 /nfs/dbraw/zinc/86/91/85/864869185.db2.gz AROIYLWYCKNMOI-UHFFFAOYSA-N 0 0 415.449 4.032 20 30 HIEDRN COc1ccc(OC)c(NC(=O)[C@H](C)SCc2ccc(C#N)cc2OC(F)F)c1 ZINC000439542793 864871756 /nfs/dbraw/zinc/87/17/56/864871756.db2.gz BSMINOGUUNHACJ-LBPRGKRZSA-N 0 0 422.453 4.437 20 30 HIEDRN C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000439547648 864875019 /nfs/dbraw/zinc/87/50/19/864875019.db2.gz HSGOBINHSMGVFW-HZPDHXFCSA-N 0 0 406.486 4.418 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c(F)c1 ZINC000439547369 864875243 /nfs/dbraw/zinc/87/52/43/864875243.db2.gz XEYKLPFATMGYRQ-UHFFFAOYSA-N 0 0 417.440 4.470 20 30 HIEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000439557153 864883031 /nfs/dbraw/zinc/88/30/31/864883031.db2.gz QGVUBBSVQSIPFT-AWEZNQCLSA-N 0 0 405.376 4.245 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000439561839 864886861 /nfs/dbraw/zinc/88/68/61/864886861.db2.gz PHHKVHQEQFMMCG-CYBMUJFWSA-N 0 0 405.376 4.245 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000439561622 864886863 /nfs/dbraw/zinc/88/68/63/864886863.db2.gz OLWBEVJIXVOTAI-UHFFFAOYSA-N 0 0 423.557 4.011 20 30 HIEDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N[C@H](CC)CC#N)c(C(F)(F)F)c1 ZINC000439562470 864887647 /nfs/dbraw/zinc/88/76/47/864887647.db2.gz SKMXFNDCQKMYIU-VXGBXAGGSA-N 0 0 401.454 4.343 20 30 HIEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000439562526 864887754 /nfs/dbraw/zinc/88/77/54/864887754.db2.gz RVOPKGCEGOYLII-INIZCTEOSA-N 0 0 419.403 4.031 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000439580951 864902084 /nfs/dbraw/zinc/90/20/84/864902084.db2.gz KPIRXDKAQGLTOX-IAGOWNOFSA-N 0 0 409.452 4.480 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000439592130 864916161 /nfs/dbraw/zinc/91/61/61/864916161.db2.gz GEKWFZTUURCCMM-UHFFFAOYSA-N 0 0 411.477 4.132 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000439596262 864917415 /nfs/dbraw/zinc/91/74/15/864917415.db2.gz LNNBOPQKUWPWNO-UHFFFAOYSA-N 0 0 408.502 4.299 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000439594555 864918139 /nfs/dbraw/zinc/91/81/39/864918139.db2.gz JVDGHCRMIULOHI-UHFFFAOYSA-N 0 0 414.893 4.254 20 30 HIEDRN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1 ZINC000439641149 864968025 /nfs/dbraw/zinc/96/80/25/864968025.db2.gz FHIHEOZWJOFSCS-LJQANCHMSA-N 0 0 417.490 4.201 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1ccccc1 ZINC000439651734 864978294 /nfs/dbraw/zinc/97/82/94/864978294.db2.gz GRDYYOPGBKLDQM-LJQANCHMSA-N 0 0 409.287 4.410 20 30 HIEDRN Cc1nc(SCC(=O)Nc2ccccc2-c2nncn2C(C)C)c(C#N)c(C)c1C ZINC000439658771 864986276 /nfs/dbraw/zinc/98/62/76/864986276.db2.gz BNABXHIVMDGEEU-UHFFFAOYSA-N 0 0 420.542 4.449 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC000439665821 864996021 /nfs/dbraw/zinc/99/60/21/864996021.db2.gz SQLDKOHECIZLJZ-UHFFFAOYSA-N 0 0 420.429 4.257 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](CCOC)Cc2ccco2)cnn1-c1cccc(C#N)c1 ZINC000439668215 864998625 /nfs/dbraw/zinc/99/86/25/864998625.db2.gz AMBXKTNQUDWAAB-SFHVURJKSA-N 0 0 421.501 4.059 20 30 HIEDRN CCCc1c(NC(=O)NCCc2ccc(OC)c(F)c2)cnn1-c1cccc(C#N)c1 ZINC000439668171 864998761 /nfs/dbraw/zinc/99/87/61/864998761.db2.gz DKFWCHPVJVMWIY-UHFFFAOYSA-N 0 0 421.476 4.208 20 30 HIEDRN CCCc1c(NC(=O)NCc2cccc(OC)c2OC)cnn1-c1cccc(C#N)c1 ZINC000439671850 865005194 /nfs/dbraw/zinc/00/51/94/865005194.db2.gz PZRFHCLIDIZYBR-UHFFFAOYSA-N 0 0 419.485 4.035 20 30 HIEDRN Cc1oc2ccccc2c1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000467967439 881825977 /nfs/dbraw/zinc/82/59/77/881825977.db2.gz DXEHMEVPXBTIET-CQSZACIVSA-N 0 0 407.495 4.390 20 30 HIEDRN Cc1ccc(I)cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439675661 865009414 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COC(=O)[C@H](C)[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1 ZINC000444284376 868713810 /nfs/dbraw/zinc/71/38/10/868713810.db2.gz TTZJTYJHEMDVLY-VGOFRKELSA-N 0 0 403.482 4.225 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000468296483 882221639 /nfs/dbraw/zinc/22/16/39/882221639.db2.gz FEMQLKCUPMSNJB-SFHVURJKSA-N 0 0 418.497 4.065 20 30 HIEDRN CCCOc1ccc(C(=O)CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000444328934 868754917 /nfs/dbraw/zinc/75/49/17/868754917.db2.gz UOCVBWWDHATOHC-UHFFFAOYSA-N 0 0 403.482 4.347 20 30 HIEDRN N#CCCCn1cc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c2ccccc21 ZINC000444337246 868764557 /nfs/dbraw/zinc/76/45/57/868764557.db2.gz PRJDHMHTZVOXBH-UHFFFAOYSA-N 0 0 408.465 4.137 20 30 HIEDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000444339617 868767490 /nfs/dbraw/zinc/76/74/90/868767490.db2.gz JTAJGANFHUXNIP-KRWDZBQOSA-N 0 0 419.554 4.346 20 30 HIEDRN COc1cccc(C(=O)c2ccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)cc2)c1 ZINC000444346078 868776554 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N#CC(CCN1CCN(c2ncccc2F)CC1)(c1ccccc1)c1ccccc1 ZINC000444682853 868956610 /nfs/dbraw/zinc/95/66/10/868956610.db2.gz VUIWONWTEYVEIF-UHFFFAOYSA-N 0 0 400.501 4.243 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444692692 868961768 /nfs/dbraw/zinc/96/17/68/868961768.db2.gz MOGQVHFHJLUUSB-UHFFFAOYSA-N 0 0 400.473 4.440 20 30 HIEDRN CN(CC(F)(F)F)C(=O)CN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444741582 868984795 /nfs/dbraw/zinc/98/47/95/868984795.db2.gz HTDMVXRPRCOCQJ-LLVKDONJSA-N 0 0 410.280 4.309 20 30 HIEDRN COc1ccc(C2(NC(=O)Nc3ccc(C#N)c(Cl)c3)CCOCC2)cc1F ZINC000444820484 869029634 /nfs/dbraw/zinc/02/96/34/869029634.db2.gz VZYRXCNDLHMLLT-UHFFFAOYSA-N 0 0 403.841 4.187 20 30 HIEDRN COCCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000444826090 869035254 /nfs/dbraw/zinc/03/52/54/869035254.db2.gz MHTGJZGBXKNURC-SFHVURJKSA-N 0 0 415.877 4.273 20 30 HIEDRN N#Cc1cccc(NC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC000444841311 869046919 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N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000448432494 872379413 /nfs/dbraw/zinc/37/94/13/872379413.db2.gz XEGQNUZCUQRKTM-UHFFFAOYSA-N 0 0 416.428 4.862 20 30 HIEDRN CCCC1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCC1 ZINC000468560077 882612831 /nfs/dbraw/zinc/61/28/31/882612831.db2.gz MESFGZYQVWRGOF-UHFFFAOYSA-N 0 0 421.497 4.384 20 30 HIEDRN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000448478623 872462203 /nfs/dbraw/zinc/46/22/03/872462203.db2.gz OSHKKNJKAYUUIF-UHFFFAOYSA-N 0 0 401.388 4.108 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1 ZINC000448534979 872532037 /nfs/dbraw/zinc/53/20/37/872532037.db2.gz NTTGSDVXIYDQSE-IBGZPJMESA-N 0 0 413.525 4.381 20 30 HIEDRN CCCn1c(C)c(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c2cc(OC)ccc21 ZINC000448545340 872556130 /nfs/dbraw/zinc/55/61/30/872556130.db2.gz ZCFOCTXWHFRSIE-XUZZJYLKSA-N 0 0 409.530 4.436 20 30 HIEDRN COc1cc(C#N)ccc1OCCCc1nc(-c2ccccc2Br)no1 ZINC000460144491 872654397 /nfs/dbraw/zinc/65/43/97/872654397.db2.gz XHZAFUHGQCQYFB-UHFFFAOYSA-N 0 0 414.259 4.391 20 30 HIEDRN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)o1 ZINC000460164019 872712991 /nfs/dbraw/zinc/71/29/91/872712991.db2.gz QRZQSKGSYMFYEJ-UHFFFAOYSA-N 0 0 414.870 4.055 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460177825 872737299 /nfs/dbraw/zinc/73/72/99/872737299.db2.gz MUPFKRSWLXWPGU-FQEVSTJZSA-N 0 0 403.486 4.195 20 30 HIEDRN CCn1c(COc2cc(C)cc(C)c2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460193037 872764167 /nfs/dbraw/zinc/76/41/67/872764167.db2.gz AEBIPRBUYHDKBV-UHFFFAOYSA-N 0 0 419.529 4.019 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(Cl)cc3OC(F)F)CCO2)c1 ZINC000460240654 872830647 /nfs/dbraw/zinc/83/06/47/872830647.db2.gz WDKWFJPAGLRFKH-QGZVFWFLSA-N 0 0 407.804 4.418 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000460269638 872859176 /nfs/dbraw/zinc/85/91/76/872859176.db2.gz KSBQFWLAJOWDEU-UHFFFAOYSA-N 0 0 401.514 4.270 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460272045 872862156 /nfs/dbraw/zinc/86/21/56/872862156.db2.gz UIFKLINXIOKMNV-FQEVSTJZSA-N 0 0 403.486 4.195 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(OC)c2OC)n1CC ZINC000460279555 872868797 /nfs/dbraw/zinc/86/87/97/872868797.db2.gz HLVDMSOQTXGXCL-UHFFFAOYSA-N 0 0 408.502 4.183 20 30 HIEDRN CC(C)c1c(C(=O)NCCOc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000460283844 872873581 /nfs/dbraw/zinc/87/35/81/872873581.db2.gz UUTDSOHSLMVPEY-UHFFFAOYSA-N 0 0 408.889 4.330 20 30 HIEDRN CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC000460294570 872885280 /nfs/dbraw/zinc/88/52/80/872885280.db2.gz YHVQEQYTLSLAAQ-UHFFFAOYSA-N 0 0 406.921 4.207 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000460336209 872943352 /nfs/dbraw/zinc/94/33/52/872943352.db2.gz AZXKLTXBTOXUIT-FQEVSTJZSA-N 0 0 421.928 4.393 20 30 HIEDRN CCCCCS(=O)(=O)CC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000460341609 872953150 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4.020 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CCOC)Cc1ccco1 ZINC000460369291 873004657 /nfs/dbraw/zinc/00/46/57/873004657.db2.gz LAFVBZIJYHRGJP-VXKWHMMOSA-N 0 0 422.529 4.345 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000460372762 873009278 /nfs/dbraw/zinc/00/92/78/873009278.db2.gz CEWUILJLMJKZGW-DZGCQCFKSA-N 0 0 408.424 4.070 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000460373356 873010575 /nfs/dbraw/zinc/01/05/75/873010575.db2.gz DUEVLIPYFRMARV-UHFFFAOYSA-N 0 0 415.501 4.172 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC(=C)C ZINC000460373427 873010674 /nfs/dbraw/zinc/01/06/74/873010674.db2.gz HCYCSWOIGWNPQS-UHFFFAOYSA-N 0 0 412.497 4.363 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000460373553 873010792 /nfs/dbraw/zinc/01/07/92/873010792.db2.gz HOHYCYIJBPMQHP-KRWDZBQOSA-N 0 0 411.333 4.011 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000460373692 873011026 /nfs/dbraw/zinc/01/10/26/873011026.db2.gz IHKHIRUXGZLACG-FQEVSTJZSA-N 0 0 423.473 4.208 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@@H](COC)C1 ZINC000460374397 873011298 /nfs/dbraw/zinc/01/12/98/873011298.db2.gz HUMNHYKUOVQEJW-ZWKOTPCHSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@@H](C)c1cnn(C)c1 ZINC000460375612 873013595 /nfs/dbraw/zinc/01/35/95/873013595.db2.gz MANVETMWIHTIFW-AWEZNQCLSA-N 0 0 404.440 4.471 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OCCC)CC1 ZINC000460377022 873014958 /nfs/dbraw/zinc/01/49/58/873014958.db2.gz RJEDLEKENGPWLA-INIZCTEOSA-N 0 0 422.371 4.397 20 30 HIEDRN C=C(C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC[C@@H]1c1nncn1C ZINC000460376324 873015244 /nfs/dbraw/zinc/01/52/44/873015244.db2.gz SHXUUMDXIKWOFC-QGZVFWFLSA-N 0 0 423.590 4.322 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(CCO)Cc1ccccc1 ZINC000460377408 873016373 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873094490 /nfs/dbraw/zinc/09/44/90/873094490.db2.gz WADHRQNNJJWQAX-PKTZIBPZSA-N 0 0 413.525 4.207 20 30 HIEDRN Cn1cc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)cn1 ZINC000460443216 873111949 /nfs/dbraw/zinc/11/19/49/873111949.db2.gz MAMMVGYPBADCLI-QHCPKHFHSA-N 0 0 423.524 4.134 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCc1ccccc1 ZINC000460443860 873112350 /nfs/dbraw/zinc/11/23/50/873112350.db2.gz NLFDUYUDNJHAEV-QGZVFWFLSA-N 0 0 409.921 4.492 20 30 HIEDRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCc2ccccc2)cc1C ZINC000460445061 873114270 /nfs/dbraw/zinc/11/42/70/873114270.db2.gz CSGVCTMBDDHHBU-FQEVSTJZSA-N 0 0 403.530 4.455 20 30 HIEDRN CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)[C@H](C)C1 ZINC000460448713 873120992 /nfs/dbraw/zinc/12/09/92/873120992.db2.gz MLJDSUNCRMOFCC-GCJKJVERSA-N 0 0 401.514 4.063 20 30 HIEDRN Cc1ccn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(=O)c1C#N ZINC000460449511 873121498 /nfs/dbraw/zinc/12/14/98/873121498.db2.gz QDFHCCWRQMRJRI-UHFFFAOYSA-N 0 0 409.898 4.472 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CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000461688049 874838976 /nfs/dbraw/zinc/83/89/76/874838976.db2.gz OMSPEJMITLRYKT-LBPRGKRZSA-N 0 0 419.312 4.444 20 30 HIEDRN C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461699939 874849978 /nfs/dbraw/zinc/84/99/78/874849978.db2.gz LHIUGKCEQJGQGZ-XQFWAAQXSA-N 0 0 413.525 4.236 20 30 HIEDRN Cc1cccc(O[C@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCOC2)c1C ZINC000461700274 874850522 /nfs/dbraw/zinc/85/05/22/874850522.db2.gz LLKFGEXQOZJKOR-TZIWHRDSSA-N 0 0 423.561 4.202 20 30 HIEDRN N#CCN1CCC(CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000461706042 874855388 /nfs/dbraw/zinc/85/53/88/874855388.db2.gz SOTDLIUDHPGHEM-UHFFFAOYSA-N 0 0 416.550 4.442 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(CC3CCCCC3)C3CC3)n2C[C@@H]2CCOC2)cc1 ZINC000461706670 874856253 /nfs/dbraw/zinc/85/62/53/874856253.db2.gz UQXCBFUOMSENQE-FQEVSTJZSA-N 0 0 405.546 4.402 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000461708082 874857094 /nfs/dbraw/zinc/85/70/94/874857094.db2.gz WNQOOIGOTQGALQ-HXUWFJFHSA-N 0 0 400.456 4.056 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCOC1 ZINC000461711794 874860653 /nfs/dbraw/zinc/86/06/53/874860653.db2.gz YJEQVBLDZAXJKP-HXUWFJFHSA-N 0 0 404.514 4.183 20 30 HIEDRN Cc1nc(Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c(Cl)cc1C#N ZINC000461720331 874869549 /nfs/dbraw/zinc/86/95/49/874869549.db2.gz UEXHVNUIBLGXNP-GFCCVEGCSA-N 0 0 416.913 4.409 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461733573 874879775 /nfs/dbraw/zinc/87/97/75/874879775.db2.gz TVZGXVHBYOBLDG-QFIPXVFZSA-N 0 0 417.513 4.214 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)c3ccccc3SCc3cscn3)C2)cc1 ZINC000461741251 874885408 /nfs/dbraw/zinc/88/54/08/874885408.db2.gz QGGQUMQNAIIPQB-UHFFFAOYSA-N 0 0 407.520 4.210 20 30 HIEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000461743197 874886266 /nfs/dbraw/zinc/88/62/66/874886266.db2.gz SJHOKEXJBZHGOK-CQSZACIVSA-N 0 0 403.404 4.168 20 30 HIEDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000461749156 874889786 /nfs/dbraw/zinc/88/97/86/874889786.db2.gz STWYNFIJBDDXMA-UHFFFAOYSA-N 0 0 401.470 4.075 20 30 HIEDRN Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C#N)cc2Cl)n1 ZINC000461764642 874897457 /nfs/dbraw/zinc/89/74/57/874897457.db2.gz AQSMGNVJVUXECI-RISCZKNCSA-N 0 0 420.947 4.003 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)c2cccc(Br)c2)cc1 ZINC000461779433 874903718 /nfs/dbraw/zinc/90/37/18/874903718.db2.gz VBUOBRMKGVRGDD-ZDUSSCGKSA-N 0 0 402.292 4.499 20 30 HIEDRN CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 ZINC000461804966 874918104 /nfs/dbraw/zinc/91/81/04/874918104.db2.gz DVGPEUIDAAYUOM-YADHBBJMSA-N 0 0 423.561 4.171 20 30 HIEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)[C@H]2CCCC[C@H]12 ZINC000461809473 874925109 /nfs/dbraw/zinc/92/51/09/874925109.db2.gz OKDDNPGJRQSNLG-YCZSINBZSA-N 0 0 405.546 4.401 20 30 HIEDRN C[C@H]1Cc2ccccc2CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461813123 874930632 /nfs/dbraw/zinc/93/06/32/874930632.db2.gz VYRNFFMKBNRWFY-FDDCHVKYSA-N 0 0 413.525 4.337 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4sccc4C3)n2C[C@H]2CCCCO2)c1 ZINC000461822458 874948285 /nfs/dbraw/zinc/94/82/85/874948285.db2.gz BQUJORHCMYACTO-LJQANCHMSA-N 0 0 405.527 4.010 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4ccc(F)cc4C3)n2C[C@H]2CCCCO2)cc1 ZINC000461824064 874949854 /nfs/dbraw/zinc/94/98/54/874949854.db2.gz JCWJSJBQOYIKKF-JOCHJYFZSA-N 0 0 417.488 4.088 20 30 HIEDRN C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@@H](C)C1 ZINC000461836633 874971660 /nfs/dbraw/zinc/97/16/60/874971660.db2.gz QCXVAWLIPHUOKL-XQBPLPMBSA-N 0 0 423.561 4.170 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2OCC[C@@H]2C)n1C[C@H]1CCCCO1 ZINC000461838109 874974332 /nfs/dbraw/zinc/97/43/32/874974332.db2.gz ZWIYWCHGTUGGMM-VLCRHTCISA-N 0 0 421.545 4.009 20 30 HIEDRN C=CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461846973 874988471 /nfs/dbraw/zinc/98/84/71/874988471.db2.gz CCTPJMXUSHELEA-IBGZPJMESA-N 0 0 405.502 4.324 20 30 HIEDRN CC(C)C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461854389 874999318 /nfs/dbraw/zinc/99/93/18/874999318.db2.gz MQMZFHPWPUYKMJ-IRLDBZIGSA-N 0 0 423.561 4.313 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCO1 ZINC000461858453 875005978 /nfs/dbraw/zinc/00/59/78/875005978.db2.gz RFZOWSGCCIZBLH-QHCPKHFHSA-N 0 0 417.557 4.068 20 30 HIEDRN COCC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 ZINC000461869550 875019503 /nfs/dbraw/zinc/01/95/03/875019503.db2.gz NFNXABCJTKTUSA-RBBKRZOGSA-N 0 0 423.561 4.029 20 30 HIEDRN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 ZINC000461879029 875031767 /nfs/dbraw/zinc/03/17/67/875031767.db2.gz SMTGCSLZPNVUBZ-JOCHJYFZSA-N 0 0 405.546 4.211 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1cccc(Br)c1 ZINC000461897012 875043411 /nfs/dbraw/zinc/04/34/11/875043411.db2.gz IERGLUZVMWDESQ-OAHLLOKOSA-N 0 0 401.304 4.099 20 30 HIEDRN COC[C@@H](C)[C@H](C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000461913147 875055201 /nfs/dbraw/zinc/05/52/01/875055201.db2.gz GJGAXBHKWYBMAI-NEPJUHHUSA-N 0 0 411.449 4.481 20 30 HIEDRN C[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000461916888 875058360 /nfs/dbraw/zinc/05/83/60/875058360.db2.gz AEOFBCCQJNDUGK-WAIKUNEKSA-N 0 0 410.477 4.344 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000461930770 875067552 /nfs/dbraw/zinc/06/75/52/875067552.db2.gz DVDRYAMKMZLNAN-WFASDCNBSA-N 0 0 405.321 4.310 20 30 HIEDRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H]1CCC[C@@H]1C#N)CC2 ZINC000461932085 875068905 /nfs/dbraw/zinc/06/89/05/875068905.db2.gz BCNLMUQSAJOZMV-XQFWAAQXSA-N 0 0 405.498 4.053 20 30 HIEDRN CN(C)c1cccc(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000461932764 875070222 /nfs/dbraw/zinc/07/02/22/875070222.db2.gz VEGFSZUJOZDXBS-UHFFFAOYSA-N 0 0 403.461 4.393 20 30 HIEDRN CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000461940494 875074800 /nfs/dbraw/zinc/07/48/00/875074800.db2.gz KCNWYDGVMJUJJB-VLQPXKRTSA-N 0 0 406.933 4.384 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000461950976 875082668 /nfs/dbraw/zinc/08/26/68/875082668.db2.gz BMIJHQSDVGGTCO-UWJYYQICSA-N 0 0 413.905 4.289 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3cccc(COCc4ccco4)c3)C2)cc1 ZINC000461988074 875107859 /nfs/dbraw/zinc/10/78/59/875107859.db2.gz LSZVKNIHIIGTQV-UHFFFAOYSA-N 0 0 403.438 4.163 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000462016125 875134274 /nfs/dbraw/zinc/13/42/74/875134274.db2.gz PWQMQKCPFKVSPX-IBGZPJMESA-N 0 0 420.492 4.886 20 30 HIEDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000462023289 875139058 /nfs/dbraw/zinc/13/90/58/875139058.db2.gz PKILPDZCHUULHZ-LEWJYISDSA-N 0 0 414.513 4.638 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(CN3CCCC3)on2)cc1 ZINC000462025022 875141008 /nfs/dbraw/zinc/14/10/08/875141008.db2.gz DHOZNBFQBQQVET-UHFFFAOYSA-N 0 0 418.453 4.195 20 30 HIEDRN N#CC1(CS(=O)(=O)N2CCC(c3cccc(Br)c3)CC2)CCCC1 ZINC000462070006 875180358 /nfs/dbraw/zinc/18/03/58/875180358.db2.gz UHENBTUTNSCGOR-UHFFFAOYSA-N 0 0 411.365 4.042 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)cn1 ZINC000462073090 875183884 /nfs/dbraw/zinc/18/38/84/875183884.db2.gz CMENZGPSRSHPTP-OAQYLSRUSA-N 0 0 412.428 4.189 20 30 HIEDRN Cc1ccccc1-c1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000462076730 875187210 /nfs/dbraw/zinc/18/72/10/875187210.db2.gz OSCSTZFDLZGVDS-UHFFFAOYSA-N 0 0 415.497 4.343 20 30 HIEDRN C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000462086285 875195174 /nfs/dbraw/zinc/19/51/74/875195174.db2.gz FKSJGFKDBUFKIE-MRXNPFEDSA-N 0 0 409.453 4.084 20 30 HIEDRN CCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000462085876 875195270 /nfs/dbraw/zinc/19/52/70/875195270.db2.gz UCZZEJXGDKBNPA-UXHICEINSA-N 0 0 422.533 4.121 20 30 HIEDRN Cc1cccc(CN(Cc2ccco2)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000462089772 875198767 /nfs/dbraw/zinc/19/87/67/875198767.db2.gz IJCCRGPSYOAZRJ-UHFFFAOYSA-N 0 0 412.453 4.275 20 30 HIEDRN O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000462092059 875201882 /nfs/dbraw/zinc/20/18/82/875201882.db2.gz VEZSYVYGSVPBQR-UHFFFAOYSA-N 0 0 421.306 4.272 20 30 HIEDRN CCC(CC)[C@H](NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)c1ccccc1 ZINC000462094485 875204584 /nfs/dbraw/zinc/20/45/84/875204584.db2.gz BGMCYVRHVYIRJO-NRFANRHFSA-N 0 0 402.502 4.746 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2cc(-c3ccccc3C)nn2C)cc(OC)c1OC ZINC000462097823 875206608 /nfs/dbraw/zinc/20/66/08/875206608.db2.gz RYCIUQIOBJTCIX-UHFFFAOYSA-N 0 0 420.513 4.463 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000462097025 875207553 /nfs/dbraw/zinc/20/75/53/875207553.db2.gz HTKZMLCCNITZBC-GOSISDBHSA-N 0 0 424.917 4.114 20 30 HIEDRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000462097280 875207587 /nfs/dbraw/zinc/20/75/87/875207587.db2.gz JSACQUNMUWNLMR-TZMCWYRMSA-N 0 0 408.296 4.218 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cn1 ZINC000462102457 875209885 /nfs/dbraw/zinc/20/98/85/875209885.db2.gz CHXCRUJFCHGEQH-UHFFFAOYSA-N 0 0 411.469 4.032 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000462105485 875212499 /nfs/dbraw/zinc/21/24/99/875212499.db2.gz UIJUXVQLHXADPK-LJQANCHMSA-N 0 0 408.893 4.620 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000462106654 875212956 /nfs/dbraw/zinc/21/29/56/875212956.db2.gz YABSJEVFMOYGQS-OAQYLSRUSA-N 0 0 414.513 4.940 20 30 HIEDRN CCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](C)c1ccccc1OC ZINC000462108289 875214321 /nfs/dbraw/zinc/21/43/21/875214321.db2.gz LOUJSJICRLMPIA-INIZCTEOSA-N 0 0 404.474 4.153 20 30 HIEDRN Cc1ccccc1C[C@@H](C)NC(=O)CNc1ccccc1Oc1ncccc1C#N ZINC000462209471 875316212 /nfs/dbraw/zinc/31/62/12/875316212.db2.gz OKKNOPJHUGOHJR-GOSISDBHSA-N 0 0 400.482 4.213 20 30 HIEDRN N#Cc1ccc(OCCNc2ccc(CCn3cc(Br)cn3)cc2)cc1 ZINC000462231481 875341997 /nfs/dbraw/zinc/34/19/97/875341997.db2.gz KEDVLXRTPOKVRG-UHFFFAOYSA-N 0 0 411.303 4.251 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NCC(=O)NCCOc1cccc(Cl)c1 ZINC000462236342 875348820 /nfs/dbraw/zinc/34/88/20/875348820.db2.gz LVARUTZJSIOXCJ-HNNXBMFYSA-N 0 0 403.935 4.199 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000462238502 875352175 /nfs/dbraw/zinc/35/21/75/875352175.db2.gz WOIPDJAJOIZZPQ-OXJNMPFZSA-N 0 0 413.518 4.232 20 30 HIEDRN CC(C)(C)c1nc2ccc(S(=O)(=O)N(CCC#N)Cc3ccccn3)cc2s1 ZINC000462276837 875402873 /nfs/dbraw/zinc/40/28/73/875402873.db2.gz YSNOGOPADHJNFV-UHFFFAOYSA-N 0 0 414.556 4.093 20 30 HIEDRN N#CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000462298072 875419505 /nfs/dbraw/zinc/41/95/05/875419505.db2.gz NCGSWLCMXHQTQI-UHFFFAOYSA-N 0 0 412.298 4.427 20 30 HIEDRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)[C@@H]1CCCN1CC(F)(F)F ZINC000462330310 875447750 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HIEDRN COc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c1C ZINC000462543616 875664858 /nfs/dbraw/zinc/66/48/58/875664858.db2.gz AYAVUWQZZUDQBM-KRWDZBQOSA-N 0 0 414.387 4.203 20 30 HIEDRN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000462555125 875679675 /nfs/dbraw/zinc/67/96/75/875679675.db2.gz RURJYASOABXZFS-JTSKRJEESA-N 0 0 421.566 4.153 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462559522 875686538 /nfs/dbraw/zinc/68/65/38/875686538.db2.gz ZQIAOHZYYXSOJS-LBPRGKRZSA-N 0 0 411.296 4.232 20 30 HIEDRN N#CCCCCS(=O)(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000462600840 875716154 /nfs/dbraw/zinc/71/61/54/875716154.db2.gz GMGKEIJLYYOKRN-UHFFFAOYSA-N 0 0 413.381 4.264 20 30 HIEDRN Cc1cccc(Oc2cc(CNS(=O)(=O)c3cc(C#N)ccc3C)ccn2)c1C ZINC000462686636 875778588 /nfs/dbraw/zinc/77/85/88/875778588.db2.gz WWCJIAKBATYSJY-UHFFFAOYSA-N 0 0 407.495 4.149 20 30 HIEDRN C[C@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000462716967 875797668 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C=CCCN(C)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000466547450 880321173 /nfs/dbraw/zinc/32/11/73/880321173.db2.gz CZPAFHOHAHBEPK-UHFFFAOYSA-N 0 0 409.530 4.302 20 30 HIEDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466605296 880374703 /nfs/dbraw/zinc/37/47/03/880374703.db2.gz ZNUFKKYDHBNTOI-FPOVZHCZSA-N 0 0 408.502 4.362 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000466607222 880377684 /nfs/dbraw/zinc/37/76/84/880377684.db2.gz DAQHURTTYAYNDI-UHFFFAOYSA-N 0 0 410.318 4.113 20 30 HIEDRN COc1cc(Br)cc(NC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000466609148 880379314 /nfs/dbraw/zinc/37/93/14/880379314.db2.gz KNHGIZUTULGWBF-UHFFFAOYSA-N 0 0 405.252 4.179 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000466613138 880382716 /nfs/dbraw/zinc/38/27/16/880382716.db2.gz BOLCZPREGVCWFG-INIZCTEOSA-N 0 0 413.453 4.138 20 30 HIEDRN CC[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)Oc1ccccc1Cl ZINC000466613663 880384187 /nfs/dbraw/zinc/38/41/87/880384187.db2.gz ICJFJCMQUYFBNK-HNNXBMFYSA-N 0 0 402.882 4.397 20 30 HIEDRN CCOc1ccc(Cl)cc1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000466613751 880384393 /nfs/dbraw/zinc/38/43/93/880384393.db2.gz JILRAPGCZCDROO-UHFFFAOYSA-N 0 0 402.882 4.180 20 30 HIEDRN CC1(C)[C@H](NC(=O)Nc2ncccc2OCCCC#N)C[C@@H]1OCc1ccccc1 ZINC000466615128 880386133 /nfs/dbraw/zinc/38/61/33/880386133.db2.gz BSYCDWREIWHTAM-UXHICEINSA-N 0 0 408.502 4.270 20 30 HIEDRN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ncccc2OCCCC#N)C12CCCCC2 ZINC000466614749 880386328 /nfs/dbraw/zinc/38/63/28/880386328.db2.gz XFRYEZYXDAKCEK-OALUTQOASA-N 0 0 400.523 4.356 20 30 HIEDRN CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000466627385 880398630 /nfs/dbraw/zinc/39/86/30/880398630.db2.gz SVIGPSVJMYSHBR-UYAOXDASSA-N 0 0 412.465 4.287 20 30 HIEDRN CN(Cc1csc(Br)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000466628078 880400114 /nfs/dbraw/zinc/40/01/14/880400114.db2.gz OHLVLPJIKCBMFT-UHFFFAOYSA-N 0 0 409.309 4.252 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000466628922 880401750 /nfs/dbraw/zinc/40/17/50/880401750.db2.gz WQQJWSRTFJQDMX-UHFFFAOYSA-N 0 0 408.380 4.027 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000466691540 880482050 /nfs/dbraw/zinc/48/20/50/880482050.db2.gz PEUGZXDNMFVXOP-LADGPHEKSA-N 0 0 406.530 4.016 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)Nc3cc(Br)c(F)cc3F)CCO2)c1 ZINC000466719839 880508816 /nfs/dbraw/zinc/50/88/16/880508816.db2.gz YDENJNWNMABMSI-KRWDZBQOSA-N 0 0 422.229 4.204 20 30 HIEDRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OCc3ccccc3C#N)cc1)CCO2 ZINC000466729204 880515059 /nfs/dbraw/zinc/51/50/59/880515059.db2.gz SPUCQJMFMXJWCI-QHCPKHFHSA-N 0 0 414.461 4.399 20 30 HIEDRN Cc1cc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)nn1-c1ccccc1Cl ZINC000466746017 880527162 /nfs/dbraw/zinc/52/71/62/880527162.db2.gz NDGDNKZLJJYSKI-QGZVFWFLSA-N 0 0 407.905 4.581 20 30 HIEDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000466755357 880535467 /nfs/dbraw/zinc/53/54/67/880535467.db2.gz YOBQCVRSUDPBID-APWZRJJASA-N 0 0 410.518 4.450 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)NCc3ccnc(Oc4ccccc4F)c3)CC2)c1 ZINC000503528221 912580624 /nfs/dbraw/zinc/58/06/24/912580624.db2.gz SICMEZCHFXSZNB-UHFFFAOYSA-N 0 0 402.429 4.373 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](OC)c2ccc(F)cc2)cc1 ZINC000466799867 880577585 /nfs/dbraw/zinc/57/75/85/880577585.db2.gz HTNOLFZYPWHWIK-NRFANRHFSA-N 0 0 411.477 4.149 20 30 HIEDRN COc1ccc2[nH]cc(C3=CCN(C(=O)NCCc4cccc(C#N)c4)CC3)c2c1 ZINC000466811525 880587533 /nfs/dbraw/zinc/58/75/33/880587533.db2.gz HFWFNCWKYATOGO-UHFFFAOYSA-N 0 0 400.482 4.090 20 30 HIEDRN C[C@@H]1C[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000466813556 880589247 /nfs/dbraw/zinc/58/92/47/880589247.db2.gz PTVOCGAXVQOCCC-ALXJQNPVSA-N 0 0 406.486 4.136 20 30 HIEDRN COc1ccccc1NC(=O)c1ccc(NC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000466815825 880590785 /nfs/dbraw/zinc/59/07/85/880590785.db2.gz MZAVIAWOPJMAAN-UHFFFAOYSA-N 0 0 414.465 4.183 20 30 HIEDRN N#Cc1nnc2ccccc2c1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000466817757 880592462 /nfs/dbraw/zinc/59/24/62/880592462.db2.gz VMDOFWJMMXQUEC-GFCCVEGCSA-N 0 0 418.810 4.259 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](c4ccccc4)C[C@@H]3C)C2)n1 ZINC000466882945 880650486 /nfs/dbraw/zinc/65/04/86/880650486.db2.gz OBIMFQQNYUJZEB-WPYKKVEZSA-N 0 0 402.542 4.273 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000503535475 912594271 /nfs/dbraw/zinc/59/42/71/912594271.db2.gz LUWZTBBCXYBZMZ-UHFFFAOYSA-N 0 0 412.492 4.376 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000503539541 912598610 /nfs/dbraw/zinc/59/86/10/912598610.db2.gz XTUBVEATAUJOJJ-KRWDZBQOSA-N 0 0 411.889 4.000 20 30 HIEDRN Cc1ccc(-n2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2)c(C)c1 ZINC000466956120 880738496 /nfs/dbraw/zinc/73/84/96/880738496.db2.gz SENKQQVMEQYXNF-UHFFFAOYSA-N 0 0 415.497 4.436 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 ZINC000467011836 880816813 /nfs/dbraw/zinc/81/68/13/880816813.db2.gz DKVTVAQDOXLRIZ-UHFFFAOYSA-N 0 0 402.454 4.036 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000467051928 880843019 /nfs/dbraw/zinc/84/30/19/880843019.db2.gz UCRDVTJQLCQZMX-OAHLLOKOSA-N 0 0 413.478 4.484 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1N ZINC000467073740 880850859 /nfs/dbraw/zinc/85/08/59/880850859.db2.gz IBTPSLFWAVALPZ-UHFFFAOYSA-N 0 0 424.464 4.383 20 30 HIEDRN C=CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000467105633 880865996 /nfs/dbraw/zinc/86/59/96/880865996.db2.gz FXZHLHLGPNYAET-LJQANCHMSA-N 0 0 406.935 4.050 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000467138530 880882542 /nfs/dbraw/zinc/88/25/42/880882542.db2.gz KHFXYRYMHKQVQT-HZPDHXFCSA-N 0 0 408.527 4.114 20 30 HIEDRN N#Cc1cc(F)c(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c(F)c1 ZINC000467155183 880890346 /nfs/dbraw/zinc/89/03/46/880890346.db2.gz MFCGMDYEUOJRII-UHFFFAOYSA-N 0 0 410.492 4.351 20 30 HIEDRN C[C@@]1(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCO[C@@H]1C1CC1 ZINC000467166942 880897016 /nfs/dbraw/zinc/89/70/16/880897016.db2.gz YLYLLXRQLODDBX-QPPBQGQZSA-N 0 0 418.497 4.137 20 30 HIEDRN CN(Cc1cc(C#N)ccc1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467272050 881012797 /nfs/dbraw/zinc/01/27/97/881012797.db2.gz WZPGCMCGHISYMZ-UHFFFAOYSA-N 0 0 421.310 4.242 20 30 HIEDRN CCc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000503560216 912635556 /nfs/dbraw/zinc/63/55/56/912635556.db2.gz SDCJFIJGTUPGEG-UHFFFAOYSA-N 0 0 407.405 4.326 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)cc1Cl ZINC000467306007 881055048 /nfs/dbraw/zinc/05/50/48/881055048.db2.gz NFLPJJDOTQXHCU-HNNXBMFYSA-N 0 0 406.891 4.011 20 30 HIEDRN COc1ccc(-c2nc(C)c(C(=O)N(CCC#N)CC(F)(F)F)s2)cc1OC ZINC000467321745 881068958 /nfs/dbraw/zinc/06/89/58/881068958.db2.gz OZTPONWFPMQZPM-UHFFFAOYSA-N 0 0 413.421 4.054 20 30 HIEDRN CC(C)(C)c1nnc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)s1 ZINC000467327618 881075290 /nfs/dbraw/zinc/07/52/90/881075290.db2.gz LDNKDLAZZMILHQ-UHFFFAOYSA-N 0 0 406.511 4.216 20 30 HIEDRN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(C#Cc2ccccn2)c1 ZINC000467329747 881078062 /nfs/dbraw/zinc/07/80/62/881078062.db2.gz LHPAUSWUQJRQPG-UHFFFAOYSA-N 0 0 406.829 4.365 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2o1 ZINC000467332204 881080980 /nfs/dbraw/zinc/08/09/80/881080980.db2.gz FSJUUQXOZBSCSG-KRWDZBQOSA-N 0 0 409.445 4.044 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000467340629 881091080 /nfs/dbraw/zinc/09/10/80/881091080.db2.gz JHHRTRRMBDUQQG-HZPDHXFCSA-N 0 0 415.588 4.306 20 30 HIEDRN CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000467410530 881197065 /nfs/dbraw/zinc/19/70/65/881197065.db2.gz IDYOAHBINPFDEZ-RTBURBONSA-N 0 0 422.529 4.024 20 30 HIEDRN C[C@@H](C(=O)N(CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1)n1cnc(C#N)n1 ZINC000467419790 881208986 /nfs/dbraw/zinc/20/89/86/881208986.db2.gz PGDOVQDJQVWYLQ-ZDUSSCGKSA-N 0 0 418.328 4.130 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000467428651 881220360 /nfs/dbraw/zinc/22/03/60/881220360.db2.gz LDPLUCYNTIPJSK-SFHVURJKSA-N 0 0 404.514 4.399 20 30 HIEDRN N#C[C@@H](C(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000503574885 912656303 /nfs/dbraw/zinc/65/63/03/912656303.db2.gz WGWMOGNMWOYEJB-QGZVFWFLSA-N 0 0 410.355 4.238 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(OC3CCCC3)CC2)c1C#N ZINC000503581785 912665988 /nfs/dbraw/zinc/66/59/88/912665988.db2.gz RIRLPFUXTLGPNI-UHFFFAOYSA-N 0 0 420.557 4.328 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000503581866 912669238 /nfs/dbraw/zinc/66/92/38/912669238.db2.gz SGSCNCQNDUQITH-INIZCTEOSA-N 0 0 418.522 4.331 20 30 HIEDRN C=CCC(CC=C)C(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000467521786 881338811 /nfs/dbraw/zinc/33/88/11/881338811.db2.gz MJRCJFLIKIKBOE-QFIPXVFZSA-N 0 0 413.539 4.073 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)c3cnn(-c4cccnc4)c3)c2)cc1 ZINC000469052698 883125258 /nfs/dbraw/zinc/12/52/58/883125258.db2.gz RVCJZWSMYZWJRT-UHFFFAOYSA-N 0 0 409.449 4.165 20 30 HIEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)N1c2ccccc2C[C@H]1C ZINC000469062705 883137285 /nfs/dbraw/zinc/13/72/85/883137285.db2.gz QPSTULRVOWHBCV-QZTJIDSGSA-N 0 0 416.525 4.048 20 30 HIEDRN N#CCSc1cccc(C(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000469068062 883146870 /nfs/dbraw/zinc/14/68/70/883146870.db2.gz PKMQLPVMSIDMLN-UHFFFAOYSA-N 0 0 421.547 4.115 20 30 HIEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000469091992 883180939 /nfs/dbraw/zinc/18/09/39/883180939.db2.gz WEQDLZLEDLTXJU-UHFFFAOYSA-N 0 0 422.435 4.014 20 30 HIEDRN Cc1ccc2c(c1)nc(CNC(=O)c1cccc(OCc3ccccc3C#N)c1)n2C ZINC000469122769 883216823 /nfs/dbraw/zinc/21/68/23/883216823.db2.gz WRYCOKQHKYXXIR-UHFFFAOYSA-N 0 0 410.477 4.262 20 30 HIEDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1nn(C(C)C)cc1C#N ZINC000469124686 883220788 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20 30 HIEDRN COCCc1nc(C)c([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)s1 ZINC000469221578 883320959 /nfs/dbraw/zinc/32/09/59/883320959.db2.gz KOEBHJDQNDIOPL-HNNXBMFYSA-N 0 0 412.559 4.397 20 30 HIEDRN C[C@H](CC(=O)N(C)c1ccccc1)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469239437 883338580 /nfs/dbraw/zinc/33/85/80/883338580.db2.gz MPHWSVHBLZQVAC-GOSISDBHSA-N 0 0 404.514 4.123 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000469255605 883351139 /nfs/dbraw/zinc/35/11/39/883351139.db2.gz VYWMVOFUSJCASF-IBGZPJMESA-N 0 0 412.902 4.128 20 30 HIEDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469254696 883351203 /nfs/dbraw/zinc/35/12/03/883351203.db2.gz ZVNYKQDKKUBYMR-SPLOXXLWSA-N 0 0 407.857 4.469 20 30 HIEDRN Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1-c1c(F)cccc1F ZINC000469264174 883360579 /nfs/dbraw/zinc/36/05/79/883360579.db2.gz XEOQFKABDNMXRG-UHFFFAOYSA-N 0 0 404.323 4.184 20 30 HIEDRN CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccc21 ZINC000469266363 883364723 /nfs/dbraw/zinc/36/47/23/883364723.db2.gz PXVPREGRHLJILZ-UHFFFAOYSA-N 0 0 412.449 4.381 20 30 HIEDRN CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000503605578 912702762 /nfs/dbraw/zinc/70/27/62/912702762.db2.gz AAYVWYMSCUBZJC-QHCPKHFHSA-N 0 0 400.478 4.333 20 30 HIEDRN Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C ZINC000469305093 883402746 /nfs/dbraw/zinc/40/27/46/883402746.db2.gz ULHWNODIGUBIRN-SFHVURJKSA-N 0 0 404.514 4.326 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccccc1NC(C)=O ZINC000469339422 883451417 /nfs/dbraw/zinc/45/14/17/883451417.db2.gz YXLCUKDHKGSBTF-UHFFFAOYSA-N 0 0 419.294 4.304 20 30 HIEDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCCOc1cccc(C#N)c1 ZINC000469363446 883488138 /nfs/dbraw/zinc/48/81/38/883488138.db2.gz OZYDVQCFIJKQSZ-VXKWHMMOSA-N 0 0 406.482 4.013 20 30 HIEDRN C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H]1n1ccnc1 ZINC000469381697 883518004 /nfs/dbraw/zinc/51/80/04/883518004.db2.gz PWDGNLPMDNQMID-IIBYNOLFSA-N 0 0 404.445 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/nfs/dbraw/zinc/72/22/28/883722228.db2.gz KDUGCNBPGPWTJY-UHFFFAOYSA-N 0 0 411.767 4.149 20 30 HIEDRN N#CCCCn1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c2ccccc21 ZINC000469490695 883730248 /nfs/dbraw/zinc/73/02/48/883730248.db2.gz WNILGSOQHMNIJR-UHFFFAOYSA-N 0 0 415.472 4.242 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)CC2)cc1 ZINC000503641627 912746742 /nfs/dbraw/zinc/74/67/42/912746742.db2.gz HNXNPVZCOLALPZ-UHFFFAOYSA-N 0 0 422.916 4.369 20 30 HIEDRN C=CCN(Cc1cc(-c2cnn(C)c2)no1)Cc1cc(Br)ccc1F ZINC000469536475 883805649 /nfs/dbraw/zinc/80/56/49/883805649.db2.gz YFOMECRASOTTGF-UHFFFAOYSA-N 0 0 405.271 4.165 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000469580032 883821296 /nfs/dbraw/zinc/82/12/96/883821296.db2.gz FJQQKLOEXWNBTN-UHFFFAOYSA-N 0 0 421.403 4.226 20 30 HIEDRN CCOC(=O)c1sc([C@H](C)NC(=O)c2cn(CCCC#N)c3ccccc23)nc1C ZINC000469609062 883833283 /nfs/dbraw/zinc/83/32/83/883833283.db2.gz LKNFJAYIKAOWIL-HNNXBMFYSA-N 0 0 424.526 4.378 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000503649228 912755845 /nfs/dbraw/zinc/75/58/45/912755845.db2.gz MPAVJDKYIIODNK-OPAMFIHVSA-N 0 0 420.937 4.219 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1F ZINC000469630764 883841015 /nfs/dbraw/zinc/84/10/15/883841015.db2.gz JIOSLCRUJZFYLE-UHFFFAOYSA-N 0 0 408.260 4.037 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@]4(CCOC4)C3)cc2Cl)cc1 ZINC000469666821 883859583 /nfs/dbraw/zinc/85/95/83/883859583.db2.gz GURLPIPMLDQJES-OAQYLSRUSA-N 0 0 413.861 4.027 20 30 HIEDRN CN(C(=O)Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1)c1ccccc1 ZINC000469734613 883892582 /nfs/dbraw/zinc/89/25/82/883892582.db2.gz DYXLJTIFBOLZJR-UHFFFAOYSA-N 0 0 416.481 4.433 20 30 HIEDRN CC[C@@H](CN(C)[C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000469736155 883894018 /nfs/dbraw/zinc/89/40/18/883894018.db2.gz WCQSFJKNKGINMC-KXBFYZLASA-N 0 0 406.313 4.181 20 30 HIEDRN COc1cc(Br)ccc1[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000469751357 883911442 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CCNc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000469942103 884138997 /nfs/dbraw/zinc/13/89/97/884138997.db2.gz VSRMQBVZYNCJHG-UHFFFAOYSA-N 0 0 420.542 4.308 20 30 HIEDRN CC(C)(C)c1nc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cs1 ZINC000469948822 884146879 /nfs/dbraw/zinc/14/68/79/884146879.db2.gz SKROMCOYEANRRP-UHFFFAOYSA-N 0 0 410.543 4.205 20 30 HIEDRN Cc1ccc(CSCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469950538 884152001 /nfs/dbraw/zinc/15/20/01/884152001.db2.gz NLFQJCDJHFKEPV-UHFFFAOYSA-N 0 0 407.539 4.450 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)ccc21 ZINC000469953095 884155489 /nfs/dbraw/zinc/15/54/89/884155489.db2.gz LQUQLPFKOFSSEE-MJGOQNOKSA-N 0 0 409.436 4.290 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3c[nH]c4cc(F)ccc34)ccc21 ZINC000469953001 884155810 /nfs/dbraw/zinc/15/58/10/884155810.db2.gz MAKCODYCEWUIKQ-UHFFFAOYSA-N 0 0 404.445 4.071 20 30 HIEDRN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CO2 ZINC000469956775 884159722 /nfs/dbraw/zinc/15/97/22/884159722.db2.gz QBICMPUKJQFQAC-FQEVSTJZSA-N 0 0 403.482 4.001 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccccc2OC)c1CC ZINC000469961867 884168818 /nfs/dbraw/zinc/16/88/18/884168818.db2.gz JAPLWSMXBGTMFH-UHFFFAOYSA-N 0 0 400.482 4.143 20 30 HIEDRN COc1ccc(CCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469969158 884178689 /nfs/dbraw/zinc/17/86/89/884178689.db2.gz KFIDCRDKSQGAFV-UHFFFAOYSA-N 0 0 405.498 4.240 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)ccc21 ZINC000469972793 884184961 /nfs/dbraw/zinc/18/49/61/884184961.db2.gz KJLTWJWAHVCVCF-QZTJIDSGSA-N 0 0 409.436 4.290 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3coc(-c4cccs4)n3)ccc21 ZINC000469976921 884190519 /nfs/dbraw/zinc/19/05/19/884190519.db2.gz ZRVBLVVOJIMDHK-UHFFFAOYSA-N 0 0 420.494 4.167 20 30 HIEDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000469986003 884201077 /nfs/dbraw/zinc/20/10/77/884201077.db2.gz ZUCSVTFKWLVIDL-UHFFFAOYSA-N 0 0 401.869 4.165 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470011240 884226087 /nfs/dbraw/zinc/22/60/87/884226087.db2.gz IIJKJPLBHDPPCG-MRXNPFEDSA-N 0 0 400.482 4.148 20 30 HIEDRN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025137 884245137 /nfs/dbraw/zinc/24/51/37/884245137.db2.gz SOSRJZGTTYMHRH-CJNGLKHVSA-N 0 0 404.297 4.345 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000470036348 884273904 /nfs/dbraw/zinc/27/39/04/884273904.db2.gz UHHUILKELFYRQT-LADGPHEKSA-N 0 0 418.541 4.009 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000470041120 884282190 /nfs/dbraw/zinc/28/21/90/884282190.db2.gz JDLNZOAHYXGKIR-AWEZNQCLSA-N 0 0 417.490 4.140 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000503715200 912808612 /nfs/dbraw/zinc/80/86/12/912808612.db2.gz YKENNCCCWNPBSG-UHFFFAOYSA-N 0 0 405.404 4.101 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CC3(CCCC3)c3cccc(F)c32)c1 ZINC000470087578 884345419 /nfs/dbraw/zinc/34/54/19/884345419.db2.gz RMNRKIHUAPCJKO-OAQYLSRUSA-N 0 0 417.484 4.047 20 30 HIEDRN C=CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000470096245 884355076 /nfs/dbraw/zinc/35/50/76/884355076.db2.gz GRBIXORCNYTTJU-UHFFFAOYSA-N 0 0 419.481 4.330 20 30 HIEDRN C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000470098447 884355619 /nfs/dbraw/zinc/35/56/19/884355619.db2.gz SSQVYJBRKUCKIX-QGZVFWFLSA-N 0 0 412.449 4.407 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1-n1cccn1 ZINC000470098092 884356266 /nfs/dbraw/zinc/35/62/66/884356266.db2.gz QRVAOGIIYHFUCO-QGZVFWFLSA-N 0 0 409.449 4.422 20 30 HIEDRN COC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1ccsc1 ZINC000470147447 884414169 /nfs/dbraw/zinc/41/41/69/884414169.db2.gz FESQDGSKMWHPPZ-HXUWFJFHSA-N 0 0 406.463 4.365 20 30 HIEDRN COc1cc(CCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1Cl ZINC000470199708 884509728 /nfs/dbraw/zinc/50/97/28/884509728.db2.gz FVDFRAGMOBXROI-UHFFFAOYSA-N 0 0 418.324 4.155 20 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HIEDRN Cn1nc(C(F)F)c2cc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)sc21 ZINC000470990234 885489970 /nfs/dbraw/zinc/48/99/70/885489970.db2.gz AZFLMGOAUQYNCI-UHFFFAOYSA-N 0 0 413.371 4.373 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000470997156 885499131 /nfs/dbraw/zinc/49/91/31/885499131.db2.gz LPDOUGBHUXKWRR-JOCHJYFZSA-N 0 0 419.916 4.305 20 30 HIEDRN CCc1cccc(CC)c1NC(=O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003230 885505528 /nfs/dbraw/zinc/50/55/28/885505528.db2.gz CPOFJRMOIBBHRO-JOCHJYFZSA-N 0 0 424.976 4.286 20 30 HIEDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471005765 885507418 /nfs/dbraw/zinc/50/74/18/885507418.db2.gz LGXDUTZKCVDJQC-RHSMWYFYSA-N 0 0 413.934 4.395 20 30 HIEDRN C[C@H](C(=O)Nc1ccccc1Cl)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471009892 885512040 /nfs/dbraw/zinc/51/20/40/885512040.db2.gz WTMZLECEUWJTJJ-QRWLVFNGSA-N 0 0 417.340 4.203 20 30 HIEDRN Cc1ccccc1Cc1nc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)no1 ZINC000471015090 885517889 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CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1Cl ZINC000471971662 886802275 /nfs/dbraw/zinc/80/22/75/886802275.db2.gz BWFKPGDQCVPSCB-AEFFLSMTSA-N 0 0 417.918 4.047 20 30 HIEDRN CCN1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000471980484 886808682 /nfs/dbraw/zinc/80/86/82/886808682.db2.gz RSBFKZBTKVIVAT-YLJYHZDGSA-N 0 0 402.420 4.241 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)c1cc(I)ccc1Cl ZINC000472016805 886838795 /nfs/dbraw/zinc/83/87/95/886838795.db2.gz HFSJLZCSCDYSPD-UHFFFAOYSA-N 0 0 400.578 4.208 20 30 HIEDRN Cc1nc(SCC(=O)N(C)c2ccc(-c3ccccc3)nn2)c(C#N)c(C)c1C ZINC000472024354 886847040 /nfs/dbraw/zinc/84/70/40/886847040.db2.gz GBDCQYLLLXTPFP-UHFFFAOYSA-N 0 0 403.511 4.091 20 30 HIEDRN C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nc2ccccc2c1=O ZINC000472203064 887003239 /nfs/dbraw/zinc/00/32/39/887003239.db2.gz DPSRBSRXAUDJCD-UHFFFAOYSA-N 0 0 423.929 4.324 20 30 HIEDRN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000472248177 887057633 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/nfs/dbraw/zinc/19/80/93/887198093.db2.gz NBVOAMHPQVVRCU-UHFFFAOYSA-N 0 0 412.588 4.300 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000472416163 887264507 /nfs/dbraw/zinc/26/45/07/887264507.db2.gz YWLJDWXJLGCBAH-UHFFFAOYSA-N 0 0 400.910 4.059 20 30 HIEDRN Cn1ccc2cccc(NC(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c21 ZINC000472521019 887392030 /nfs/dbraw/zinc/39/20/30/887392030.db2.gz XBIMSVJOUWSOMK-UHFFFAOYSA-N 0 0 424.460 4.206 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000472546881 887427409 /nfs/dbraw/zinc/42/74/09/887427409.db2.gz JUSFXFYQRIMENJ-MAUKXSAKSA-N 0 0 402.267 4.157 20 30 HIEDRN Cc1cc(NC(=O)c2csc(-c3ccc(Br)s3)n2)nn1CCC#N ZINC000504293288 913146109 /nfs/dbraw/zinc/14/61/09/913146109.db2.gz MNZQQFIWCKYQBY-UHFFFAOYSA-N 0 0 422.333 4.305 20 30 HIEDRN Cc1nc2cc(C(=O)Nc3nn(C(C)C)cc3C#N)ccc2n1Cc1ccsc1 ZINC000472560012 887444965 /nfs/dbraw/zinc/44/49/65/887444965.db2.gz LUXHEYIQTCXMBM-UHFFFAOYSA-N 0 0 404.499 4.356 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000504294747 913147791 /nfs/dbraw/zinc/14/77/91/913147791.db2.gz DELHHFKDEXDNKM-UHFFFAOYSA-N 0 0 412.433 4.448 20 30 HIEDRN C[C@H](Oc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1)c1ccccc1 ZINC000472657114 887517287 /nfs/dbraw/zinc/51/72/87/887517287.db2.gz WPTJAZMRLSTGJG-IBGZPJMESA-N 0 0 412.493 4.056 20 30 HIEDRN COC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1ccco1 ZINC000472677752 887533237 /nfs/dbraw/zinc/53/32/37/887533237.db2.gz MLCKFMWQMFPFCB-OAQYLSRUSA-N 0 0 405.454 4.434 20 30 HIEDRN CNC(=O)CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000472709397 887559611 /nfs/dbraw/zinc/55/96/11/887559611.db2.gz FIIHCVWKWLHKJF-UHFFFAOYSA-N 0 0 406.486 4.039 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000472713027 887562630 /nfs/dbraw/zinc/56/26/30/887562630.db2.gz PHWNIHXLOSUNEA-UHFFFAOYSA-N 0 0 422.529 4.234 20 30 HIEDRN COC[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)c1ccco1 ZINC000472727110 887574473 /nfs/dbraw/zinc/57/44/73/887574473.db2.gz SWYDIJCVZAOOEG-GOSISDBHSA-N 0 0 407.426 4.461 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCCC3(CCC3)C2)cc1F ZINC000472784435 887630414 /nfs/dbraw/zinc/63/04/14/887630414.db2.gz HKTSDQWWHSPPLS-UHFFFAOYSA-N 0 0 407.445 4.221 20 30 HIEDRN COc1ccc(F)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1OC ZINC000472788636 887634589 /nfs/dbraw/zinc/63/45/89/887634589.db2.gz KRZYQPTZODPPJY-UHFFFAOYSA-N 0 0 419.412 4.219 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000472816012 887658812 /nfs/dbraw/zinc/65/88/12/887658812.db2.gz SOMOMEHJSFRCHF-DOTOQJQBSA-N 0 0 401.557 4.154 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000472820407 887663866 /nfs/dbraw/zinc/66/38/66/887663866.db2.gz AMPSFCVJCAJBNB-UHFFFAOYSA-N 0 0 408.832 4.485 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000472823653 887668867 /nfs/dbraw/zinc/66/88/67/887668867.db2.gz DJEGAHCQIYBHAB-UHFFFAOYSA-N 0 0 417.303 4.001 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000472828815 887676651 /nfs/dbraw/zinc/67/66/51/887676651.db2.gz QSFRAKBCGPVBJZ-UHFFFAOYSA-N 0 0 412.489 4.461 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2occc2COc2cccc(C#N)c2)c(C)cc1C ZINC000472835018 887685093 /nfs/dbraw/zinc/68/50/93/887685093.db2.gz QSQMLNKBDZUFRU-UHFFFAOYSA-N 0 0 404.422 4.386 20 30 HIEDRN Cn1cc(CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccc(F)cc21 ZINC000472834655 887685195 /nfs/dbraw/zinc/68/51/95/887685195.db2.gz GAQXSSGAVBOTGV-VXKWHMMOSA-N 0 0 404.489 4.341 20 30 HIEDRN O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000472857498 887711802 /nfs/dbraw/zinc/71/18/02/887711802.db2.gz BDEIPDGNVNAUMF-UHFFFAOYSA-N 0 0 415.537 4.343 20 30 HIEDRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1CCN(CC(F)F)CC1 ZINC000504327691 913172134 /nfs/dbraw/zinc/17/21/34/913172134.db2.gz FJXUUCZYHYNNAT-CQSZACIVSA-N 0 0 418.328 4.402 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)o1 ZINC000472918978 887765722 /nfs/dbraw/zinc/76/57/22/887765722.db2.gz FSGVMLHXLUOOFR-UHFFFAOYSA-N 0 0 400.482 4.305 20 30 HIEDRN COc1cccc(C=C2CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)c1 ZINC000472923921 887770719 /nfs/dbraw/zinc/77/07/19/887770719.db2.gz GHWBBFJUGGZKNJ-UHFFFAOYSA-N 0 0 420.509 4.440 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000472954555 887803888 /nfs/dbraw/zinc/80/38/88/887803888.db2.gz STECORYAJKGZPE-OAQYLSRUSA-N 0 0 422.525 4.096 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000504351805 913185453 /nfs/dbraw/zinc/18/54/53/913185453.db2.gz NSYJZGSUSYDIOS-RBBKRZOGSA-N 0 0 410.489 4.262 20 30 HIEDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000473097369 887905154 /nfs/dbraw/zinc/90/51/54/887905154.db2.gz LZTIFFLKTDGPSI-UHFFFAOYSA-N 0 0 422.300 4.427 20 30 HIEDRN Cn1c(CNc2ccn(-c3cccc(F)c3C#N)n2)nc2cc(C(F)(F)F)ccc21 ZINC000512377269 921115175 /nfs/dbraw/zinc/11/51/75/921115175.db2.gz GYZIWJWJFHQFHE-UHFFFAOYSA-N 0 0 414.366 4.401 20 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ZINC000473392634 888105050 /nfs/dbraw/zinc/10/50/50/888105050.db2.gz UVOKCAFGLULMDO-KRWDZBQOSA-N 0 0 421.806 4.360 20 30 HIEDRN C[C@H]1[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1c1ccccc1 ZINC000473404740 888121808 /nfs/dbraw/zinc/12/18/08/888121808.db2.gz FWQUADYXOGYXGR-KBXCAEBGSA-N 0 0 403.404 4.353 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)cc1 ZINC000473435493 888156670 /nfs/dbraw/zinc/15/66/70/888156670.db2.gz SBHPQVJCLLUPBV-UHFFFAOYSA-N 0 0 406.873 4.285 20 30 HIEDRN CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1 ZINC000473485610 888206502 /nfs/dbraw/zinc/20/65/02/888206502.db2.gz AJATYVMLHRTYKV-MRXNPFEDSA-N 0 0 403.873 4.465 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc([C@H]3CCCOC3)c2)CC1 ZINC000473558725 888297662 /nfs/dbraw/zinc/29/76/62/888297662.db2.gz AYAUMICRTAYFOK-GMAHTHKFSA-N 0 0 423.944 4.257 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000473566446 888307399 /nfs/dbraw/zinc/30/73/99/888307399.db2.gz FDCBRKDKYMKBOQ-QHCPKHFHSA-N 0 0 422.960 4.353 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 ZINC000473568171 888308604 /nfs/dbraw/zinc/30/86/04/888308604.db2.gz CXELAKOEBNICSM-QFIPXVFZSA-N 0 0 409.917 4.151 20 30 HIEDRN Cc1cccc2c(CC(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c[nH]c21 ZINC000473570866 888311606 /nfs/dbraw/zinc/31/16/06/888311606.db2.gz SILPCHZARNMPHP-OAQYLSRUSA-N 0 0 406.917 4.081 20 30 HIEDRN Cc1nc(CC(C)C)c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000473570300 888311780 /nfs/dbraw/zinc/31/17/80/888311780.db2.gz NTNULIRQKYGWKO-LJQANCHMSA-N 0 0 416.978 4.326 20 30 HIEDRN Cc1cccc2c(CC(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)c[nH]c21 ZINC000473570864 888311893 /nfs/dbraw/zinc/31/18/93/888311893.db2.gz SILPCHZARNMPHP-NRFANRHFSA-N 0 0 406.917 4.081 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000473572638 888312845 /nfs/dbraw/zinc/31/28/45/888312845.db2.gz VOLSNOGJLFECSF-SQGPQFPESA-N 0 0 415.871 4.131 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000473572531 888312865 /nfs/dbraw/zinc/31/28/65/888312865.db2.gz YBALHGSLOCBSDM-VQTJNVASSA-N 0 0 411.958 4.328 20 30 HIEDRN CC(C)Oc1ccccc1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473573051 888313343 /nfs/dbraw/zinc/31/33/43/888313343.db2.gz UPIUBDKEZNRHOT-OAQYLSRUSA-N 0 0 411.933 4.079 20 30 HIEDRN CC(C)OCc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000473573760 888314975 /nfs/dbraw/zinc/31/49/75/888314975.db2.gz JHRUBQARZJLARK-QFIPXVFZSA-N 0 0 411.933 4.288 20 30 HIEDRN COc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000504417700 913232667 /nfs/dbraw/zinc/23/26/67/913232667.db2.gz DPLZHOLZLVHNMP-AWEZNQCLSA-N 0 0 420.494 4.320 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000473579867 888321609 /nfs/dbraw/zinc/32/16/09/888321609.db2.gz YNYRWCOACLLFKF-HXUWFJFHSA-N 0 0 406.873 4.018 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2cccc(C(F)F)c2)CC1 ZINC000473580491 888322142 /nfs/dbraw/zinc/32/21/42/888322142.db2.gz CUTXRRXPDLXPHT-LJQANCHMSA-N 0 0 403.860 4.229 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]cc2-c2ccccc2F)CC1 ZINC000473582007 888324016 /nfs/dbraw/zinc/32/40/16/888324016.db2.gz JNAKVXSQNAEZII-JOCHJYFZSA-N 0 0 422.891 4.497 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC2CCC(c3ccccc3)CC2)c1 ZINC000473583100 888324925 /nfs/dbraw/zinc/32/49/25/888324925.db2.gz OLYIDRJWKZITGT-PBSMCPNCSA-N 0 0 415.537 4.139 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000473584286 888326782 /nfs/dbraw/zinc/32/67/82/888326782.db2.gz XZOBWXLUILEABS-HXUWFJFHSA-N 0 0 406.873 4.018 20 30 HIEDRN CC(C)c1nnc(CCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)o1 ZINC000473603732 888347279 /nfs/dbraw/zinc/34/72/79/888347279.db2.gz OPHNFJZKKFQETC-UHFFFAOYSA-N 0 0 406.461 4.365 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000473629058 888369510 /nfs/dbraw/zinc/36/95/10/888369510.db2.gz XZRMRATUXVHZAE-UHFFFAOYSA-N 0 0 401.466 4.453 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888482640 /nfs/dbraw/zinc/48/26/40/888482640.db2.gz ILTPMKRDDYCYON-GGPKGHCWSA-N 0 0 421.566 4.357 20 30 HIEDRN CC(C)(C)CN(CCC#N)C(=O)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)o1 ZINC000473718976 888496307 /nfs/dbraw/zinc/49/63/07/888496307.db2.gz DFZCYEMAYLJJFO-UHFFFAOYSA-N 0 0 400.523 4.084 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)C3(CCOCc4ccccc4)CC3)C2)c(F)c1 ZINC000473746725 888530595 /nfs/dbraw/zinc/53/05/95/888530595.db2.gz CQNWQQRHUWEMFU-NRFANRHFSA-N 0 0 421.516 4.169 20 30 HIEDRN CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000473758025 888549642 /nfs/dbraw/zinc/54/96/42/888549642.db2.gz XKOXDFBNYGJQDZ-PKTZIBPZSA-N 0 0 420.557 4.289 20 30 HIEDRN Cc1occc1C(=O)Nc1cc(NC(=O)N(CCC#N)Cc2ccccn2)ccc1F ZINC000473765804 888561866 /nfs/dbraw/zinc/56/18/66/888561866.db2.gz WCJIKFNITYIYSU-UHFFFAOYSA-N 0 0 421.432 4.322 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cc2F)c1 ZINC000473785539 888594426 /nfs/dbraw/zinc/59/44/26/888594426.db2.gz MNNYOCZDYMOVMM-CEWLAPEOSA-N 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CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CSc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000504499445 913291306 /nfs/dbraw/zinc/29/13/06/913291306.db2.gz SFGCBSPAVRSKIY-DCPHZVHLSA-N 0 0 408.523 4.045 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)c1C ZINC000504508232 913298707 /nfs/dbraw/zinc/29/87/07/913298707.db2.gz BLPSAJQREBVKTG-UHFFFAOYSA-N 0 0 403.442 4.022 20 30 HIEDRN COc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1Oc1ccc(C)nn1 ZINC000474166207 889004381 /nfs/dbraw/zinc/00/43/81/889004381.db2.gz ZHOAFIQMSZFVFZ-UHFFFAOYSA-N 0 0 400.438 4.128 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000474191769 889031110 /nfs/dbraw/zinc/03/11/10/889031110.db2.gz ALTWOTUYMGQOAB-UHFFFAOYSA-N 0 0 404.539 4.055 20 30 HIEDRN C=CCCC1(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000474199292 889037132 /nfs/dbraw/zinc/03/71/32/889037132.db2.gz QLURJQLIXQMDBZ-UHFFFAOYSA-N 0 0 406.454 4.451 20 30 HIEDRN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000474199390 889037993 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HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000504539678 913319006 /nfs/dbraw/zinc/31/90/06/913319006.db2.gz SBYXNAVHKYSEBG-DEOSSOPVSA-N 0 0 406.482 4.489 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)C2)n1 ZINC000474338972 889212865 /nfs/dbraw/zinc/21/28/65/889212865.db2.gz DTLMQHOBHMOSJX-PMVMPFDFSA-N 0 0 402.542 4.006 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O ZINC000474350722 889228202 /nfs/dbraw/zinc/22/82/02/889228202.db2.gz KYMVYMWBOZWUNG-UHFFFAOYSA-N 0 0 417.469 4.408 20 30 HIEDRN N#C[C@@H]1CN(CCCCc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000474395225 889264502 /nfs/dbraw/zinc/26/45/02/889264502.db2.gz TZLKOZWKEYVXTR-XMSQKQJNSA-N 0 0 413.443 4.374 20 30 HIEDRN N#Cc1ccc(Cl)cc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000474403602 889269715 /nfs/dbraw/zinc/26/97/15/889269715.db2.gz RLRBODXPSIGBMU-SFHVURJKSA-N 0 0 412.873 4.115 20 30 HIEDRN CC(C)C[C@]1(CO)CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000474477014 889338887 /nfs/dbraw/zinc/33/88/87/889338887.db2.gz LQXOLRNZKITQMD-DEOSSOPVSA-N 0 0 420.513 4.215 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000474488565 889348551 /nfs/dbraw/zinc/34/85/51/889348551.db2.gz HWALXXNSTMNCKN-IBGZPJMESA-N 0 0 418.541 4.472 20 30 HIEDRN CCO[C@H]1C[C@@](O)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1(C)C ZINC000474495570 889357042 /nfs/dbraw/zinc/35/70/42/889357042.db2.gz IGBATAMMMGGKOV-XUZZJYLKSA-N 0 0 423.513 4.347 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000474525474 889397427 /nfs/dbraw/zinc/39/74/27/889397427.db2.gz HMXQZVYUOLCDKF-QFBILLFUSA-N 0 0 409.452 4.480 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1c(F)cccc1OC(F)F ZINC000474535415 889409231 /nfs/dbraw/zinc/40/92/31/889409231.db2.gz RINDYZPVMZPRFH-UHFFFAOYSA-N 0 0 416.321 4.297 20 30 HIEDRN N#Cc1cc(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)ccn1 ZINC000474580832 889453160 /nfs/dbraw/zinc/45/31/60/889453160.db2.gz PSARDKCCMSQQNW-UHFFFAOYSA-N 0 0 401.466 4.121 20 30 HIEDRN C=C(C)COCCNC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000474614046 889479084 /nfs/dbraw/zinc/47/90/84/889479084.db2.gz NJHBRTLAHVIUFH-JOCHJYFZSA-N 0 0 407.514 4.378 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccn3ccnc3c2)cc1F ZINC000474615760 889480806 /nfs/dbraw/zinc/48/08/06/889480806.db2.gz GJLHQMSWCXQLQT-UHFFFAOYSA-N 0 0 401.401 4.459 20 30 HIEDRN COc1ccc(-c2cc(C(=O)N(C)CC#N)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000504591031 913350992 /nfs/dbraw/zinc/35/09/92/913350992.db2.gz SWYNTKFRJVBVAU-UHFFFAOYSA-N 0 0 411.465 4.000 20 30 HIEDRN CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000474631660 889494737 /nfs/dbraw/zinc/49/47/37/889494737.db2.gz TYNXRFZJSGZRQD-UHFFFAOYSA-N 0 0 424.457 4.055 20 30 HIEDRN N#C[C@]1(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCc2ccccc2C1 ZINC000474651373 889515432 /nfs/dbraw/zinc/51/54/32/889515432.db2.gz MYTLXRCAKRDMGL-NLFFAJNJSA-N 0 0 402.542 4.061 20 30 HIEDRN N#C[C@]1(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CCc2ccccc2C1 ZINC000474655160 889518347 /nfs/dbraw/zinc/51/83/47/889518347.db2.gz IZHQWXCALPNJTD-IBGZPJMESA-N 0 0 422.838 4.123 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000474670508 889535364 /nfs/dbraw/zinc/53/53/64/889535364.db2.gz GYDIWLHGCLKKEK-AWEZNQCLSA-N 0 0 401.923 4.441 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000474689843 889551676 /nfs/dbraw/zinc/55/16/76/889551676.db2.gz ALLXOSQRZARDHG-UHFFFAOYSA-N 0 0 411.303 4.329 20 30 HIEDRN COc1ccc(Cl)cc1CN1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474698453 889557525 /nfs/dbraw/zinc/55/75/25/889557525.db2.gz VWNGKXPPBGKWBQ-LJQANCHMSA-N 0 0 411.933 4.080 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(COC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000474699281 889559609 /nfs/dbraw/zinc/55/96/09/889559609.db2.gz RNVMIIBMNJCIQJ-OAHLLOKOSA-N 0 0 413.193 4.480 20 30 HIEDRN N#CCC[C@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000474735006 889589895 /nfs/dbraw/zinc/58/98/95/889589895.db2.gz JQCNMCLXDIVEFR-INIZCTEOSA-N 0 0 405.285 4.276 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-c4cccnc4)cc3)cc2C1=O ZINC000474746720 889602443 /nfs/dbraw/zinc/60/24/43/889602443.db2.gz GQCRZRJRQNQCPA-INIZCTEOSA-N 0 0 411.461 4.022 20 30 HIEDRN CSc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1Cl ZINC000474774428 889632303 /nfs/dbraw/zinc/63/23/03/889632303.db2.gz LLGKXTANMGXBMN-HNNXBMFYSA-N 0 0 400.935 4.492 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ncccc1Br ZINC000474780640 889638865 /nfs/dbraw/zinc/63/88/65/889638865.db2.gz QSKGDFUALVBNID-UHFFFAOYSA-N 0 0 409.243 4.464 20 30 HIEDRN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000474785098 889641391 /nfs/dbraw/zinc/64/13/91/889641391.db2.gz QDDRYMZKRFFWHI-BBRMVZONSA-N 0 0 420.307 4.144 20 30 HIEDRN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000474785100 889641853 /nfs/dbraw/zinc/64/18/53/889641853.db2.gz QDDRYMZKRFFWHI-CZUORRHYSA-N 0 0 420.307 4.144 20 30 HIEDRN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000504613495 913369548 /nfs/dbraw/zinc/36/95/48/913369548.db2.gz RPAVFFNISJEPBD-IBGZPJMESA-N 0 0 419.554 4.244 20 30 HIEDRN Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000474860146 889716306 /nfs/dbraw/zinc/71/63/06/889716306.db2.gz XMGYUCHGCHCPNK-QGZVFWFLSA-N 0 0 407.861 4.351 20 30 HIEDRN O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474879797 889735800 /nfs/dbraw/zinc/73/58/00/889735800.db2.gz OJGCFHFWFKEKQW-ZDUSSCGKSA-N 0 0 407.285 4.476 20 30 HIEDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000474887691 889744428 /nfs/dbraw/zinc/74/44/28/889744428.db2.gz AVLUMNIUHWEUEY-CABCVRRESA-N 0 0 407.905 4.244 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000474895280 889753144 /nfs/dbraw/zinc/75/31/44/889753144.db2.gz LYNZFZQMNVUYGS-UHFFFAOYSA-N 0 0 408.477 4.053 20 30 HIEDRN COCCOc1cccc(CCC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000474927763 889786884 /nfs/dbraw/zinc/78/68/84/889786884.db2.gz QZUNHMUXFGIMGT-UHFFFAOYSA-N 0 0 422.525 4.022 20 30 HIEDRN COc1c2ccccc2oc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000474934488 889792933 /nfs/dbraw/zinc/79/29/33/889792933.db2.gz PKWRCIFLAWBDNY-UHFFFAOYSA-N 0 0 402.406 4.415 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000474944470 889801114 /nfs/dbraw/zinc/80/11/14/889801114.db2.gz IUQYRJDDTGOFAN-INIZCTEOSA-N 0 0 410.905 4.027 20 30 HIEDRN Cc1ccc(NC(=O)N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1Cl ZINC000474952078 889807992 /nfs/dbraw/zinc/80/79/92/889807992.db2.gz YRVLYRXBAOGZNF-LJQANCHMSA-N 0 0 424.932 4.412 20 30 HIEDRN N#Cc1cccc([C@@H]2CN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)CCO2)c1 ZINC000474979908 889833642 /nfs/dbraw/zinc/83/36/42/889833642.db2.gz WYARKBHBTALYBD-UXHICEINSA-N 0 0 416.308 4.044 20 30 HIEDRN CC[C@H](CC#N)NC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000474998425 889850515 /nfs/dbraw/zinc/85/05/15/889850515.db2.gz AUWNXFAQBVTHRN-LSDHHAIUSA-N 0 0 416.913 4.167 20 30 HIEDRN CC[C@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 ZINC000475005866 889857487 /nfs/dbraw/zinc/85/74/87/889857487.db2.gz BWKIVAATDYDOBD-OAHLLOKOSA-N 0 0 401.488 4.086 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000475016452 889870003 /nfs/dbraw/zinc/87/00/03/889870003.db2.gz MIENEFKSRQDWFV-UHFFFAOYSA-N 0 0 414.303 4.009 20 30 HIEDRN Cc1cc(NC(=O)Nc2cc(Br)cc(OC(C)C)c2)nn1CCC#N ZINC000504657237 913398027 /nfs/dbraw/zinc/39/80/27/913398027.db2.gz BLMFSBXCZRCQED-UHFFFAOYSA-N 0 0 406.284 4.299 20 30 HIEDRN CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCc1ccc(C#N)cc1 ZINC000475098815 889945873 /nfs/dbraw/zinc/94/58/73/889945873.db2.gz CRMUXHOCZSOKPB-GOSISDBHSA-N 0 0 400.320 4.483 20 30 HIEDRN Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000475118763 889973322 /nfs/dbraw/zinc/97/33/22/889973322.db2.gz LLNABJPRKBLVJY-UHFFFAOYSA-N 0 0 412.453 4.139 20 30 HIEDRN CCn1c2nnc(CNc3ccccc3C#Cc3ccccc3)n2c2ccccc2c1=O ZINC000475170554 890035457 /nfs/dbraw/zinc/03/54/57/890035457.db2.gz BZWCWZKQAQGZGF-UHFFFAOYSA-N 0 0 419.488 4.076 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000475179938 890048507 /nfs/dbraw/zinc/04/85/07/890048507.db2.gz VCSHDDSCLIKIGP-KRWDZBQOSA-N 0 0 415.584 4.250 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000475182744 890051968 /nfs/dbraw/zinc/05/19/68/890051968.db2.gz HDZBXDYXNZFBOS-UHFFFAOYSA-N 0 0 416.525 4.194 20 30 HIEDRN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000475204628 890074931 /nfs/dbraw/zinc/07/49/31/890074931.db2.gz HRJVIIJZUNLCND-HNNXBMFYSA-N 0 0 419.510 4.010 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC000475231586 890103798 /nfs/dbraw/zinc/10/37/98/890103798.db2.gz FOTNQINGKHDWLI-UHFFFAOYSA-N 0 0 423.476 4.041 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000475262056 890154920 /nfs/dbraw/zinc/15/49/20/890154920.db2.gz FWQHRWGLHYFYJA-UHFFFAOYSA-N 0 0 403.482 4.448 20 30 HIEDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000475274541 890171958 /nfs/dbraw/zinc/17/19/58/890171958.db2.gz NNPCBVUPONPPJA-ROUUACIJSA-N 0 0 404.514 4.111 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000475299223 890206848 /nfs/dbraw/zinc/20/68/48/890206848.db2.gz QIJXSIQWOCLKOP-GHTZIAJQSA-N 0 0 400.563 4.435 20 30 HIEDRN C=CC1CCN(C(=O)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1 ZINC000475303313 890212050 /nfs/dbraw/zinc/21/20/50/890212050.db2.gz OLMKVGTYWARUGC-UHFFFAOYSA-N 0 0 404.297 4.419 20 30 HIEDRN Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1NC(=O)CN1CCCCC1 ZINC000475312448 890228193 /nfs/dbraw/zinc/22/81/93/890228193.db2.gz BEYUUJYEACIBDV-UHFFFAOYSA-N 0 0 418.541 4.473 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000475332926 890253103 /nfs/dbraw/zinc/25/31/03/890253103.db2.gz GHQWGKIYXYUZMR-OAQYLSRUSA-N 0 0 409.896 4.252 20 30 HIEDRN Cc1ccccc1-c1csc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)n1 ZINC000475333887 890253954 /nfs/dbraw/zinc/25/39/54/890253954.db2.gz IWCOAIWRVHUFRG-FQEVSTJZSA-N 0 0 416.506 4.120 20 30 HIEDRN Cn1cc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(-c2ccccc2)n1 ZINC000475342598 890264023 /nfs/dbraw/zinc/26/40/23/890264023.db2.gz NCGBKULDAQDFEJ-JOCHJYFZSA-N 0 0 405.933 4.123 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000475343664 890266196 /nfs/dbraw/zinc/26/61/96/890266196.db2.gz RDKLXXNHQOZLRD-FQEVSTJZSA-N 0 0 409.946 4.241 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cnc(C(F)(F)F)s2)CC1 ZINC000475350317 890274431 /nfs/dbraw/zinc/27/44/31/890274431.db2.gz YHOKSTIVCIGGEW-OAHLLOKOSA-N 0 0 400.857 4.198 20 30 HIEDRN N#CCCCOc1cccc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000475352520 890275932 /nfs/dbraw/zinc/27/59/32/890275932.db2.gz UWGLOEARORXIKG-HSZRJFAPSA-N 0 0 408.933 4.405 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000475363597 890290756 /nfs/dbraw/zinc/29/07/56/890290756.db2.gz WPXYQMANXXOKPY-VQTJNVASSA-N 0 0 401.470 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424.570 4.124 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1c(F)cc(F)cc1F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541139510 939474160 /nfs/dbraw/zinc/47/41/60/939474160.db2.gz HYIKJBMZEGQZHJ-CYBMUJFWSA-N 0 0 423.394 4.458 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C#N ZINC000541138989 939474237 /nfs/dbraw/zinc/47/42/37/939474237.db2.gz CDDVZGCYPPWFGR-QGZVFWFLSA-N 0 0 408.461 4.221 20 30 HIEDRN Cc1nnc(-c2ccccc2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)o1 ZINC000541144402 939475795 /nfs/dbraw/zinc/47/57/95/939475795.db2.gz DETMYDPJJANUEB-UHFFFAOYSA-N 0 0 404.817 4.008 20 30 HIEDRN CC(C)(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc2c(c1)OCCO2 ZINC000541144376 939475831 /nfs/dbraw/zinc/47/58/31/939475831.db2.gz DNQBRJKOHKBGLY-UHFFFAOYSA-N 0 0 422.872 4.085 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1 ZINC000541148094 939476229 /nfs/dbraw/zinc/47/62/29/939476229.db2.gz LJLXAMPTMOBLGG-YADHBBJMSA-N 0 0 419.529 4.417 20 30 HIEDRN C[C@H](NC(=O)N[C@H](CO)c1cccc(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541157607 939480207 /nfs/dbraw/zinc/48/02/07/939480207.db2.gz LQJZCNYYUBVINI-QMHKHESXSA-N 0 0 403.457 4.458 20 30 HIEDRN FC(F)(F)c1cc([C@H](NCCN2CCOCC2)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000541194676 939485117 /nfs/dbraw/zinc/48/51/17/939485117.db2.gz HQISFJVWRKEVDT-ZDUSSCGKSA-N 0 0 424.307 4.249 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCC2)n1cnc(C#N)n1 ZINC000541213837 939485936 /nfs/dbraw/zinc/48/59/36/939485936.db2.gz UGSHNXDFCLRKSR-LLVKDONJSA-N 0 0 420.523 4.176 20 30 HIEDRN CCCc1c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cnn1C1CCCC1 ZINC000541272483 939488705 /nfs/dbraw/zinc/48/87/05/939488705.db2.gz DNPRMHUJXONYAF-UHFFFAOYSA-N 0 0 421.545 4.337 20 30 HIEDRN Cc1ccnc(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c1C#N ZINC000541280052 939489076 /nfs/dbraw/zinc/48/90/76/939489076.db2.gz LXPSBTSRTYKDHP-FQEVSTJZSA-N 0 0 413.449 4.145 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)OC)c2c(F)cccc2Cl)nc2ccccc2c1=O ZINC000541281989 939489223 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HIEDRN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1nccs1 ZINC000541595597 939562550 /nfs/dbraw/zinc/56/25/50/939562550.db2.gz VBDBOFTYJPBEEG-SFHVURJKSA-N 0 0 411.506 4.241 20 30 HIEDRN C=CCN(C(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC)C1CC1 ZINC000541596271 939563052 /nfs/dbraw/zinc/56/30/52/939563052.db2.gz PPGRIPBXQRAILZ-UHFFFAOYSA-N 0 0 403.482 4.347 20 30 HIEDRN C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc([N+](=O)[O-])cc1F ZINC000541599478 939564037 /nfs/dbraw/zinc/56/40/37/939564037.db2.gz NQQODHXRFWGURB-LLVKDONJSA-N 0 0 413.796 4.187 20 30 HIEDRN N#Cc1c(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)sc2c1-c1ccccc1CC2 ZINC000541612848 939570866 /nfs/dbraw/zinc/57/08/66/939570866.db2.gz AWJOJXBQFCMJNA-INIZCTEOSA-N 0 0 417.490 4.200 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(Cc2cccnc2)C2CC2)c1C#N ZINC000563702051 945258261 /nfs/dbraw/zinc/25/82/61/945258261.db2.gz GRDRKAHXOMVFDJ-UHFFFAOYSA-N 0 0 405.546 4.480 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)NCc3nnc(-c4cccc(C#N)c4)o3)n2)cc1 ZINC000541687945 939603005 /nfs/dbraw/zinc/60/30/05/939603005.db2.gz ZVEZJUALLRBNHN-AWEZNQCLSA-N 0 0 400.442 4.071 20 30 HIEDRN C=CCc1cc(C(=O)N2CCC[C@@H](Oc3ccccc3OC)C2)cc(OC)c1OC ZINC000563703796 945259835 /nfs/dbraw/zinc/25/98/35/945259835.db2.gz UNASCSGIMLGJAC-LJQANCHMSA-N 0 0 411.498 4.125 20 30 HIEDRN Cc1ccc(-c2noc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1F ZINC000541688737 939603488 /nfs/dbraw/zinc/60/34/88/939603488.db2.gz COYCJZVHHPAZQD-IAGOWNOFSA-N 0 0 421.476 4.170 20 30 HIEDRN C=CCc1cc(C(=O)N2CCC[C@H](Oc3ccccc3OC)C2)cc(OC)c1OC ZINC000563703792 945259965 /nfs/dbraw/zinc/25/99/65/945259965.db2.gz UNASCSGIMLGJAC-IBGZPJMESA-N 0 0 411.498 4.125 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1Cl ZINC000541721421 939614320 /nfs/dbraw/zinc/61/43/20/939614320.db2.gz COXGTTXEJDEXOK-ZDUSSCGKSA-N 0 0 401.919 4.155 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000541735161 939616584 /nfs/dbraw/zinc/61/65/84/939616584.db2.gz XUYBSHRUAUTGTN-XLIONFOSSA-N 0 0 401.576 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ZINC000541968596 939665762 /nfs/dbraw/zinc/66/57/62/939665762.db2.gz ZYPJMHHTJSPNBI-UPCLLVRISA-N 0 0 418.497 4.031 20 30 HIEDRN C=CCn1c(SCC(=O)N2CCC(CC#N)CC2)nnc1-c1ccc(Cl)cc1 ZINC000541981960 939669714 /nfs/dbraw/zinc/66/97/14/939669714.db2.gz ASIZCXBDMBAXJV-UHFFFAOYSA-N 0 0 415.950 4.029 20 30 HIEDRN COc1ccc(-c2ncc(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)s2)cc1 ZINC000541997972 939675283 /nfs/dbraw/zinc/67/52/83/939675283.db2.gz FBNPSAPAJWCSFX-UHFFFAOYSA-N 0 0 419.441 4.267 20 30 HIEDRN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000541998872 939676230 /nfs/dbraw/zinc/67/62/30/939676230.db2.gz OUYRCYQMEYOIKM-UHFFFAOYSA-N 0 0 407.430 4.089 20 30 HIEDRN Cc1ccccc1Cc1nnc(CNc2ccn(-c3ccc(Cl)cc3C#N)n2)o1 ZINC000542005840 939682057 /nfs/dbraw/zinc/68/20/57/939682057.db2.gz RTRGARUEBNEALF-UHFFFAOYSA-N 0 0 404.861 4.292 20 30 HIEDRN CC(C)Cn1ncc2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cnc21 ZINC000542012273 939684772 /nfs/dbraw/zinc/68/47/72/939684772.db2.gz CVWGQMHUNDJERV-UHFFFAOYSA-N 0 0 419.876 4.050 20 30 HIEDRN Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nn1-c1ccc(C)cc1 ZINC000542017186 939687630 /nfs/dbraw/zinc/68/76/30/939687630.db2.gz DZLPFCSHGWHWNL-UHFFFAOYSA-N 0 0 416.872 4.452 20 30 HIEDRN COCCN(Cc1cccs1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542029879 939692523 /nfs/dbraw/zinc/69/25/23/939692523.db2.gz DKTTWHSEHWBHJE-UHFFFAOYSA-N 0 0 415.906 4.139 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ncc(-c3ccccc3)o2)n1 ZINC000542031216 939692923 /nfs/dbraw/zinc/69/29/23/939692923.db2.gz ADPSLTFMLXKFKR-UHFFFAOYSA-N 0 0 418.844 4.374 20 30 HIEDRN CC(C)Oc1ccc(CCNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000542031360 939693033 /nfs/dbraw/zinc/69/30/33/939693033.db2.gz DDYAHZGYMMBGTJ-UHFFFAOYSA-N 0 0 407.449 4.034 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)C3(c4ccccc4)CCOCC3)n2)c(Cl)c1 ZINC000542036754 939694879 /nfs/dbraw/zinc/69/48/79/939694879.db2.gz IGOUJSMJVPDORL-UHFFFAOYSA-N 0 0 406.873 4.084 20 30 HIEDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC000542040970 939696372 /nfs/dbraw/zinc/69/63/72/939696372.db2.gz HWIICBXIOBNCTF-SUMWQHHRSA-N 0 0 419.872 4.244 20 30 HIEDRN CCC(=O)c1ccc(OCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 ZINC000542050309 939699441 /nfs/dbraw/zinc/69/94/41/939699441.db2.gz BCZVAJXQSLPVAK-UHFFFAOYSA-N 0 0 408.845 4.008 20 30 HIEDRN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542059237 939701361 /nfs/dbraw/zinc/70/13/61/939701361.db2.gz ASAWBQIFAHKAHB-QZTJIDSGSA-N 0 0 403.526 4.487 20 30 HIEDRN C[C@H](CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)c1ccc(Cl)cc1 ZINC000542059987 939701552 /nfs/dbraw/zinc/70/15/52/939701552.db2.gz ANIVHXZNTMLLKN-CYBMUJFWSA-N 0 0 410.836 4.384 20 30 HIEDRN O=C(CCOCC(F)(F)F)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000542063858 939701857 /nfs/dbraw/zinc/70/18/57/939701857.db2.gz OBQNNXQVONCPFT-NSHDSACASA-N 0 0 413.236 4.274 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)cc2)CC1 ZINC000542064105 939701931 /nfs/dbraw/zinc/70/19/31/939701931.db2.gz ONWXXXROTZCARP-IBGZPJMESA-N 0 0 400.400 4.474 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542068819 939702301 /nfs/dbraw/zinc/70/23/01/939702301.db2.gz VROPWKDKYYGVKD-QGZVFWFLSA-N 0 0 408.461 4.221 20 30 HIEDRN C[C@H](NC(=O)NC[C@H](CO)Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542088788 939706642 /nfs/dbraw/zinc/70/66/42/939706642.db2.gz SAPLUTPIKKPMMW-PKOBYXMFSA-N 0 0 403.482 4.030 20 30 HIEDRN CCC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000542129241 939723651 /nfs/dbraw/zinc/72/36/51/939723651.db2.gz PFLFZZPVYGPNAJ-OAHLLOKOSA-N 0 0 405.479 4.358 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3nccnc3Sc3ccccc3)n2)c(F)c1 ZINC000542199175 939753655 /nfs/dbraw/zinc/75/36/55/939753655.db2.gz ICLADQDZNIMABC-UHFFFAOYSA-N 0 0 416.441 4.077 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3sc(-c4ccccc4)nc3C)cc2C1=O ZINC000542211019 939757963 /nfs/dbraw/zinc/75/79/63/939757963.db2.gz OIZVTPWYQOTEFQ-UHFFFAOYSA-N 0 0 403.463 4.153 20 30 HIEDRN C=CCn1c(SCC(=O)Cc2ccccc2Br)nnc1-c1ccco1 ZINC000542215860 939761269 /nfs/dbraw/zinc/76/12/69/939761269.db2.gz LAFKXZJAEFXYGG-UHFFFAOYSA-N 0 0 418.316 4.391 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000542220696 939762972 /nfs/dbraw/zinc/76/29/72/939762972.db2.gz SKIXUFDPKFPCLV-UHFFFAOYSA-N 0 0 417.465 4.426 20 30 HIEDRN N#CCCCNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2 ZINC000542226749 939764727 /nfs/dbraw/zinc/76/47/27/939764727.db2.gz OFVPPRAPSBLMOX-GHRIWEEISA-N 0 0 411.461 4.484 20 30 HIEDRN CN(Cc1cc(Br)cs1)C(=O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000542241628 939770913 /nfs/dbraw/zinc/77/09/13/939770913.db2.gz CIOLWJVZKREBBY-UHFFFAOYSA-N 0 0 418.360 4.005 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000542302616 939791722 /nfs/dbraw/zinc/79/17/22/939791722.db2.gz YNQGKODKQBUCKU-UHFFFAOYSA-N 0 0 409.486 4.411 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)cc1 ZINC000542324125 939800435 /nfs/dbraw/zinc/80/04/35/939800435.db2.gz OZVLMDBZYMRWIZ-QGZVFWFLSA-N 0 0 419.481 4.112 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]nc1-c1cccnc1 ZINC000542358094 939806986 /nfs/dbraw/zinc/80/69/86/939806986.db2.gz IEJAZVOPPIJRJJ-UHFFFAOYSA-N 0 0 409.449 4.483 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2cccc(I)c2)C2CC2)cc1 ZINC000542358540 939807000 /nfs/dbraw/zinc/80/70/00/939807000.db2.gz DQFFYFAGUDHUDR-UHFFFAOYSA-N 0 0 417.250 4.359 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C)cc1Br ZINC000542358783 939807027 /nfs/dbraw/zinc/80/70/27/939807027.db2.gz YFBYITNLWSUNCM-UHFFFAOYSA-N 0 0 404.264 4.298 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000542396862 939814197 /nfs/dbraw/zinc/81/41/97/939814197.db2.gz LERSJCVPAAOPQA-UHFFFAOYSA-N 0 0 404.348 4.118 20 30 HIEDRN CC(=O)NC1CCC(N(C)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000542399701 939814772 /nfs/dbraw/zinc/81/47/72/939814772.db2.gz ZSRWRLPVEJNLLU-UHFFFAOYSA-N 0 0 424.476 4.401 20 30 HIEDRN Cc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(OC[C@H]2CCCO2)c1 ZINC000542405723 939816124 /nfs/dbraw/zinc/81/61/24/939816124.db2.gz UBFPFQOTTDQNMY-HSZRJFAPSA-N 0 0 419.525 4.299 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000542424304 939819785 /nfs/dbraw/zinc/81/97/85/939819785.db2.gz JDRSSHKEJBYWQV-HXUWFJFHSA-N 0 0 417.513 4.126 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000542426650 939820595 /nfs/dbraw/zinc/82/05/95/939820595.db2.gz ABBIXBZPCXEOFR-HNAYVOBHSA-N 0 0 409.486 4.496 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000542436323 939822500 /nfs/dbraw/zinc/82/25/00/939822500.db2.gz IQXWQYLGZRIPPI-UHFFFAOYSA-N 0 0 420.517 4.323 20 30 HIEDRN C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000542514190 939835360 /nfs/dbraw/zinc/83/53/60/939835360.db2.gz BSPCBBUHRPFRKC-LBPRGKRZSA-N 0 0 410.430 4.395 20 30 HIEDRN C=CCn1c(Sc2nc(C)cc(C(F)(F)F)n2)nnc1-c1ccc(OC)cc1 ZINC000542520978 939836620 /nfs/dbraw/zinc/83/66/20/939836620.db2.gz PPFZUKHYTADHKH-UHFFFAOYSA-N 0 0 407.421 4.408 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3ccc4nc[nH]c4n3)cc2Cl)c1 ZINC000542604163 939847667 /nfs/dbraw/zinc/84/76/67/939847667.db2.gz XOWGFPUQZJGNEL-UHFFFAOYSA-N 0 0 403.829 4.314 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)c2nc(C3CCCCC3)no2)c1C ZINC000542615150 939848650 /nfs/dbraw/zinc/84/86/50/939848650.db2.gz QHWLRDBSRQTOPA-SFHVURJKSA-N 0 0 409.534 4.332 20 30 HIEDRN Cc1nccc(NCc2cccc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)c2)n1 ZINC000542651235 939851613 /nfs/dbraw/zinc/85/16/13/939851613.db2.gz BXISCTATLXEZPS-UHFFFAOYSA-N 0 0 401.470 4.308 20 30 HIEDRN Cc1nc(-c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s2)cs1 ZINC000542788432 939860747 /nfs/dbraw/zinc/86/07/47/939860747.db2.gz KFHBWOSTICNSRL-IBGZPJMESA-N 0 0 405.545 4.058 20 30 HIEDRN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000542838053 939862133 /nfs/dbraw/zinc/86/21/33/939862133.db2.gz ZLLFVPLHJJQFRF-GFCCVEGCSA-N 0 0 411.387 4.312 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000542838779 939862139 /nfs/dbraw/zinc/86/21/39/939862139.db2.gz JHIKZSPFHBBESJ-MRXNPFEDSA-N 0 0 407.424 4.119 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000542837961 939862154 /nfs/dbraw/zinc/86/21/54/939862154.db2.gz FSGDFRFTVDTWAT-UHFFFAOYSA-N 0 0 404.405 4.210 20 30 HIEDRN CCOc1ccc(-c2nc(C[S@](=O)CCCC3(C#N)CCOCC3)co2)cc1 ZINC000542857771 939863559 /nfs/dbraw/zinc/86/35/59/939863559.db2.gz DFGVMNJSZWVSTB-MUUNZHRXSA-N 0 0 402.516 4.090 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542924812 939878582 /nfs/dbraw/zinc/87/85/82/939878582.db2.gz UYIJDBBBGYSZFF-OAHLLOKOSA-N 0 0 421.423 4.430 20 30 HIEDRN Cc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)nn1-c1cccc(Cl)c1 ZINC000542928023 939879727 /nfs/dbraw/zinc/87/97/27/939879727.db2.gz NREKLWPEISIXBU-UHFFFAOYSA-N 0 0 420.835 4.283 20 30 HIEDRN Cc1nn(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000542929548 939880246 /nfs/dbraw/zinc/88/02/46/939880246.db2.gz AYGXRSQFAFOLJQ-OAHLLOKOSA-N 0 0 417.469 4.214 20 30 HIEDRN CCOc1ccc(-c2noc(CNc3ccn(-c4ccc(Cl)cc4C#N)n3)n2)cc1 ZINC000542934254 939881244 /nfs/dbraw/zinc/88/12/44/939881244.db2.gz LABBQRHJFPGJNU-UHFFFAOYSA-N 0 0 420.860 4.458 20 30 HIEDRN COC(=O)c1ccc(-c2nc(Cn3cc(C#N)c(=O)c4cc(Cl)ccc43)co2)cc1 ZINC000542934987 939881619 /nfs/dbraw/zinc/88/16/19/939881619.db2.gz WKRAFSFIZAJXOE-UHFFFAOYSA-N 0 0 419.824 4.016 20 30 HIEDRN CCOc1cccc(CNc2ccn(-c3ccc(C#N)cc3F)n2)c1OC(F)F ZINC000542946546 939883649 /nfs/dbraw/zinc/88/36/49/939883649.db2.gz RUFOTKRMHPODIY-UHFFFAOYSA-N 0 0 402.376 4.495 20 30 HIEDRN COc1ccc(C2(NC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)cc1 ZINC000542955449 939885333 /nfs/dbraw/zinc/88/53/33/939885333.db2.gz JNFOVNFDMKVCNA-UHFFFAOYSA-N 0 0 407.861 4.217 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCCOc3ccccc32)n1 ZINC000542960267 939886391 /nfs/dbraw/zinc/88/63/91/939886391.db2.gz VZWAPDRSDKHAIT-KRWDZBQOSA-N 0 0 407.861 4.433 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)n2)c(F)c1 ZINC000542960198 939886457 /nfs/dbraw/zinc/88/64/57/939886457.db2.gz QSTVNNOPTGWCJN-QFIPXVFZSA-N 0 0 412.428 4.189 20 30 HIEDRN COc1ccc(CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C2CC2)cc1 ZINC000542961496 939886679 /nfs/dbraw/zinc/88/66/79/939886679.db2.gz JYBDYMUXEGFGMT-UHFFFAOYSA-N 0 0 405.433 4.088 20 30 HIEDRN C[C@H](O)C[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccccc1 ZINC000542963685 939887283 /nfs/dbraw/zinc/88/72/83/939887283.db2.gz YRNPYGILVHRVTF-MAUKXSAKSA-N 0 0 423.904 4.074 20 30 HIEDRN Cn1cc([C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(C)(C)C)cn1 ZINC000542964947 939887441 /nfs/dbraw/zinc/88/74/41/939887441.db2.gz NGRWUURHXNABLL-SFHVURJKSA-N 0 0 411.897 4.040 20 30 HIEDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-] ZINC000542991912 939892456 /nfs/dbraw/zinc/89/24/56/939892456.db2.gz XWMWGPJXLLQHIY-AWEZNQCLSA-N 0 0 403.442 4.471 20 30 HIEDRN CCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542994968 939893016 /nfs/dbraw/zinc/89/30/16/939893016.db2.gz OHSZVAMICNJTDK-QGZVFWFLSA-N 0 0 413.477 4.440 20 30 HIEDRN Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1cccc(Cl)c1C#N ZINC000543031682 939899206 /nfs/dbraw/zinc/89/92/06/939899206.db2.gz PIBFHQBOEMNIBZ-UHFFFAOYSA-N 0 0 408.310 4.021 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000543046373 939908414 /nfs/dbraw/zinc/90/84/14/939908414.db2.gz LCAMXBCMVKIJCD-NKSUMMKUSA-N 0 0 417.512 4.175 20 30 HIEDRN Cn1cc(CN[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)nn1 ZINC000543052405 939910779 /nfs/dbraw/zinc/91/07/79/939910779.db2.gz KHTPWZKYBBGOKX-NSHDSACASA-N 0 0 406.252 4.246 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)c2nc(CC(=O)Nc3cccc4ccccc43)no2)cc1 ZINC000563750920 945283321 /nfs/dbraw/zinc/28/33/21/945283321.db2.gz OFFDQVZRVRWMTI-IBGZPJMESA-N 0 0 407.433 4.126 20 30 HIEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)c1ccn[nH]1 ZINC000543098376 939943674 /nfs/dbraw/zinc/94/36/74/939943674.db2.gz 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C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2ncon2)cc1 ZINC000409787828 855654153 /nfs/dbraw/zinc/65/41/53/855654153.db2.gz VNAWHMIVHGZJIH-UHFFFAOYSA-N 0 0 416.250 4.467 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cnn(-c4ccc(C(F)(F)F)cc4)c3)n2)c1 ZINC000409843944 855683520 /nfs/dbraw/zinc/68/35/20/855683520.db2.gz JVJUGJLFBNNHPD-UHFFFAOYSA-N 0 0 422.370 4.201 20 30 HIEDRN C=CCN(C(=O)CCOc1cc(C)cc(C)c1C)c1nc(C(=O)OCC)cs1 ZINC000409869317 855697666 /nfs/dbraw/zinc/69/76/66/855697666.db2.gz HPLPDAIOVLBUEM-UHFFFAOYSA-N 0 0 402.516 4.233 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H](c3cccc(F)c3F)C(F)(F)F)n2)c1 ZINC000409909273 855718705 /nfs/dbraw/zinc/71/87/05/855718705.db2.gz UFTCSGTWXMZXLC-QGZVFWFLSA-N 0 0 406.314 4.056 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)C3(c4ccccc4Cl)CCOCC3)CC2)cc1 ZINC000409930339 855729835 /nfs/dbraw/zinc/72/98/35/855729835.db2.gz GZPKHWMCQSXHSI-UHFFFAOYSA-N 0 0 424.928 4.330 20 30 HIEDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c(C(F)(F)F)c1 ZINC000437390637 862716099 /nfs/dbraw/zinc/71/60/99/862716099.db2.gz AIBBDGYLOJVFSD-NEPJUHHUSA-N 0 0 401.454 4.153 20 30 HIEDRN CCc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c2c(CC(C)(C)C)noc2n1 ZINC000409963971 855748694 /nfs/dbraw/zinc/74/86/94/855748694.db2.gz ZPXZFZKBQAUFHH-NTKDMRAZSA-N 0 0 424.545 4.441 20 30 HIEDRN C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000409985864 855762760 /nfs/dbraw/zinc/76/27/60/855762760.db2.gz ZUAGJKPKJQYGOF-RYUDHWBXSA-N 0 0 419.432 4.335 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1ccc(F)cc1 ZINC000409986525 855763735 /nfs/dbraw/zinc/76/37/35/855763735.db2.gz QOHLLSPYIRGYGG-UHFFFAOYSA-N 0 0 414.444 4.274 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000410006033 855775300 /nfs/dbraw/zinc/77/53/00/855775300.db2.gz WYVOCOWGSHOMQR-QGZVFWFLSA-N 0 0 418.497 4.142 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc1Cl ZINC000410021528 855783458 /nfs/dbraw/zinc/78/34/58/855783458.db2.gz NFAICAYEVGRNSZ-UHFFFAOYSA-N 0 0 408.845 4.056 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437391402 862720556 /nfs/dbraw/zinc/72/05/56/862720556.db2.gz BNUFPGHDMLIAPJ-SBUREZEXSA-N 0 0 423.513 4.404 20 30 HIEDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000410050779 855800578 /nfs/dbraw/zinc/80/05/78/855800578.db2.gz DQCJNSCFEDGTQG-INIZCTEOSA-N 0 0 418.449 4.210 20 30 HIEDRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C#N)cc2)c(Br)c1 ZINC000410084475 855812322 /nfs/dbraw/zinc/81/23/22/855812322.db2.gz DKFLHKHMIFRDGX-IBGZPJMESA-N 0 0 413.315 4.451 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)N[C@@H](CO)c3cccc(Cl)c3F)c2)c1 ZINC000410098418 855818930 /nfs/dbraw/zinc/81/89/30/855818930.db2.gz JAKPPMYTSHHQSW-NRFANRHFSA-N 0 0 424.859 4.393 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000410129554 855832013 /nfs/dbraw/zinc/83/20/13/855832013.db2.gz ZUXIQNSQZDOMEC-FOIQADDNSA-N 0 0 423.941 4.227 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCSC[C@@H]2c2ccccc2)ccc1C(F)(F)F ZINC000410129168 855832190 /nfs/dbraw/zinc/83/21/90/855832190.db2.gz GRHDKJDVCWPYBR-QGZVFWFLSA-N 0 0 412.458 4.056 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C(F)(F)F ZINC000410146310 855837707 /nfs/dbraw/zinc/83/77/07/855837707.db2.gz WDFDOMVYUVRUAB-PKOBYXMFSA-N 0 0 419.428 4.038 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C(F)(F)F ZINC000410146308 855837932 /nfs/dbraw/zinc/83/79/32/855837932.db2.gz WDFDOMVYUVRUAB-IEBWSBKVSA-N 0 0 419.428 4.038 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410261971 855887763 /nfs/dbraw/zinc/88/77/63/855887763.db2.gz ARFARSVIYIBGLA-QGZVFWFLSA-N 0 0 415.287 4.118 20 30 HIEDRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000410282041 855899948 /nfs/dbraw/zinc/89/99/48/855899948.db2.gz DYRYHQSJXFYTQL-QHCPKHFHSA-N 0 0 400.482 4.238 20 30 HIEDRN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000410283255 855900831 /nfs/dbraw/zinc/90/08/31/855900831.db2.gz LHVXIEYVRIMGLB-QFIPXVFZSA-N 0 0 400.482 4.238 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3CCC(N4CCc5ccccc54)CC3)cc2)nc1 ZINC000410306237 855918759 /nfs/dbraw/zinc/91/87/59/855918759.db2.gz JOTQUIFIWYGLIQ-UHFFFAOYSA-N 0 0 424.504 4.413 20 30 HIEDRN CCC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1 ZINC000437396281 862736252 /nfs/dbraw/zinc/73/62/52/862736252.db2.gz QYXOWIQDHWHNLN-UHFFFAOYSA-N 0 0 411.461 4.012 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cc2ccccc2s1 ZINC000410325203 855929367 /nfs/dbraw/zinc/92/93/67/855929367.db2.gz LFZQMVRHIVHHKI-OAHLLOKOSA-N 0 0 412.536 4.470 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000410364789 855952505 /nfs/dbraw/zinc/95/25/05/855952505.db2.gz MITOLTRITIPLBQ-UHFFFAOYSA-N 0 0 408.317 4.224 20 30 HIEDRN C=CCCc1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000410369968 855956089 /nfs/dbraw/zinc/95/60/89/855956089.db2.gz GRJYXSBDRLCAED-UHFFFAOYSA-N 0 0 407.539 4.484 20 30 HIEDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000410403187 855978193 /nfs/dbraw/zinc/97/81/93/855978193.db2.gz LEBRNTGLVKHCCL-UHFFFAOYSA-N 0 0 412.261 4.355 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)ccc1Oc1ccccc1 ZINC000425936613 856008761 /nfs/dbraw/zinc/00/87/61/856008761.db2.gz JHQMTDKUMUVKOD-UHFFFAOYSA-N 0 0 419.868 4.301 20 30 HIEDRN COc1cccc(CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]2CCCO2)c1 ZINC000437401351 862749445 /nfs/dbraw/zinc/74/94/45/862749445.db2.gz XISDHAXDHDLTII-FQEVSTJZSA-N 0 0 402.441 4.349 20 30 HIEDRN COCC1(C#N)CCN(C(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000425999511 856038897 /nfs/dbraw/zinc/03/88/97/856038897.db2.gz PHSAAGCFIRHHQD-KRWDZBQOSA-N 0 0 420.351 4.034 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000426074177 856088516 /nfs/dbraw/zinc/08/85/16/856088516.db2.gz CTJQOJLIRLXVCZ-RBBKRZOGSA-N 0 0 412.555 4.238 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC[C@@H]3CCO)cc2Cl)cc1 ZINC000426077147 856091066 /nfs/dbraw/zinc/09/10/66/856091066.db2.gz CWIPCQZPGRYCHA-INIZCTEOSA-N 0 0 417.918 4.336 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000426080024 856092954 /nfs/dbraw/zinc/09/29/54/856092954.db2.gz WRNBHUCYZSLYTH-IBGZPJMESA-N 0 0 406.368 4.164 20 30 HIEDRN C[C@@H](CCCC(F)(F)F)NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000426084110 856096132 /nfs/dbraw/zinc/09/61/32/856096132.db2.gz GNACRSVAQBVQBW-HNNXBMFYSA-N 0 0 419.451 4.059 20 30 HIEDRN C[C@@H](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1c[nH]c2ccccc21 ZINC000426108892 856112671 /nfs/dbraw/zinc/11/26/71/856112671.db2.gz JVBMSCWZLKXNFY-KRWDZBQOSA-N 0 0 414.509 4.410 20 30 HIEDRN C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc2N1C ZINC000426125318 856123536 /nfs/dbraw/zinc/12/35/36/856123536.db2.gz DOYUEJJIZZGZGH-HNNXBMFYSA-N 0 0 412.449 4.380 20 30 HIEDRN C[C@@H](CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1c[nH]c2ccccc21 ZINC000426129172 856126047 /nfs/dbraw/zinc/12/60/47/856126047.db2.gz QNDNILKUIFHGPV-YCRPNKLZSA-N 0 0 418.522 4.073 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426132559 856128145 /nfs/dbraw/zinc/12/81/45/856128145.db2.gz ZMEFKJXYINEZGR-UHFFFAOYSA-N 0 0 421.682 4.043 20 30 HIEDRN CCC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000437406835 862761897 /nfs/dbraw/zinc/76/18/97/862761897.db2.gz FEPYDWOHSAKGJG-AWEZNQCLSA-N 0 0 410.499 4.007 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c(Cl)c1 ZINC000426161572 856147655 /nfs/dbraw/zinc/14/76/55/856147655.db2.gz OAUHBKMDOUHLBR-MRXNPFEDSA-N 0 0 422.872 4.384 20 30 HIEDRN COc1cc(NC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cc(OC)c1 ZINC000426163527 856147732 /nfs/dbraw/zinc/14/77/32/856147732.db2.gz AOVZBLOZUDLGMB-UHFFFAOYSA-N 0 0 414.893 4.337 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000426178319 856157899 /nfs/dbraw/zinc/15/78/99/856157899.db2.gz KZLBNEFROOZAJF-UHFFFAOYSA-N 0 0 412.515 4.451 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cnn(CCC(C)C)c1CC)c1ccc(F)c(F)c1 ZINC000426218482 856182935 /nfs/dbraw/zinc/18/29/35/856182935.db2.gz DZNMHZQLYKZADW-HXUWFJFHSA-N 0 0 418.488 4.142 20 30 HIEDRN Cn1cc(-c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)c(C(F)(F)F)n1 ZINC000426256113 856204493 /nfs/dbraw/zinc/20/44/93/856204493.db2.gz NHOLUSFPUPTGIJ-UHFFFAOYSA-N 0 0 415.331 4.200 20 30 HIEDRN Cc1cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc(C)c1Br ZINC000426297351 856229836 /nfs/dbraw/zinc/22/98/36/856229836.db2.gz ZJVAUFNARQGWRI-KRWDZBQOSA-N 0 0 414.303 4.166 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@@H]1CCCOCC1)c1ccc2c(c1)OCO2 ZINC000426315483 856241408 /nfs/dbraw/zinc/24/14/08/856241408.db2.gz WGOOLJPDAHBGDA-GOSISDBHSA-N 0 0 409.482 4.330 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c[nH]cc3-c3ccccc3F)C2)c(F)c1 ZINC000426323824 856245342 /nfs/dbraw/zinc/24/53/42/856245342.db2.gz OCDLJBFOVDMGHC-MRXNPFEDSA-N 0 0 406.436 4.230 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCC(O)(CC)CC3)sc2C1 ZINC000426428480 856286248 /nfs/dbraw/zinc/28/62/48/856286248.db2.gz RWVAQPNBNAYIRQ-MRXNPFEDSA-N 0 0 417.619 4.336 20 30 HIEDRN COc1cccc(Cn2c(NC(=O)CNc3cccc(C#N)c3)nc3ccccc32)c1 ZINC000426443837 856293328 /nfs/dbraw/zinc/29/33/28/856293328.db2.gz FZWICLHOHGJQFJ-UHFFFAOYSA-N 0 0 411.465 4.015 20 30 HIEDRN COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C ZINC000426457945 856300815 /nfs/dbraw/zinc/30/08/15/856300815.db2.gz ZNAQDPBCZCEDPB-UHFFFAOYSA-N 0 0 417.465 4.430 20 30 HIEDRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000437418364 862785238 /nfs/dbraw/zinc/78/52/38/862785238.db2.gz KKNBQUBRKHGNOS-UHFFFAOYSA-N 0 0 414.465 4.302 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H](C)c1cccnc1 ZINC000426534788 856338060 /nfs/dbraw/zinc/33/80/60/856338060.db2.gz YFQWGGAUVSYSQH-QGZVFWFLSA-N 0 0 414.465 4.294 20 30 HIEDRN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426563687 856349850 /nfs/dbraw/zinc/34/98/50/856349850.db2.gz XVNXKEBIGWPZLT-MWTRTKDXSA-N 0 0 411.461 4.339 20 30 HIEDRN CC(C)COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1Cl ZINC000437418800 862788825 /nfs/dbraw/zinc/78/88/25/862788825.db2.gz NUNMBTRUCPKUBM-UHFFFAOYSA-N 0 0 406.269 4.477 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000426614266 856374085 /nfs/dbraw/zinc/37/40/85/856374085.db2.gz ABMYWNCXVYEDHU-MRXNPFEDSA-N 0 0 420.376 4.487 20 30 HIEDRN C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426659758 856398205 /nfs/dbraw/zinc/39/82/05/856398205.db2.gz ILVWRSONKXVNIY-MRXNPFEDSA-N 0 0 417.440 4.176 20 30 HIEDRN COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000426666057 856402040 /nfs/dbraw/zinc/40/20/40/856402040.db2.gz NLHFXBARTNEZEJ-MRXNPFEDSA-N 0 0 415.449 4.175 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3occc32)ccc1Oc1ccccc1 ZINC000426713359 856428271 /nfs/dbraw/zinc/42/82/71/856428271.db2.gz FLOALIOUCHSOCY-IBGZPJMESA-N 0 0 401.422 4.076 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000437421588 862796746 /nfs/dbraw/zinc/79/67/46/862796746.db2.gz OGEAPTYVTSKWKY-AWEZNQCLSA-N 0 0 401.919 4.438 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1OC ZINC000426752294 856455137 /nfs/dbraw/zinc/45/51/37/856455137.db2.gz CBBUFPOLBAQDJH-LPHOPBHVSA-N 0 0 412.324 4.146 20 30 HIEDRN Cc1nc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1 ZINC000426762471 856463907 /nfs/dbraw/zinc/46/39/07/856463907.db2.gz KNBBEHAZNQIDAL-QGZVFWFLSA-N 0 0 400.573 4.429 20 30 HIEDRN CC(C)CN(C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)C ZINC000437424274 862800813 /nfs/dbraw/zinc/80/08/13/862800813.db2.gz ISOOGEQLVOZZHB-UHFFFAOYSA-N 0 0 411.477 4.108 20 30 HIEDRN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000426795107 856482513 /nfs/dbraw/zinc/48/25/13/856482513.db2.gz WXAZJUPOIVSCFY-XMMPIXPASA-N 0 0 416.477 4.451 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000437428575 862802729 /nfs/dbraw/zinc/80/27/29/862802729.db2.gz OLECZWCBALLALK-WGSAOQKQSA-N 0 0 416.481 4.085 20 30 HIEDRN C=C[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2 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C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000437465337 862828080 /nfs/dbraw/zinc/82/80/80/862828080.db2.gz DHNMRTSWTOEDLD-QRFRQXIXSA-N 0 0 414.575 4.106 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(F)c(OC(F)F)cc2F)c1 ZINC000427259191 856740327 /nfs/dbraw/zinc/74/03/27/856740327.db2.gz FKCXMPSLUMSXJD-UHFFFAOYSA-N 0 0 412.339 4.098 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000427266116 856743139 /nfs/dbraw/zinc/74/31/39/856743139.db2.gz HEULFFVLKFLJGR-UHFFFAOYSA-N 0 0 403.438 4.324 20 30 HIEDRN COc1ccccc1-c1ncc(CNc2ncc(Cc3ccc(C#N)cc3)s2)cn1 ZINC000427279728 856749193 /nfs/dbraw/zinc/74/91/93/856749193.db2.gz GBZSOPKNXKRDSI-UHFFFAOYSA-N 0 0 413.506 4.683 20 30 HIEDRN CCCCCS(=O)(=O)CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437471419 862833442 /nfs/dbraw/zinc/83/34/42/862833442.db2.gz KRNXAHMXBGYANE-UHFFFAOYSA-N 0 0 404.463 4.033 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC[C@H]4CCC[C@@H]43)cc2Cl)c1 ZINC000427412919 856810263 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/nfs/dbraw/zinc/27/78/86/858277886.db2.gz JEVDOMLLAJMCKK-FGZHOGPDSA-N 0 0 416.550 4.345 20 30 HIEDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000437666241 863006262 /nfs/dbraw/zinc/00/62/62/863006262.db2.gz JGZKJWXMYLQISI-OAHLLOKOSA-N 0 0 413.319 4.231 20 30 HIEDRN N#Cc1ccccc1CSCCN1C(=O)N[C@@H](c2ccc3ccccc3c2)C1=O ZINC000430756801 858291913 /nfs/dbraw/zinc/29/19/13/858291913.db2.gz MVXXZPDRBLFYKE-NRFANRHFSA-N 0 0 401.491 4.238 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCc2c(F)cc(F)c(F)c2F)o1 ZINC000430794869 858307603 /nfs/dbraw/zinc/30/76/03/858307603.db2.gz CFUGBQNNDFUWSS-UHFFFAOYSA-N 0 0 404.319 4.217 20 30 HIEDRN O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1CC#Cc1cccc(C(F)(F)F)c1 ZINC000430798707 858308476 /nfs/dbraw/zinc/30/84/76/858308476.db2.gz JOMJKANBVTZTIB-FQEVSTJZSA-N 0 0 412.411 4.095 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n(Cc2ccccn2)n1 ZINC000430831626 858322245 /nfs/dbraw/zinc/32/22/45/858322245.db2.gz VLAQOUDHUFEDFU-UHFFFAOYSA-N 0 0 423.476 4.338 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)NCc1ccc(-c3ccccc3C#N)cc1)C[C@H](C)O2 ZINC000430886784 858354555 /nfs/dbraw/zinc/35/45/55/858354555.db2.gz URLQCPJVRPXGQU-HHJKRLRDSA-N 0 0 419.525 4.093 20 30 HIEDRN C[C@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000430901864 858361878 /nfs/dbraw/zinc/36/18/78/858361878.db2.gz WRDFDFNELQCBRV-WYEJZRMESA-N 0 0 419.525 4.266 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](OCCCc3ccccc3)C2)c1C ZINC000430908189 858364604 /nfs/dbraw/zinc/36/46/04/858364604.db2.gz HRPJKWUVZUXXIQ-XMMPIXPASA-N 0 0 419.569 4.274 20 30 HIEDRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(SCC#N)c2)cc1C ZINC000430949098 858379607 /nfs/dbraw/zinc/37/96/07/858379607.db2.gz BHUATKLXJCEGAL-LJQANCHMSA-N 0 0 411.552 4.073 20 30 HIEDRN O=C(NCc1c(F)cc(F)c(F)c1F)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000430956286 858382162 /nfs/dbraw/zinc/38/21/62/858382162.db2.gz NYPWOVGHSIKMHE-UHFFFAOYSA-N 0 0 424.320 4.005 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000430957318 858382220 /nfs/dbraw/zinc/38/22/20/858382220.db2.gz OFDYLEZISFWEJV-OTBHMBEGSA-N 0 0 422.504 4.418 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2c(F)cc(F)c(F)c2F)ccc1OCC(F)(F)F ZINC000430958912 858383262 /nfs/dbraw/zinc/38/32/62/858383262.db2.gz ZWWICHLRODJEBB-UHFFFAOYSA-N 0 0 421.272 4.377 20 30 HIEDRN C[C@H]1Sc2ccccc2N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1C ZINC000430999812 858399128 /nfs/dbraw/zinc/39/91/28/858399128.db2.gz NFUHFBKWKYEGQN-JKSUJKDBSA-N 0 0 403.511 4.072 20 30 HIEDRN COC(=O)COc1c(C)cc(C(=O)N(Cc2ccco2)c2ccccc2C#N)cc1C ZINC000437678520 863020069 /nfs/dbraw/zinc/02/00/69/863020069.db2.gz XBCRYAJDCARCGX-UHFFFAOYSA-N 0 0 418.449 4.167 20 30 HIEDRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)nc1 ZINC000431177247 858488509 /nfs/dbraw/zinc/48/85/09/858488509.db2.gz GQCQIZLFKRFIAK-OAQYLSRUSA-N 0 0 412.493 4.380 20 30 HIEDRN Cc1c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000431180877 858491242 /nfs/dbraw/zinc/49/12/42/858491242.db2.gz QHZXWHMPDXIVEJ-UHFFFAOYSA-N 0 0 418.247 4.334 20 30 HIEDRN Cc1ccc([C@H](NC(=O)c2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000437693294 863029498 /nfs/dbraw/zinc/02/94/98/863029498.db2.gz QRYKDFYIYQXWGD-OAQYLSRUSA-N 0 0 424.547 4.160 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000431188946 858495050 /nfs/dbraw/zinc/49/50/50/858495050.db2.gz BRZJRLWPUDONPG-UHFFFAOYSA-N 0 0 405.285 4.019 20 30 HIEDRN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000431195259 858498303 /nfs/dbraw/zinc/49/83/03/858498303.db2.gz XDAZOBMALKGHND-UHFFFAOYSA-N 0 0 409.442 4.059 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000431240551 858524943 /nfs/dbraw/zinc/52/49/43/858524943.db2.gz XZMCVVZZQCPEGL-SIFCLUCFSA-N 0 0 413.436 4.069 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)C2)c(F)c1 ZINC000437701899 863035901 /nfs/dbraw/zinc/03/59/01/863035901.db2.gz GZFMCESJZAQOBU-IHPCNDPISA-N 0 0 410.468 4.051 20 30 HIEDRN CCOC(=O)c1sc([C@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)nc1C ZINC000431292007 858550153 /nfs/dbraw/zinc/55/01/53/858550153.db2.gz ADCDKRZZKPJVEX-RDJZCZTQSA-N 0 0 414.531 4.424 20 30 HIEDRN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000431387990 858590633 /nfs/dbraw/zinc/59/06/33/858590633.db2.gz UBWXZTGYLVQIGN-VBKZILBWSA-N 0 0 411.502 4.210 20 30 HIEDRN COc1cccc2c1[C@H](C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)CC2 ZINC000431401406 858596800 /nfs/dbraw/zinc/59/68/00/858596800.db2.gz OOYIUFBSRVEZNT-MRXNPFEDSA-N 0 0 422.535 4.379 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431471340 858632015 /nfs/dbraw/zinc/63/20/15/858632015.db2.gz LCXRGXWUGOMVSD-QZTJIDSGSA-N 0 0 414.259 4.269 20 30 HIEDRN N#Cc1cnc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000431582597 858677203 /nfs/dbraw/zinc/67/72/03/858677203.db2.gz NBUPSPJDCAIKGM-HNNXBMFYSA-N 0 0 423.687 4.157 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000431622452 858695200 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COc1ccccc1-c1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431713420 858755735 /nfs/dbraw/zinc/75/57/35/858755735.db2.gz SRNNFUMDFKVDGO-KRWDZBQOSA-N 0 0 413.477 4.358 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000431713045 858755841 /nfs/dbraw/zinc/75/58/41/858755841.db2.gz RHWRBHBHLPPHDA-XMMPIXPASA-N 0 0 420.472 4.370 20 30 HIEDRN COc1cccc([C@@H](CNC(=O)c2ccc(C#N)o2)c2c[nH]c3ccccc32)c1OC ZINC000431718327 858760299 /nfs/dbraw/zinc/76/02/99/858760299.db2.gz CUTKBMFBUJWOLQ-LJQANCHMSA-N 0 0 415.449 4.212 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2cnn(Cc3ccccc3)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431738837 858777402 /nfs/dbraw/zinc/77/74/02/858777402.db2.gz XJUNKFHUERGKRH-CVDCTZTESA-N 0 0 414.509 4.054 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCCc1nccn1Cc1ccccc1)c1ccccc1 ZINC000431817044 858826372 /nfs/dbraw/zinc/82/63/72/858826372.db2.gz BLDYJICGCCWDJF-JOCHJYFZSA-N 0 0 401.514 4.208 20 30 HIEDRN CCN(CC)C(=O)c1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000431820086 858827064 /nfs/dbraw/zinc/82/70/64/858827064.db2.gz ALSYAUIDPSBCML-QFIPXVFZSA-N 0 0 406.530 4.403 20 30 HIEDRN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cccc(C#N)c1C ZINC000431830312 858831035 /nfs/dbraw/zinc/83/10/35/858831035.db2.gz AHSJDXHNWGYISV-UHFFFAOYSA-N 0 0 401.260 4.239 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000431862893 858844119 /nfs/dbraw/zinc/84/41/19/858844119.db2.gz ZVUPXAKAXLJREN-UHFFFAOYSA-N 0 0 411.527 4.072 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc4c3OCCCO4)c2)cc1 ZINC000431895970 858860375 /nfs/dbraw/zinc/86/03/75/858860375.db2.gz JLDULAMJFNZZAM-UHFFFAOYSA-N 0 0 400.434 4.442 20 30 HIEDRN COc1cccc(N2CC[C@@H](CNC(=O)N[C@@H](CCCC#N)c3ccccc3)C2)c1 ZINC000431903767 858863522 /nfs/dbraw/zinc/86/35/22/858863522.db2.gz VOGVBLXDEQVLCF-CVDCTZTESA-N 0 0 406.530 4.256 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCCO[C@H]2c2ccc(C)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431944739 858881363 /nfs/dbraw/zinc/88/13/63/858881363.db2.gz ZBANBZGDOGVABU-VJBWXMMDSA-N 0 0 404.510 4.277 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000431956670 858886920 /nfs/dbraw/zinc/88/69/20/858886920.db2.gz DKUHWBUKUSPEPT-JOCHJYFZSA-N 0 0 411.461 4.112 20 30 HIEDRN Cc1cc(C)c(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(Br)c1 ZINC000431960659 858889278 /nfs/dbraw/zinc/88/92/78/858889278.db2.gz OCXYNTHOGHFCFH-UHFFFAOYSA-N 0 0 413.319 4.292 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(=O)[nH]c3)cc2)cc1 ZINC000431971944 858895676 /nfs/dbraw/zinc/89/56/76/858895676.db2.gz METPESJLHLEETL-IRLDBZIGSA-N 0 0 416.437 4.103 20 30 HIEDRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@@H](CCCC#N)c3ccccc3)C2)c1 ZINC000431975418 858898096 /nfs/dbraw/zinc/89/80/96/858898096.db2.gz XGOHLAUUYHOPLF-XXBNENTESA-N 0 0 422.529 4.017 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000431994674 858911766 /nfs/dbraw/zinc/91/17/66/858911766.db2.gz KUOKBGBYVVUSLX-SFHVURJKSA-N 0 0 403.404 4.338 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000432021032 858934445 /nfs/dbraw/zinc/93/44/45/858934445.db2.gz RSFYGGZYIXNYCI-UHFFFAOYSA-N 0 0 402.498 4.024 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432027072 858936516 /nfs/dbraw/zinc/93/65/16/858936516.db2.gz PTBXNOINFMYWQF-OAQYLSRUSA-N 0 0 421.451 4.188 20 30 HIEDRN COc1cc2c(c(OC)c1OC)CCN(c1c(C#N)cnc3c(C)cc(F)cc31)CC2 ZINC000432057758 858955567 /nfs/dbraw/zinc/95/55/67/858955567.db2.gz QAQOQWXDNYNAKB-UHFFFAOYSA-N 0 0 421.472 4.185 20 30 HIEDRN Cc1ccc(CN(CCO)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)o1 ZINC000432072119 858969207 /nfs/dbraw/zinc/96/92/07/858969207.db2.gz PHCJTKHAOAVUAU-UHFFFAOYSA-N 0 0 419.481 4.374 20 30 HIEDRN C=CCCOCCNC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000432076100 858971629 /nfs/dbraw/zinc/97/16/29/858971629.db2.gz GITGPMSEMKVOLV-QGZVFWFLSA-N 0 0 400.441 4.160 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1NCc1cccc(N2CCOCC2)c1 ZINC000432162753 859024763 /nfs/dbraw/zinc/02/47/63/859024763.db2.gz LRTUGTQCYGKRIW-UHFFFAOYSA-N 0 0 423.314 4.318 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NCc2ccn(C3CCCC3)n2)CC1 ZINC000432163138 859024904 /nfs/dbraw/zinc/02/49/04/859024904.db2.gz PVZHNSITDPKKBF-UHFFFAOYSA-N 0 0 407.518 4.059 20 30 HIEDRN CC[C@@H](c1ccccc1)N1CC(=O)N(C2CCC(Oc3ncccc3C#N)CC2)C1=O ZINC000432207018 859046214 /nfs/dbraw/zinc/04/62/14/859046214.db2.gz UEGIDJLIAABTSN-CBNMVNINSA-N 0 0 418.497 4.059 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000432264530 859075192 /nfs/dbraw/zinc/07/51/92/859075192.db2.gz MSRGXFJEZWSHFY-UHFFFAOYSA-N 0 0 417.296 4.163 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1C#N ZINC000432268759 859077376 /nfs/dbraw/zinc/07/73/76/859077376.db2.gz OZZQOEYSWMORTR-UHFFFAOYSA-N 0 0 404.470 4.292 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000432292343 859088668 /nfs/dbraw/zinc/08/86/68/859088668.db2.gz UCMOBCBFCGFCDW-MRXNPFEDSA-N 0 0 405.502 4.006 20 30 HIEDRN CCn1cc(-c2ccc(OCC(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)nn1 ZINC000432300642 859092440 /nfs/dbraw/zinc/09/24/40/859092440.db2.gz FYCBDPVPHXDAID-INIZCTEOSA-N 0 0 421.526 4.377 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000432335985 859108191 /nfs/dbraw/zinc/10/81/91/859108191.db2.gz LOFYZOZJDTZSAY-GOSISDBHSA-N 0 0 424.476 4.036 20 30 HIEDRN N#Cc1ccc2c(c1)N(C(=O)c1cc(F)cc3c(=O)c4cccc(F)c4[nH]c13)CC2 ZINC000432351757 859115817 /nfs/dbraw/zinc/11/58/17/859115817.db2.gz QLVDWVHSJZMCBV-UHFFFAOYSA-N 0 0 401.372 4.034 20 30 HIEDRN C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nc2ccccc2c1=O ZINC000432356381 859118066 /nfs/dbraw/zinc/11/80/66/859118066.db2.gz CTWGZGPHINUPDW-UHFFFAOYSA-N 0 0 404.495 4.157 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000432396868 859143654 /nfs/dbraw/zinc/14/36/54/859143654.db2.gz VWDXVYHGLBFGGR-UHFFFAOYSA-N 0 0 409.383 4.294 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000432407091 859149963 /nfs/dbraw/zinc/14/99/63/859149963.db2.gz KFBPJXJDBCJOCH-UHFFFAOYSA-N 0 0 418.476 4.001 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1 ZINC000432469281 859179229 /nfs/dbraw/zinc/17/92/29/859179229.db2.gz CPDAPIKUJSYUDG-NRFANRHFSA-N 0 0 400.438 4.431 20 30 HIEDRN Cc1ccc(C)c(OC2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000432486096 859188326 /nfs/dbraw/zinc/18/83/26/859188326.db2.gz RLLMAGQYXQSALP-UHFFFAOYSA-N 0 0 419.525 4.354 20 30 HIEDRN C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ncc(Br)cn1 ZINC000432524200 859207906 /nfs/dbraw/zinc/20/79/06/859207906.db2.gz QDMTXQWTQHXIPV-XJKSGUPXSA-N 0 0 402.296 4.034 20 30 HIEDRN CCOc1cc2c(cc1NC(=O)CCCC(=O)Nc1ccccc1C#N)O[C@@H](C)C2 ZINC000432533895 859213840 /nfs/dbraw/zinc/21/38/40/859213840.db2.gz HXAIVRUASOGEFE-HNNXBMFYSA-N 0 0 407.470 4.028 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000432584487 859240767 /nfs/dbraw/zinc/24/07/67/859240767.db2.gz PCEPMSJNHQKNMC-UHFFFAOYSA-N 0 0 401.466 4.489 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cnn(Cc2ccccc2)c1 ZINC000432653409 859275175 /nfs/dbraw/zinc/27/51/75/859275175.db2.gz AUEIKLZHWQJBFY-KRWDZBQOSA-N 0 0 406.511 4.343 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)cc(F)c1 ZINC000432734446 859326973 /nfs/dbraw/zinc/32/69/73/859326973.db2.gz SMFAZKQBXHRILH-UHFFFAOYSA-N 0 0 407.239 4.185 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000432767775 859347806 /nfs/dbraw/zinc/34/78/06/859347806.db2.gz IWBVEZSSARXGRK-MRXNPFEDSA-N 0 0 414.303 4.426 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000432838790 859381923 /nfs/dbraw/zinc/38/19/23/859381923.db2.gz HQXSFWYGWSOFBB-SFHVURJKSA-N 0 0 402.281 4.417 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000432839700 859382362 /nfs/dbraw/zinc/38/23/62/859382362.db2.gz NJHWVGDEFNDVCB-UHFFFAOYSA-N 0 0 402.903 4.245 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000432839695 859383004 /nfs/dbraw/zinc/38/30/04/859383004.db2.gz NHADRUHTMUSAPF-SFHVURJKSA-N 0 0 402.281 4.417 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000432852391 859389009 /nfs/dbraw/zinc/38/90/09/859389009.db2.gz QPNQQKUIJKNFQY-INIZCTEOSA-N 0 0 424.501 4.033 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000432886205 859408613 /nfs/dbraw/zinc/40/86/13/859408613.db2.gz NUZOYSVUQDOKEO-IERDGZPVSA-N 0 0 410.539 4.451 20 30 HIEDRN Cn1cc(-c2nc3ccccn3c2NC(=O)N[C@H](CCCC#N)c2ccccc2)cn1 ZINC000433017960 859480705 /nfs/dbraw/zinc/48/07/05/859480705.db2.gz DONXTLDHPZBZMQ-LJQANCHMSA-N 0 0 413.485 4.291 20 30 HIEDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000433018144 859480723 /nfs/dbraw/zinc/48/07/23/859480723.db2.gz FGLAXDCBEACCFB-IBGZPJMESA-N 0 0 408.502 4.344 20 30 HIEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000433030763 859489332 /nfs/dbraw/zinc/48/93/32/859489332.db2.gz GVQKRVIJCWGGJK-IBGZPJMESA-N 0 0 408.502 4.344 20 30 HIEDRN Cc1cnc(C2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)s1 ZINC000433136248 859535423 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N#Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccc(Oc3ccccc3)c(F)c2)c1 ZINC000433461508 859714238 /nfs/dbraw/zinc/71/42/38/859714238.db2.gz VHJBEWDAAMLCCJ-UHFFFAOYSA-N 0 0 424.453 4.043 20 30 HIEDRN CC(C)Oc1ccc(Br)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433483638 859725592 /nfs/dbraw/zinc/72/55/92/859725592.db2.gz KWPLZHYUANNWQF-CQSZACIVSA-N 0 0 420.332 4.387 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(F)c1 ZINC000433521629 859752637 /nfs/dbraw/zinc/75/26/37/859752637.db2.gz VJMWWKBIKZFFJW-FQEVSTJZSA-N 0 0 407.832 4.195 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c(F)c1 ZINC000433525857 859756197 /nfs/dbraw/zinc/75/61/97/859756197.db2.gz RZLVWFPTAYWSRK-HXUWFJFHSA-N 0 0 407.832 4.195 20 30 HIEDRN COc1cc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1Cl ZINC000433604326 859805821 /nfs/dbraw/zinc/80/58/21/859805821.db2.gz QTLUJAVYEZXRQP-HNNXBMFYSA-N 0 0 402.857 4.150 20 30 HIEDRN COc1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1Cl ZINC000433622244 859813833 /nfs/dbraw/zinc/81/38/33/859813833.db2.gz ANBXUVSJFCBEDU-UHFFFAOYSA-N 0 0 412.877 4.103 20 30 HIEDRN C[C@H]1CC2(CCC2)CN1C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000433652307 859824881 /nfs/dbraw/zinc/82/48/81/859824881.db2.gz CMCQURVIOMUFDA-SFHVURJKSA-N 0 0 417.509 4.061 20 30 HIEDRN COc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1Cl ZINC000433656412 859826702 /nfs/dbraw/zinc/82/67/02/859826702.db2.gz MRRCMJQOGQKQOR-UHFFFAOYSA-N 0 0 400.866 4.127 20 30 HIEDRN CCCc1c(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cnn1-c1ccccc1C ZINC000433662652 859829148 /nfs/dbraw/zinc/82/91/48/859829148.db2.gz YRHOFQAOQITWIA-UHFFFAOYSA-N 0 0 421.888 4.236 20 30 HIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)c2)C1 ZINC000433680655 859836230 /nfs/dbraw/zinc/83/62/30/859836230.db2.gz QURQCMYEBNQYPL-VGOFRKELSA-N 0 0 417.509 4.181 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](Nc3ccc(Cl)cc3NC(=O)c3ccco3)C2=O)cc1 ZINC000433694303 859840279 /nfs/dbraw/zinc/84/02/79/859840279.db2.gz MZDLZKFDAKSHRH-SFHVURJKSA-N 0 0 420.856 4.274 20 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859868251 /nfs/dbraw/zinc/86/82/51/859868251.db2.gz BTDNYYDJKRIMFJ-JOCHJYFZSA-N 0 0 414.440 4.167 20 30 HIEDRN C=CCOc1ccc(OCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)cc1 ZINC000433742355 859869677 /nfs/dbraw/zinc/86/96/77/859869677.db2.gz NFFNJRKEQFAKLX-UHFFFAOYSA-N 0 0 404.369 4.490 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)Cc2cc(Br)ccc2F)cc1 ZINC000433772009 859886683 /nfs/dbraw/zinc/88/66/83/859886683.db2.gz WJWIHCKWFLHONL-UHFFFAOYSA-N 0 0 405.267 4.476 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000467682206 881474378 /nfs/dbraw/zinc/47/43/78/881474378.db2.gz WIVNVUOFJUMNQK-KNQAVFIVSA-N 0 0 407.489 4.119 20 30 HIEDRN CCCOc1cccc(CCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000433806842 859903274 /nfs/dbraw/zinc/90/32/74/859903274.db2.gz ZJOLWERFERSNPK-UHFFFAOYSA-N 0 0 407.514 4.143 20 30 HIEDRN Cn1cc(-c2cc(F)ccc2NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000433814680 859908693 /nfs/dbraw/zinc/90/86/93/859908693.db2.gz WZQNESDQBDJDNM-UHFFFAOYSA-N 0 0 401.445 4.419 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cn1)c1cccc(Cl)c1Cl ZINC000433854780 859935783 /nfs/dbraw/zinc/93/57/83/859935783.db2.gz XXOCEYSONWUOEH-ZDUSSCGKSA-N 0 0 404.175 4.324 20 30 HIEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000433870751 859944351 /nfs/dbraw/zinc/94/43/51/859944351.db2.gz RVIRXZRGAYEOKP-UHFFFAOYSA-N 0 0 422.407 4.066 20 30 HIEDRN C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@@H](c2ccco2)C1 ZINC000433872365 859945678 /nfs/dbraw/zinc/94/56/78/859945678.db2.gz JANDREJMQCQMAF-MLGOLLRUSA-N 0 0 409.305 4.076 20 30 HIEDRN Cc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)noc1-c1ccccc1F ZINC000433905490 859962207 /nfs/dbraw/zinc/96/22/07/859962207.db2.gz BMMKAZTUVUIXJK-UHFFFAOYSA-N 0 0 402.429 4.982 20 30 HIEDRN Cc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)noc1-c1ccccc1F ZINC000433906411 859962531 /nfs/dbraw/zinc/96/25/31/859962531.db2.gz FNXARUOHZGVARD-UHFFFAOYSA-N 0 0 420.444 4.736 20 30 HIEDRN Cc1nc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)ccc1C#N ZINC000433948527 859996486 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Cc1c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000434022745 860046377 /nfs/dbraw/zinc/04/63/77/860046377.db2.gz BKVPWZFYOGRAIM-KRWDZBQOSA-N 0 0 401.308 4.098 20 30 HIEDRN Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c12 ZINC000434027136 860048696 /nfs/dbraw/zinc/04/86/96/860048696.db2.gz JNGTWPWSMLVFLG-LJQANCHMSA-N 0 0 414.513 4.156 20 30 HIEDRN C[C@H](Nc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1[N+](=O)[O-])c1ccccn1 ZINC000434029956 860051095 /nfs/dbraw/zinc/05/10/95/860051095.db2.gz FDEQBRPYWGEWBY-MGPUTAFESA-N 0 0 407.474 4.317 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434033294 860053006 /nfs/dbraw/zinc/05/30/06/860053006.db2.gz WDLIWXDZCMMUHO-UHFFFAOYSA-N 0 0 412.367 4.077 20 30 HIEDRN COC(=O)COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Cl ZINC000434062583 860073168 /nfs/dbraw/zinc/07/31/68/860073168.db2.gz LETWGKHXSUZKFK-UHFFFAOYSA-N 0 0 415.877 4.206 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc(F)ccc1Br ZINC000434094017 860098995 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HIEDRN C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(OCc2ccccc2)c1 ZINC000434752901 860482359 /nfs/dbraw/zinc/48/23/59/860482359.db2.gz AHHXPZCTWYLKOM-QGZVFWFLSA-N 0 0 424.497 4.457 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000434795668 860497661 /nfs/dbraw/zinc/49/76/61/860497661.db2.gz QOZRFQXVBNNODD-KRWDZBQOSA-N 0 0 411.571 4.447 20 30 HIEDRN Cc1ccc(-c2cccc(CNC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)c2)cc1 ZINC000434812939 860505012 /nfs/dbraw/zinc/50/50/12/860505012.db2.gz ICNMIOUPAILZPE-UHFFFAOYSA-N 0 0 414.509 4.345 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Sc2nnc(-c3cccs3)n2C2CC2)C1=O ZINC000434814565 860505734 /nfs/dbraw/zinc/50/57/34/860505734.db2.gz OLBVZDNUJKUKEH-AWEZNQCLSA-N 0 0 413.553 4.172 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000434855468 860524259 /nfs/dbraw/zinc/52/42/59/860524259.db2.gz LBSIZILVYASNSP-UHFFFAOYSA-N 0 0 422.529 4.081 20 30 HIEDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434856049 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C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)c1 ZINC000439352084 864794991 /nfs/dbraw/zinc/79/49/91/864794991.db2.gz OVSISWBPLLAXKS-UHFFFAOYSA-N 0 0 410.804 4.474 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000439354496 864796496 /nfs/dbraw/zinc/79/64/96/864796496.db2.gz HIJWXAKYWBGOGG-UHFFFAOYSA-N 0 0 409.486 4.203 20 30 HIEDRN CCCc1c(NC(=O)N2CCCC[C@H]2c2ccnn2C)cnn1-c1cccc(C#N)c1 ZINC000439369172 864804841 /nfs/dbraw/zinc/80/48/41/864804841.db2.gz IUXKBNPDTMZTER-QFIPXVFZSA-N 0 0 417.517 4.189 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2Br)c1 ZINC000439371789 864806781 /nfs/dbraw/zinc/80/67/81/864806781.db2.gz QEWBRZWELXHTQM-UHFFFAOYSA-N 0 0 403.276 4.290 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(F)ccc2Br)c1 ZINC000439376866 864808957 /nfs/dbraw/zinc/80/89/57/864808957.db2.gz UOHRDVSKQYGMAB-UHFFFAOYSA-N 0 0 407.239 4.120 20 30 HIEDRN COc1cc(F)c(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F ZINC000439385122 864813184 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CCCc1c(NC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)cnn1-c1cccc(C#N)c1 ZINC000439700155 865036895 /nfs/dbraw/zinc/03/68/95/865036895.db2.gz GMHLGEBHBMZNKS-GMAHTHKFSA-N 0 0 407.518 4.023 20 30 HIEDRN CCCc1c(NC(=O)N2CCO[C@H](c3cccs3)C2)cnn1-c1cccc(C#N)c1 ZINC000439703480 865041230 /nfs/dbraw/zinc/04/12/30/865041230.db2.gz QAFQWCCBQGLHTR-FQEVSTJZSA-N 0 0 421.526 4.363 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000439849053 865159959 /nfs/dbraw/zinc/15/99/59/865159959.db2.gz GJGBSJQKYPYYKZ-UHFFFAOYSA-N 0 0 400.916 4.916 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)c1ccc(F)c(F)c1 ZINC000439852136 865162278 /nfs/dbraw/zinc/16/22/78/865162278.db2.gz BTKWCUMTTZHTOK-LJQANCHMSA-N 0 0 421.875 4.052 20 30 HIEDRN CC(C)c1nnc2n1CCN(C(=O)c1cccc(OCc3ccccc3C#N)c1)[C@@H]2C ZINC000439867261 865174084 /nfs/dbraw/zinc/17/40/84/865174084.db2.gz RHKZHSGMBGTYRM-QGZVFWFLSA-N 0 0 415.497 4.069 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000439888750 865201731 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402.429 4.250 20 30 HIEDRN CCCc1c(NC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 ZINC000440091584 865353467 /nfs/dbraw/zinc/35/34/67/865353467.db2.gz LGZRXHIXVGWYSP-HXOBKFHXSA-N 0 0 402.498 4.108 20 30 HIEDRN CCCc1c(NC(=O)c2cn(CC(F)(F)F)nc2C)cnn1-c1cccc(C#N)c1 ZINC000440092570 865353851 /nfs/dbraw/zinc/35/38/51/865353851.db2.gz PPWKJWHLCVNDNZ-UHFFFAOYSA-N 0 0 416.407 4.016 20 30 HIEDRN CCCc1c(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)cnn1-c1cccc(C#N)c1 ZINC000440092410 865354082 /nfs/dbraw/zinc/35/40/82/865354082.db2.gz OPGNVIKUUNBBQY-INIZCTEOSA-N 0 0 402.502 4.425 20 30 HIEDRN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000440093934 865355920 /nfs/dbraw/zinc/35/59/20/865355920.db2.gz CVNXVLISQPASMB-PKOBYXMFSA-N 0 0 407.539 4.426 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC000440093812 865356093 /nfs/dbraw/zinc/35/60/93/865356093.db2.gz IAGDWLLWOMESOF-UHFFFAOYSA-N 0 0 403.442 4.419 20 30 HIEDRN CCCc1c(NC(=O)CCc2ccc(OC)c(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440100969 865360079 /nfs/dbraw/zinc/36/00/79/865360079.db2.gz SIITYFQITUGKPU-UHFFFAOYSA-N 0 0 418.497 4.285 20 30 HIEDRN CC(C)c1nnc2n1CCN(C(=O)c1cccc(COc3ccccc3C#N)c1)[C@@H]2C ZINC000440150735 865381519 /nfs/dbraw/zinc/38/15/19/865381519.db2.gz NAUJHJPCCBTWDX-QGZVFWFLSA-N 0 0 415.497 4.069 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(CCO)C1CCC1 ZINC000440155940 865386254 /nfs/dbraw/zinc/38/62/54/865386254.db2.gz FMLNADQHYRYCMG-UHFFFAOYSA-N 0 0 413.543 4.012 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 ZINC000440225724 865459845 /nfs/dbraw/zinc/45/98/45/865459845.db2.gz GPYOLIFTNOZKIU-UHFFFAOYSA-N 0 0 400.438 4.252 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000440234441 865469437 /nfs/dbraw/zinc/46/94/37/865469437.db2.gz ACHHVNDGDCPCAB-UHFFFAOYSA-N 0 0 415.449 4.032 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000440234802 865469668 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865854824 /nfs/dbraw/zinc/85/48/24/865854824.db2.gz MUYPCNKMFPLTKC-UHFFFAOYSA-N 0 0 412.291 4.119 20 30 HIEDRN COc1cc(CNCc2cc(Br)ccc2Br)ccc1C#N ZINC000440647562 865855541 /nfs/dbraw/zinc/85/55/41/865855541.db2.gz OEQAMVGBIKORDN-UHFFFAOYSA-N 0 0 410.109 4.382 20 30 HIEDRN CC1(C)CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@]2(CCCOC2)O1 ZINC000440649807 865856357 /nfs/dbraw/zinc/85/63/57/865856357.db2.gz ZOQRKUDMTIQDMN-HXUWFJFHSA-N 0 0 416.319 4.033 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000440650216 865856680 /nfs/dbraw/zinc/85/66/80/865856680.db2.gz SEJKEUPWFCCPMN-CYBMUJFWSA-N 0 0 423.318 4.179 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCOC2(CCOCC2)C1 ZINC000440661776 865859200 /nfs/dbraw/zinc/85/92/00/865859200.db2.gz KHVHUKGMZTXTJF-AWEZNQCLSA-N 0 0 402.292 4.009 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCC(c2nncn2C2CC2)CC1 ZINC000440662469 865859319 /nfs/dbraw/zinc/85/93/19/865859319.db2.gz FWAJJNRFCRDLNQ-UHFFFAOYSA-N 0 0 423.318 4.179 20 30 HIEDRN C=CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@H](Cc1ccccc1)C(=O)OCC ZINC000440664889 865859811 /nfs/dbraw/zinc/85/98/11/865859811.db2.gz ZJZHDHCXVWUOKM-OAQYLSRUSA-N 0 0 417.509 4.014 20 30 HIEDRN CCC(CC)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000440668393 865860722 /nfs/dbraw/zinc/86/07/22/865860722.db2.gz VKJMDASPQGXHAI-UHFFFAOYSA-N 0 0 406.526 4.481 20 30 HIEDRN Cn1ccnc1CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440679865 865863708 /nfs/dbraw/zinc/86/37/08/865863708.db2.gz ZEOXOOSZMQBQAQ-UHFFFAOYSA-N 0 0 410.319 4.062 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccsc3)c3cccnc3)C2)n1 ZINC000440725110 865876228 /nfs/dbraw/zinc/87/62/28/865876228.db2.gz DLVZKLRXNXRFSL-HXUWFJFHSA-N 0 0 417.538 4.168 20 30 HIEDRN N#Cc1ccc(CN(CCOc2ccc(C#N)cc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000440724426 865876547 /nfs/dbraw/zinc/87/65/47/865876547.db2.gz KLUNXAQZLNFIRY-UHFFFAOYSA-N 0 0 409.449 4.097 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440748082 865887283 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N#C[C@@H]1N(C(=O)COC(c2ccccc2)c2ccccc2)CCC[C@]12CCCCO2 ZINC000468121123 881956690 /nfs/dbraw/zinc/95/66/90/881956690.db2.gz OAJZZIFONJRHMR-WIOPSUGQSA-N 0 0 404.510 4.246 20 30 HIEDRN CCCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000441179211 866257254 /nfs/dbraw/zinc/25/72/54/866257254.db2.gz UXKTVFFJDLUCAW-MOPGFXCFSA-N 0 0 417.575 4.073 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441261582 866337017 /nfs/dbraw/zinc/33/70/17/866337017.db2.gz NQFHMAUNNWMPEW-MRXNPFEDSA-N 0 0 424.526 4.450 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CCC[C@]12CCCCO2 ZINC000468131257 881976030 /nfs/dbraw/zinc/97/60/30/881976030.db2.gz IKUNYKSVOGDBFE-IEBWSBKVSA-N 0 0 407.392 4.134 20 30 HIEDRN COc1cc(CNCc2ccc(Cl)cc2I)ccc1C#N ZINC000441331188 866401925 /nfs/dbraw/zinc/40/19/25/866401925.db2.gz GYGUIUYVOHLECH-UHFFFAOYSA-N 0 0 412.658 4.115 20 30 HIEDRN CC(C)(C#N)CCC[S@](=O)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441366488 866435635 /nfs/dbraw/zinc/43/56/35/866435635.db2.gz FAVAAZBEKRCLST-DEOSSOPVSA-N 0 0 406.349 4.485 20 30 HIEDRN Cc1noc(C)c1CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1c(C)noc1C ZINC000441402954 866477063 /nfs/dbraw/zinc/47/70/63/866477063.db2.gz PGMTWTUMTSSIGO-UHFFFAOYSA-N 0 0 418.457 4.020 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000441415504 866489600 /nfs/dbraw/zinc/48/96/00/866489600.db2.gz OLZHSDAXJVUTJT-QFIPXVFZSA-N 0 0 415.541 4.370 20 30 HIEDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000441430230 866507065 /nfs/dbraw/zinc/50/70/65/866507065.db2.gz QUSSMQZDDRBTER-JLTOFOAXSA-N 0 0 416.506 4.060 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000441443450 866520111 /nfs/dbraw/zinc/52/01/11/866520111.db2.gz UWZCGHLOXQAUQF-ZOCZFRKYSA-N 0 0 407.539 4.459 20 30 HIEDRN CCN(CC)c1nc2sc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)cc2s1 ZINC000468135970 881984976 /nfs/dbraw/zinc/98/49/76/881984976.db2.gz IZSFCCOTYTUIAD-UZLBHIALSA-N 0 0 418.588 4.271 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441459082 866534461 /nfs/dbraw/zinc/53/44/61/866534461.db2.gz ADAXPBYHIBANEY-NRFANRHFSA-N 0 0 423.467 4.155 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CCNC2=O)cc1C ZINC000441481249 866562297 /nfs/dbraw/zinc/56/22/97/866562297.db2.gz MVGNEWJUTPFJPH-UHFFFAOYSA-N 0 0 419.403 4.361 20 30 HIEDRN CC[C@H]1Cc2ccccc2CN1C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000441487060 866569181 /nfs/dbraw/zinc/56/91/81/866569181.db2.gz OFYUWKQJQVCRJI-LPHOPBHVSA-N 0 0 407.539 4.383 20 30 HIEDRN C=CCC[C@H](NC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441530207 866605669 /nfs/dbraw/zinc/60/56/69/866605669.db2.gz DNDLIKCUEIWEEQ-KEYYUXOJSA-N 0 0 420.497 4.176 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441530111 866606275 /nfs/dbraw/zinc/60/62/75/866606275.db2.gz CRPFJTJEOBFMEY-GOSISDBHSA-N 0 0 411.468 4.223 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCN(CC(F)F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441531914 866607854 /nfs/dbraw/zinc/60/78/54/866607854.db2.gz DAYHISHUXAKXSS-INIZCTEOSA-N 0 0 405.411 4.305 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCC(CC(=O)NC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441534385 866610747 /nfs/dbraw/zinc/61/07/47/866610747.db2.gz PWADGXCEVWNCHF-GOSISDBHSA-N 0 0 411.468 4.270 20 30 HIEDRN C=CCC[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000441552166 866626883 /nfs/dbraw/zinc/62/68/83/866626883.db2.gz OZFUVWODQMEFFW-SFHVURJKSA-N 0 0 415.415 4.239 20 30 HIEDRN C=CCC[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 ZINC000441560335 866635928 /nfs/dbraw/zinc/63/59/28/866635928.db2.gz WKRSFAKKIFCNKX-OAHLLOKOSA-N 0 0 416.241 4.488 20 30 HIEDRN C=CCC[C@@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)c1ccc(C(F)(F)F)cc1 ZINC000441561550 866637640 /nfs/dbraw/zinc/63/76/40/866637640.db2.gz DRIFUIPZMXKDRN-MRXNPFEDSA-N 0 0 422.451 4.349 20 30 HIEDRN C=CCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(C(F)(F)F)cc1 ZINC000441566773 866646538 /nfs/dbraw/zinc/64/65/38/866646538.db2.gz NPOMASCTMRTFTA-INIZCTEOSA-N 0 0 404.388 4.474 20 30 HIEDRN C=CCC[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(C(F)(F)F)cc1 ZINC000441569654 866652689 /nfs/dbraw/zinc/65/26/89/866652689.db2.gz SFDKSPYLETWEOH-INIZCTEOSA-N 0 0 403.408 4.197 20 30 HIEDRN C=CCC[C@@H](NC(=O)c1nn(C)c2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000441575882 866660705 /nfs/dbraw/zinc/66/07/05/866660705.db2.gz XWEMQEXTMDAXOG-QGZVFWFLSA-N 0 0 415.415 4.390 20 30 HIEDRN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441580883 866668183 /nfs/dbraw/zinc/66/81/83/866668183.db2.gz OHBGOGZFAGSQBE-DJJJIMSYSA-N 0 0 415.415 4.345 20 30 HIEDRN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000441580830 866669064 /nfs/dbraw/zinc/66/90/64/866669064.db2.gz JXVZDSYMQKJCBO-KKSFZXQISA-N 0 0 407.539 4.461 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1C(F)(F)F ZINC000441590705 866681221 /nfs/dbraw/zinc/68/12/21/866681221.db2.gz NWCXKCYOXXREHG-OAHLLOKOSA-N 0 0 423.391 4.008 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCC(F)F ZINC000441626314 866727164 /nfs/dbraw/zinc/72/71/64/866727164.db2.gz PIKRXWOZFXSQAU-ZDUSSCGKSA-N 0 0 406.458 4.441 20 30 HIEDRN CCOc1ccccc1CN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000441626462 866727196 /nfs/dbraw/zinc/72/71/96/866727196.db2.gz XXBRBDKKSANNOU-MRXNPFEDSA-N 0 0 412.921 4.349 20 30 HIEDRN CCN(CCC1CC1)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000441663706 866782610 /nfs/dbraw/zinc/78/26/10/866782610.db2.gz BIANUTFHLMWXKG-UHFFFAOYSA-N 0 0 405.498 4.033 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000441675308 866800105 /nfs/dbraw/zinc/80/01/05/866800105.db2.gz PTOKZUGRNBKUES-UHFFFAOYSA-N 0 0 414.465 4.123 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[C@@H]2c2ccccc2)cc1F ZINC000441709754 866815780 /nfs/dbraw/zinc/81/57/80/866815780.db2.gz ACPLCKFCYATIDB-HXUWFJFHSA-N 0 0 415.424 4.402 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC000441742655 866830891 /nfs/dbraw/zinc/83/08/91/866830891.db2.gz YORHVTUVWVRWHN-MJGOQNOKSA-N 0 0 415.415 4.358 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000441759149 866838654 /nfs/dbraw/zinc/83/86/54/866838654.db2.gz GLMSRDNPVNYPLC-UZUQRXQVSA-N 0 0 422.533 4.036 20 30 HIEDRN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000441784084 866856563 /nfs/dbraw/zinc/85/65/63/866856563.db2.gz FBWRUEVMJWSCHY-GXTWGEPZSA-N 0 0 417.387 4.080 20 30 HIEDRN COc1ccc([C@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2ccc(C)cc2)cc1 ZINC000441796177 866865798 /nfs/dbraw/zinc/86/57/98/866865798.db2.gz ORCJXZSUUMLSIY-HSZRJFAPSA-N 0 0 413.477 4.028 20 30 HIEDRN CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441811339 866875074 /nfs/dbraw/zinc/87/50/74/866875074.db2.gz BJFFNOXKQZGULY-OALUTQOASA-N 0 0 415.415 4.310 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000441824024 866884413 /nfs/dbraw/zinc/88/44/13/866884413.db2.gz MZYJOKNVECGJOT-NUJGCVRESA-N 0 0 411.527 4.470 20 30 HIEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](c2ccco2)C1 ZINC000441828934 866889227 /nfs/dbraw/zinc/88/92/27/866889227.db2.gz OJVSZYAZNVVJDD-WBMJQRKESA-N 0 0 405.376 4.108 20 30 HIEDRN N#Cc1ccc(CC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)cc1 ZINC000468159004 882024999 /nfs/dbraw/zinc/02/49/99/882024999.db2.gz VOVOIVGKCALWRE-UHFFFAOYSA-N 0 0 413.315 4.071 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1C(F)(F)F ZINC000441847907 866908802 /nfs/dbraw/zinc/90/88/02/866908802.db2.gz NUANULBAPTXVRT-GOSISDBHSA-N 0 0 419.378 4.312 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccccc1COc1ccccc1 ZINC000441865410 866930990 /nfs/dbraw/zinc/93/09/90/866930990.db2.gz CALJBBHRWFRKCK-UHFFFAOYSA-N 0 0 404.466 4.054 20 30 HIEDRN Cc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441866287 866933665 /nfs/dbraw/zinc/93/36/65/866933665.db2.gz RQQCFZYKGXDXRY-SFHVURJKSA-N 0 0 415.415 4.058 20 30 HIEDRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H](C)C1 ZINC000441868112 866935221 /nfs/dbraw/zinc/93/52/21/866935221.db2.gz UZDRMOKBGCYSJF-VCBZYWHSSA-N 0 0 409.461 4.369 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)Nc3nc4c(s3)CCCCCC4)CC2)cc1 ZINC000441915776 866981054 /nfs/dbraw/zinc/98/10/54/866981054.db2.gz FDMAVRMZJQMLQE-UHFFFAOYSA-N 0 0 423.586 4.414 20 30 HIEDRN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000441931745 866996252 /nfs/dbraw/zinc/99/62/52/866996252.db2.gz XMTQYVYOBITKQS-WMZOPIPTSA-N 0 0 405.498 4.224 20 30 HIEDRN COc1cc(C(C)=O)ccc1S[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000441945765 867010940 /nfs/dbraw/zinc/01/09/40/867010940.db2.gz BZBVWHXZOQGZHD-OAHLLOKOSA-N 0 0 400.475 4.464 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441998369 867053191 /nfs/dbraw/zinc/05/31/91/867053191.db2.gz GNKNQEKSSMOAPC-IUODEOHRSA-N 0 0 419.378 4.059 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N(CC(F)F)CC3CCC3)cc2)cc1 ZINC000442004145 867058852 /nfs/dbraw/zinc/05/88/52/867058852.db2.gz QEGWNUQVRQYJLO-UHFFFAOYSA-N 0 0 413.424 4.183 20 30 HIEDRN C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000442012027 867065620 /nfs/dbraw/zinc/06/56/20/867065620.db2.gz NIGYNCOCGOFRKW-MSOLQXFVSA-N 0 0 405.498 4.113 20 30 HIEDRN N#Cc1cc(NC(=O)NC2CCN(c3ccccc3)CC2)ccc1OC(F)(F)F ZINC000442048134 867083909 /nfs/dbraw/zinc/08/39/09/867083909.db2.gz ZQCPLZWMZUTUHU-UHFFFAOYSA-N 0 0 404.392 4.247 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)ccc1OC(F)(F)F ZINC000442050952 867085121 /nfs/dbraw/zinc/08/51/21/867085121.db2.gz DTOMZPYQHKKEAA-UHFFFAOYSA-N 0 0 421.379 4.129 20 30 HIEDRN N#Cc1cc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)ccc1OC(F)(F)F ZINC000442054057 867087661 /nfs/dbraw/zinc/08/76/61/867087661.db2.gz IVJYLOCCXOYNBW-UHFFFAOYSA-N 0 0 423.366 4.423 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c1C#N ZINC000442059703 867092529 /nfs/dbraw/zinc/09/25/29/867092529.db2.gz JFIQLPLVNRTDRF-JOCHJYFZSA-N 0 0 401.441 4.045 20 30 HIEDRN Cc1c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cnn1CCC(C)C ZINC000442072700 867103012 /nfs/dbraw/zinc/10/30/12/867103012.db2.gz GXYBVAUNBNOBKL-OAHLLOKOSA-N 0 0 423.542 4.317 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1OC)c1ccc(C(F)(F)F)cc1 ZINC000442082054 867111717 /nfs/dbraw/zinc/11/17/17/867111717.db2.gz TVPMOZFYHVZRCZ-INIZCTEOSA-N 0 0 406.404 4.476 20 30 HIEDRN N#Cc1cc(NC(=O)NCCCn2cnc3ccccc32)ccc1OC(F)(F)F ZINC000442085240 867114910 /nfs/dbraw/zinc/11/49/10/867114910.db2.gz RYZVCBVMLOPMTP-UHFFFAOYSA-N 0 0 403.364 4.018 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000442102189 867126956 /nfs/dbraw/zinc/12/69/56/867126956.db2.gz WDMSSUMUVHQMRL-GOSISDBHSA-N 0 0 401.388 4.339 20 30 HIEDRN CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000442122962 867145323 /nfs/dbraw/zinc/14/53/23/867145323.db2.gz GIXRTCAOHMWNNC-QUCCMNQESA-N 0 0 423.538 4.422 20 30 HIEDRN CCCN(CCc1cccs1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000442159666 867181187 /nfs/dbraw/zinc/18/11/87/867181187.db2.gz GQBJYJPGJDFFEY-UHFFFAOYSA-N 0 0 409.433 4.058 20 30 HIEDRN C=CCCN(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000468183673 882058224 /nfs/dbraw/zinc/05/82/24/882058224.db2.gz QKUZFLASQOYNRL-UHFFFAOYSA-N 0 0 403.265 4.442 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000442197861 867220449 /nfs/dbraw/zinc/22/04/49/867220449.db2.gz WIBYWVZZOLRVIH-QZTJIDSGSA-N 0 0 407.470 4.249 20 30 HIEDRN C=CCC[C@H](C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)c1ccccc1 ZINC000442203472 867226504 /nfs/dbraw/zinc/22/65/04/867226504.db2.gz CMAXSKJQTWRMJO-NRFANRHFSA-N 0 0 407.514 4.088 20 30 HIEDRN C=CCCN(C)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000468185754 882062379 /nfs/dbraw/zinc/06/23/79/882062379.db2.gz HPTZQJRXYJMFMX-UHFFFAOYSA-N 0 0 406.404 4.371 20 30 HIEDRN COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CCO2 ZINC000442225974 867255393 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HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(CCO)Cc1ccccc1 ZINC000460784834 873642705 /nfs/dbraw/zinc/64/27/05/873642705.db2.gz UFBGVIZMIHDEOL-GOTSBHOMSA-N 0 0 418.541 4.098 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000460787442 873646640 /nfs/dbraw/zinc/64/66/40/873646640.db2.gz QRTIJFPNWZTPSW-QFIPXVFZSA-N 0 0 404.514 4.367 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCc2c(Br)cccc2C1 ZINC000460788643 873648969 /nfs/dbraw/zinc/64/89/69/873648969.db2.gz HRHNXTHDYYOAKO-KBXCAEBGSA-N 0 0 417.351 4.277 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@H](SC)C1 ZINC000460788364 873649313 /nfs/dbraw/zinc/64/93/13/873649313.db2.gz HHOOHXUKIZNLKN-KRWDZBQOSA-N 0 0 402.564 4.164 20 30 HIEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000460789846 873652560 /nfs/dbraw/zinc/65/25/60/873652560.db2.gz BRUIZCKVTSDKSL-OAHLLOKOSA-N 0 0 404.584 4.078 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000460790026 873652977 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CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCOC1 ZINC000461524257 874607920 /nfs/dbraw/zinc/60/79/20/874607920.db2.gz QFSQDJKHQBSNCL-KRWDZBQOSA-N 0 0 401.942 4.401 20 30 HIEDRN CCN(C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(C#N)cc1 ZINC000461536858 874624182 /nfs/dbraw/zinc/62/41/82/874624182.db2.gz YENBOPLTPFRCHF-OALUTQOASA-N 0 0 419.525 4.393 20 30 HIEDRN C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)c2ccccc21 ZINC000461555898 874646523 /nfs/dbraw/zinc/64/65/23/874646523.db2.gz DQPPNGFNAHYICK-MJGOQNOKSA-N 0 0 415.497 4.020 20 30 HIEDRN CC(C)CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461561468 874655018 /nfs/dbraw/zinc/65/50/18/874655018.db2.gz FOETUCFSXJMXOH-SFTDATJTSA-N 0 0 423.561 4.170 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC1 ZINC000461562519 874656728 /nfs/dbraw/zinc/65/67/28/874656728.db2.gz UIJCUUJIVJVIAG-FQEVSTJZSA-N 0 0 424.570 4.168 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCOC1 ZINC000461580901 874688089 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415.541 4.229 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461600393 874728533 /nfs/dbraw/zinc/72/85/33/874728533.db2.gz HNALMCPHUGERFW-DOTOQJQBSA-N 0 0 423.467 4.329 20 30 HIEDRN C=CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC1)C1CC1 ZINC000461604853 874739952 /nfs/dbraw/zinc/73/99/52/874739952.db2.gz QTKRQMAUOAWWSL-JKSUJKDBSA-N 0 0 402.926 4.263 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(C(C)(C)c2ccccc2)n1C[C@@H]1CCOC1 ZINC000461610054 874752568 /nfs/dbraw/zinc/75/25/68/874752568.db2.gz LLJKYWMJQBMOOL-FQEVSTJZSA-N 0 0 409.578 4.407 20 30 HIEDRN COc1ccc([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 ZINC000461611767 874753786 /nfs/dbraw/zinc/75/37/86/874753786.db2.gz DNFRAQCNDLABIL-MJGOQNOKSA-N 0 0 417.513 4.059 20 30 HIEDRN COc1ccc([C@@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 ZINC000461611766 874754467 /nfs/dbraw/zinc/75/44/67/874754467.db2.gz DNFRAQCNDLABIL-IEBWSBKVSA-N 0 0 417.513 4.059 20 30 HIEDRN Cc1csc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1I 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CC[C@@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461813119 874930882 /nfs/dbraw/zinc/93/08/82/874930882.db2.gz VYOMDZGGLRAGHY-CTNGQTDRSA-N 0 0 409.534 4.067 20 30 HIEDRN CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000461814702 874933345 /nfs/dbraw/zinc/93/33/45/874933345.db2.gz YQUDWZHAMYNUEM-UGKGYDQZSA-N 0 0 423.561 4.314 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCCO2)n1C[C@H]1CCCCO1 ZINC000461817246 874938251 /nfs/dbraw/zinc/93/82/51/874938251.db2.gz DLRLFKOHKGCOBI-QUCCMNQESA-N 0 0 400.498 4.030 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCO1 ZINC000461817244 874939078 /nfs/dbraw/zinc/93/90/78/874939078.db2.gz DLRLFKOHKGCOBI-AZUAARDMSA-N 0 0 400.498 4.030 20 30 HIEDRN C=CCN(C(=O)c1cc(-c2ccccc2)ns1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468829134 882879631 /nfs/dbraw/zinc/87/96/31/882879631.db2.gz CZJNMFICRHJZFP-MRXNPFEDSA-N 0 0 416.510 4.175 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCO2)CCCC1(C)C ZINC000461824410 874951007 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Cc1cccc(Br)c1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000464293675 877480728 /nfs/dbraw/zinc/48/07/28/877480728.db2.gz ZOQWRFFNESQLST-UHFFFAOYSA-N 0 0 414.303 4.144 20 30 HIEDRN CN1CC[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1=O ZINC000464293252 877480754 /nfs/dbraw/zinc/48/07/54/877480754.db2.gz IBHPLTTZIBSJIU-ZDUSSCGKSA-N 0 0 417.387 4.176 20 30 HIEDRN COc1cc(C(=O)N[C@@H](C#N)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464295664 877484252 /nfs/dbraw/zinc/48/42/52/877484252.db2.gz OEJHSBAQPQJAJD-AWEZNQCLSA-N 0 0 403.822 4.327 20 30 HIEDRN CC(C)[C@H](C#N)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC000464298884 877485997 /nfs/dbraw/zinc/48/59/97/877485997.db2.gz WSEQUQXJGMNAAF-NSHDSACASA-N 0 0 421.757 4.155 20 30 HIEDRN N#Cc1ccc(Br)c(CN[C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503264532 912244869 /nfs/dbraw/zinc/24/48/69/912244869.db2.gz BNMBWUNYAGYCCP-FQEVSTJZSA-N 0 0 408.299 4.014 20 30 HIEDRN CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464348075 877539331 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HIEDRN Cc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)c(OCC(F)(F)F)c1 ZINC000466607146 880377282 /nfs/dbraw/zinc/37/72/82/880377282.db2.gz KXDREQSFOOSTLM-UHFFFAOYSA-N 0 0 422.407 4.335 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000466608880 880379420 /nfs/dbraw/zinc/37/94/20/880379420.db2.gz QKZKFJLTLCXDQN-GOSISDBHSA-N 0 0 400.866 4.023 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000466611088 880381590 /nfs/dbraw/zinc/38/15/90/880381590.db2.gz SBNPPVSVENRMCH-FUHWJXTLSA-N 0 0 418.856 4.208 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000466614273 880385030 /nfs/dbraw/zinc/38/50/30/880385030.db2.gz QGHHDVYQPWKSOI-UHFFFAOYSA-N 0 0 420.498 4.385 20 30 HIEDRN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)CC3 ZINC000466614487 880385506 /nfs/dbraw/zinc/38/55/06/880385506.db2.gz STXIJAHYTPTQHS-INIZCTEOSA-N 0 0 403.486 4.233 20 30 HIEDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000466617259 880387082 /nfs/dbraw/zinc/38/70/82/880387082.db2.gz BCCKZMWHLYBGMZ-UHFFFAOYSA-N 0 0 408.380 4.327 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000466621845 880392897 /nfs/dbraw/zinc/39/28/97/880392897.db2.gz VDXXNXJEXLICNE-MRXNPFEDSA-N 0 0 400.866 4.453 20 30 HIEDRN Cn1cc(CNc2cccc(-c3ccc4c(c3)OCCO4)n2)c(-c2ccc(C#N)cc2)n1 ZINC000466626648 880398561 /nfs/dbraw/zinc/39/85/61/880398561.db2.gz QMECNCOYMKRUQA-UHFFFAOYSA-N 0 0 423.476 4.404 20 30 HIEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)n2)cc1 ZINC000466636451 880409568 /nfs/dbraw/zinc/40/95/68/880409568.db2.gz UQWLSJFAMQTFGP-UHFFFAOYSA-N 0 0 414.856 4.166 20 30 HIEDRN Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1N(C)C(=O)c1cc(C#N)cs1 ZINC000466652127 880428698 /nfs/dbraw/zinc/42/86/98/880428698.db2.gz UVOOGECFWPUGFY-UHFFFAOYSA-N 0 0 406.492 4.390 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCCC2(C)C)cc1 ZINC000466661022 880441322 /nfs/dbraw/zinc/44/13/22/880441322.db2.gz ZXMOYBBZUQWHEE-OAQYLSRUSA-N 0 0 421.497 4.383 20 30 HIEDRN CO[C@]1(C)C[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1(C)C ZINC000466663091 880442987 /nfs/dbraw/zinc/44/29/87/880442987.db2.gz BPTWIOXJLXDKLV-WMZHIEFXSA-N 0 0 406.486 4.136 20 30 HIEDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000466755360 880534834 /nfs/dbraw/zinc/53/48/34/880534834.db2.gz YOBQCVRSUDPBID-VQIMIIECSA-N 0 0 410.518 4.450 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000466761510 880541031 /nfs/dbraw/zinc/54/10/31/880541031.db2.gz CVLDYRZUAAIIIA-IERDGZPVSA-N 0 0 423.513 4.264 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000466774802 880553578 /nfs/dbraw/zinc/55/35/78/880553578.db2.gz IKXUCMIBHMSOKB-IIBYNOLFSA-N 0 0 420.513 4.351 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)N[C@H]3CSc4ccc(Br)cc43)CC2)c1 ZINC000503527324 912581026 /nfs/dbraw/zinc/58/10/26/912581026.db2.gz KCERRIAUNCFGCL-INIZCTEOSA-N 0 0 414.328 4.456 20 30 HIEDRN CN(CCCOCc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000466782687 880560995 /nfs/dbraw/zinc/56/09/95/880560995.db2.gz OPGLDEWLPZSCQM-UHFFFAOYSA-N 0 0 404.466 4.409 20 30 HIEDRN C[C@H]1CC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000466813557 880588797 /nfs/dbraw/zinc/58/87/97/880588797.db2.gz PTVOCGAXVQOCCC-HOTGVXAUSA-N 0 0 406.486 4.136 20 30 HIEDRN N#Cc1cccc(CCNC(=O)N(Cc2csc(Br)c2)C2CC2)c1 ZINC000466815969 880590984 /nfs/dbraw/zinc/59/09/84/880590984.db2.gz NTFUAWRXRAGKNU-UHFFFAOYSA-N 0 0 404.333 4.299 20 30 HIEDRN N#Cc1cccc(CCNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 ZINC000466817509 880592057 /nfs/dbraw/zinc/59/20/57/880592057.db2.gz TVTJLIOPXVHYKV-UHFFFAOYSA-N 0 0 415.449 4.230 20 30 HIEDRN C=CCN(CC=C)C(=O)COc1ccc(Oc2ccc(Br)cn2)cc1 ZINC000466833433 880603234 /nfs/dbraw/zinc/60/32/34/880603234.db2.gz FTYPCPDBOYVRSO-UHFFFAOYSA-N 0 0 403.276 4.216 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000503532382 912589190 /nfs/dbraw/zinc/58/91/90/912589190.db2.gz LTADLSGWYMPDAA-CQSZACIVSA-N 0 0 407.308 4.383 20 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/nfs/dbraw/zinc/88/15/93/880881593.db2.gz WKDMAJCFLRTNFJ-UHFFFAOYSA-N 0 0 419.497 4.402 20 30 HIEDRN C[C@]1(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCO[C@@H]1C1CC1 ZINC000467166945 880896934 /nfs/dbraw/zinc/89/69/34/880896934.db2.gz YLYLLXRQLODDBX-ZJSXRUAMSA-N 0 0 418.497 4.137 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000467245958 880971563 /nfs/dbraw/zinc/97/15/63/880971563.db2.gz ZAIRWJNBNAXLFI-OAHLLOKOSA-N 0 0 409.983 4.280 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(C(=O)N(CCC#N)Cc3ccco3)s2)cc1 ZINC000467258677 880994490 /nfs/dbraw/zinc/99/44/90/880994490.db2.gz KMHSKWSMWVJKNM-UHFFFAOYSA-N 0 0 409.467 4.158 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1N ZINC000467269210 881008325 /nfs/dbraw/zinc/00/83/25/881008325.db2.gz QREORDFFASNJFI-MRXNPFEDSA-N 0 0 400.269 4.064 20 30 HIEDRN CN(Cc1ccc(F)cc1C#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467271497 881012447 /nfs/dbraw/zinc/01/24/47/881012447.db2.gz OQYSMFBXRGNMLW-UHFFFAOYSA-N 0 0 421.310 4.242 20 30 HIEDRN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CCC#N)CC(F)(F)F)cc12 ZINC000467322001 881069101 /nfs/dbraw/zinc/06/91/01/881069101.db2.gz RFCQUONFJVFXGH-UHFFFAOYSA-N 0 0 410.396 4.453 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](c3nc[nH]n3)c3ccccc3)cc2)c1 ZINC000467330428 881077631 /nfs/dbraw/zinc/07/76/31/881077631.db2.gz IASKWQRMFYZXEY-NRFANRHFSA-N 0 0 410.437 4.380 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000467340627 881090824 /nfs/dbraw/zinc/09/08/24/881090824.db2.gz JHHRTRRMBDUQQG-CVEARBPZSA-N 0 0 415.588 4.306 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)n2)c1 ZINC000467426096 881215271 /nfs/dbraw/zinc/21/52/71/881215271.db2.gz CNQCOMXCFFDJRT-OAQYLSRUSA-N 0 0 412.493 4.402 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2cnn(C(F)F)c2)nnc1-c1ccc(Cl)cc1 ZINC000467428162 881220379 /nfs/dbraw/zinc/22/03/79/881220379.db2.gz GJQNMCCCPLQHSU-UHFFFAOYSA-N 0 0 424.864 4.107 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000467429367 881223592 /nfs/dbraw/zinc/22/35/92/881223592.db2.gz XCIXAEVMCAHVDL-SFHVURJKSA-N 0 0 404.514 4.326 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1cccc(C#N)c1 ZINC000503582304 912668613 /nfs/dbraw/zinc/66/86/13/912668613.db2.gz YJDUGUAXNDKZNH-MRXNPFEDSA-N 0 0 418.522 4.331 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(OC3CCCC3)CC2)c1C#N ZINC000503587381 912672445 /nfs/dbraw/zinc/67/24/45/912672445.db2.gz SYHPJJVXASJHJR-UHFFFAOYSA-N 0 0 412.578 4.454 20 30 HIEDRN CCC(C)(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000469061009 883135849 /nfs/dbraw/zinc/13/58/49/883135849.db2.gz SEPCICOBHHXLDW-FQEVSTJZSA-N 0 0 418.497 4.090 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000469070732 883150908 /nfs/dbraw/zinc/15/09/08/883150908.db2.gz YBBJKKJVSWFEBT-HNNXBMFYSA-N 0 0 414.918 4.054 20 30 HIEDRN COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000469081357 883167120 /nfs/dbraw/zinc/16/71/20/883167120.db2.gz OPCKDYNBPFFRQG-OPAMFIHVSA-N 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ZINC000469969559 884178818 /nfs/dbraw/zinc/17/88/18/884178818.db2.gz PGQJYUQKGNNYMU-QGZVFWFLSA-N 0 0 403.482 4.164 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)CCOc3ccc(Cl)cc3)ccc21 ZINC000469971331 884182743 /nfs/dbraw/zinc/18/27/43/884182743.db2.gz DWLAJLKYGYQZTJ-UHFFFAOYSA-N 0 0 411.889 4.331 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000469990178 884206580 /nfs/dbraw/zinc/20/65/80/884206580.db2.gz HVEUBAOICOZSAY-LBPRGKRZSA-N 0 0 423.460 4.466 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000470023763 884242311 /nfs/dbraw/zinc/24/23/11/884242311.db2.gz FMDYNJGGCSMSFI-BJKOFHAPSA-N 0 0 419.525 4.340 20 30 HIEDRN C[C@@H]1CN(C(=O)NCCSCc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000470036202 884272503 /nfs/dbraw/zinc/27/25/03/884272503.db2.gz SOOJEOLRHXPOFA-DNVCBOLYSA-N 0 0 401.557 4.025 20 30 HIEDRN N#Cc1ccc(CCC(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)cc1 ZINC000470038023 884276447 /nfs/dbraw/zinc/27/64/47/884276447.db2.gz HPFMHQYQZLGMDK-UHFFFAOYSA-N 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N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3coc4ccccc34)ccc21 ZINC000470528861 884925593 /nfs/dbraw/zinc/92/55/93/884925593.db2.gz BSSWMVNIJTWBPT-UHFFFAOYSA-N 0 0 402.454 4.337 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc([C@H](C)N3CCOCC3)c2)c1 ZINC000470532740 884931789 /nfs/dbraw/zinc/93/17/89/884931789.db2.gz QHPOXKYRYNSIHW-NRFANRHFSA-N 0 0 420.557 4.055 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCO[C@@H](C4CCCCC4)C3)ccc21 ZINC000470538556 884941183 /nfs/dbraw/zinc/94/11/83/884941183.db2.gz QTEQWPVYSGBOJX-JOCHJYFZSA-N 0 0 424.545 4.083 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(C(=O)NC(C)C)cc2C)c1 ZINC000470537765 884941262 /nfs/dbraw/zinc/94/12/62/884941262.db2.gz MAPVCHPHBOQIMX-UHFFFAOYSA-N 0 0 406.530 4.109 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCC3(c4ccccc4)CC3)ccc21 ZINC000470538660 884942209 /nfs/dbraw/zinc/94/22/09/884942209.db2.gz WGXOUHNNMODLKU-UHFFFAOYSA-N 0 0 402.498 4.123 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3cccc4cccnc43)ccc21 ZINC000470540045 884944411 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Cc1cc(N(CCC#N)C(=O)CNc2cc(C(=O)N(C)C)ccc2C)ccc1Cl ZINC000470554283 884968818 /nfs/dbraw/zinc/96/88/18/884968818.db2.gz YAJRERYPBBYWDS-UHFFFAOYSA-N 0 0 412.921 4.017 20 30 HIEDRN CS[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)(C)C ZINC000470557331 884971603 /nfs/dbraw/zinc/97/16/03/884971603.db2.gz WQDQOKLUYBXDIQ-GOSISDBHSA-N 0 0 402.564 4.169 20 30 HIEDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470558214 884974075 /nfs/dbraw/zinc/97/40/75/884974075.db2.gz DCBIGYYGJLYAHH-KRWDZBQOSA-N 0 0 422.451 4.464 20 30 HIEDRN C[C@@H](C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N(C)CC(F)(F)F ZINC000503958572 912884898 /nfs/dbraw/zinc/88/48/98/912884898.db2.gz FDEDEPUQVZPWCO-GZMMTYOYSA-N 0 0 410.280 4.308 20 30 HIEDRN CCN([C@H](C)c1ccc(-c2cccc(OC)c2)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000470617942 885041333 /nfs/dbraw/zinc/04/13/33/885041333.db2.gz INRFZWOKDUZCER-QGZVFWFLSA-N 0 0 421.522 4.401 20 30 HIEDRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)S(=O)(=O)N(C)CCC#N)c2)cc1 ZINC000470621629 885046551 /nfs/dbraw/zinc/04/65/51/885046551.db2.gz SPBKFTYOEIOQJF-SFHVURJKSA-N 0 0 415.559 4.224 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCC(=O)c2ccc(Cl)cn2)n1 ZINC000470633079 885058659 /nfs/dbraw/zinc/05/86/59/885058659.db2.gz MNSVSGDNRLQSQK-UHFFFAOYSA-N 0 0 414.252 4.047 20 30 HIEDRN COCCCC[C@@H](NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)c1ccccc1 ZINC000470649152 885071712 /nfs/dbraw/zinc/07/17/12/885071712.db2.gz KBAOKEQNVIFDTD-HXUWFJFHSA-N 0 0 418.501 4.127 20 30 HIEDRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000470650803 885072438 /nfs/dbraw/zinc/07/24/38/885072438.db2.gz UTPIVVHLQWCYJG-CQSZACIVSA-N 0 0 400.862 4.416 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000470665007 885091908 /nfs/dbraw/zinc/09/19/08/885091908.db2.gz ATOQLSSWCYDKQG-PKTZIBPZSA-N 0 0 400.482 4.247 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCCC[C@@H]3n3cccn3)c2)cc1 ZINC000470678599 885110871 /nfs/dbraw/zinc/11/08/71/885110871.db2.gz PRXKDPWJVQOHAN-PKTZIBPZSA-N 0 0 400.482 4.247 20 30 HIEDRN Cc1nc(CC(C)C)sc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470770501 885235773 /nfs/dbraw/zinc/23/57/73/885235773.db2.gz BUHVBAMJENEFKM-UHFFFAOYSA-N 0 0 410.543 4.485 20 30 HIEDRN CCOC(=O)[C@H](CC)N(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000470782525 885254945 /nfs/dbraw/zinc/25/49/45/885254945.db2.gz XKPSFGXGRNLHMI-QFIPXVFZSA-N 0 0 406.482 4.491 20 30 HIEDRN CCOC(=O)[C@H](CC)N(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CC1 ZINC000470784090 885258376 /nfs/dbraw/zinc/25/83/76/885258376.db2.gz CUSKMERUZUNEQV-NRFANRHFSA-N 0 0 406.482 4.084 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCc3c2cccc3OC)cc1 ZINC000470784560 885259863 /nfs/dbraw/zinc/25/98/63/885259863.db2.gz PNGBWCDRCCPZNB-OAQYLSRUSA-N 0 0 405.498 4.318 20 30 HIEDRN N#Cc1cc(NC(=O)Nc2ccccc2O[C@H]2CCOC2)ccc1OCC(F)(F)F ZINC000470798346 885285456 /nfs/dbraw/zinc/28/54/56/885285456.db2.gz SPBZDGITMPEXAL-HNNXBMFYSA-N 0 0 421.375 4.311 20 30 HIEDRN Cc1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)nnn1-c1ccccc1Cl ZINC000504013371 912920651 /nfs/dbraw/zinc/92/06/51/912920651.db2.gz PBXHSBDTDULSJT-UHFFFAOYSA-N 0 0 403.873 4.030 20 30 HIEDRN Cc1sc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000470825964 885314095 /nfs/dbraw/zinc/31/40/95/885314095.db2.gz HHQUAJBXDNAERY-KRWDZBQOSA-N 0 0 417.450 4.219 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2cnc3ccccc3c2)cc1 ZINC000470827380 885316796 /nfs/dbraw/zinc/31/67/96/885316796.db2.gz NCKLOVXMHXEZGZ-SFHVURJKSA-N 0 0 415.493 4.455 20 30 HIEDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470837583 885330910 /nfs/dbraw/zinc/33/09/10/885330910.db2.gz VGKQQXOWTBUDLF-OAQYLSRUSA-N 0 0 414.509 4.250 20 30 HIEDRN CCOC(=O)[C@](C)(CNC(=O)c1ccccc1-c1ccccc1C#N)c1ccccc1 ZINC000470839958 885333049 /nfs/dbraw/zinc/33/30/49/885333049.db2.gz LKYVSKOXMMHJJM-AREMUKBSSA-N 0 0 412.489 4.476 20 30 HIEDRN Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470843970 885339587 /nfs/dbraw/zinc/33/95/87/885339587.db2.gz FULITHCUFOMANL-UHFFFAOYSA-N 0 0 414.465 4.485 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 ZINC000470876705 885365869 /nfs/dbraw/zinc/36/58/69/885365869.db2.gz YJJSXGYTHTVAJA-QFIPXVFZSA-N 0 0 406.445 4.330 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC000470877177 885367453 /nfs/dbraw/zinc/36/74/53/885367453.db2.gz FVSLHXBNSRDICF-XMMPIXPASA-N 0 0 407.473 4.159 20 30 HIEDRN Cc1cc(C)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(OC2CCC2)n1 ZINC000470888515 885383252 /nfs/dbraw/zinc/38/32/52/885383252.db2.gz LQWULTWRSMLRPI-UHFFFAOYSA-N 0 0 405.498 4.185 20 30 HIEDRN Cc1c(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cccc1C(=O)Nc1ccccc1 ZINC000470902343 885405779 /nfs/dbraw/zinc/40/57/79/885405779.db2.gz UBLYYEWJRSRURD-HXUWFJFHSA-N 0 0 408.461 4.440 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1nnc(-c2ccccc2)s1 ZINC000470903373 885407086 /nfs/dbraw/zinc/40/70/86/885407086.db2.gz HMEDUFXJGQZQNL-UHFFFAOYSA-N 0 0 416.428 4.075 20 30 HIEDRN C=CCn1c(SCc2nc(-c3cccs3)n[nH]2)nnc1-c1ccccc1OC ZINC000470905658 885410626 /nfs/dbraw/zinc/41/06/26/885410626.db2.gz HNWIMANYOQDXKU-UHFFFAOYSA-N 0 0 410.528 4.279 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470915589 885422520 /nfs/dbraw/zinc/42/25/20/885422520.db2.gz GELIHPLGLPMKID-IUODEOHRSA-N 0 0 413.465 4.066 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000470947873 885447485 /nfs/dbraw/zinc/44/74/85/885447485.db2.gz OQEOWISUELDSDZ-WFASDCNBSA-N 0 0 413.465 4.209 20 30 HIEDRN Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)Cc3ccc(C#N)cc3)cs2)c1 ZINC000470975096 885476266 /nfs/dbraw/zinc/47/62/66/885476266.db2.gz MMQMLJGXHBSVCK-UHFFFAOYSA-N 0 0 404.539 4.445 20 30 HIEDRN COc1ccc(-c2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)s2)cc1 ZINC000470979586 885481249 /nfs/dbraw/zinc/48/12/49/885481249.db2.gz LPAPYHMONYSPJJ-IBGZPJMESA-N 0 0 401.491 4.294 20 30 HIEDRN CCCC1(CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 ZINC000470985495 885487057 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SODUPZLPPOXJRB-OXJNMPFZSA-N 0 0 407.905 4.333 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000471022488 885529824 /nfs/dbraw/zinc/52/98/24/885529824.db2.gz ODGJXGNKRISJAE-WMZHIEFXSA-N 0 0 404.514 4.066 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000471034546 885541563 /nfs/dbraw/zinc/54/15/63/885541563.db2.gz GCQBPLFBIJUJAR-PMACEKPBSA-N 0 0 407.901 4.212 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000471038669 885547315 /nfs/dbraw/zinc/54/73/15/885547315.db2.gz QUHALHRUYZFTFU-HZPDHXFCSA-N 0 0 418.444 4.122 20 30 HIEDRN CC[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000471054095 885568127 /nfs/dbraw/zinc/56/81/27/885568127.db2.gz TZSJUIXTIBWHAX-HKUYNNGSSA-N 0 0 415.415 4.233 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2I)cc1Cl ZINC000471084053 885611301 /nfs/dbraw/zinc/61/13/01/885611301.db2.gz AXGNFWYJHQBSCQ-UHFFFAOYSA-N 0 0 418.568 4.347 20 30 HIEDRN Cc1cc(C)c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(OC2CCC2)n1 ZINC000471097634 885629060 /nfs/dbraw/zinc/62/90/60/885629060.db2.gz HEFWFMQREXHIHQ-UHFFFAOYSA-N 0 0 420.513 4.016 20 30 HIEDRN Cc1sc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1CS(C)(=O)=O ZINC000471102102 885635533 /nfs/dbraw/zinc/63/55/33/885635533.db2.gz UOMLIYYMHUYSDW-UHFFFAOYSA-N 0 0 408.570 4.056 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000471109887 885645093 /nfs/dbraw/zinc/64/50/93/885645093.db2.gz IUFDSKHLKBTIDR-UHFFFAOYSA-N 0 0 417.830 4.108 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1 ZINC000471121486 885656165 /nfs/dbraw/zinc/65/61/65/885656165.db2.gz IJQOGEACZBBQPV-QFIPXVFZSA-N 0 0 413.452 4.275 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1 ZINC000471121485 885656555 /nfs/dbraw/zinc/65/65/55/885656555.db2.gz IJQOGEACZBBQPV-JOCHJYFZSA-N 0 0 413.452 4.275 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CC3(CCC3)c3cc(Br)ccc32)cc1 ZINC000471138975 885681049 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424.863 4.157 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 ZINC000473581223 888321508 /nfs/dbraw/zinc/32/15/08/888321508.db2.gz CYWZWLGKOVIYLM-HSZRJFAPSA-N 0 0 418.928 4.230 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000473580631 888321841 /nfs/dbraw/zinc/32/18/41/888321841.db2.gz ATPUMCOVTFTGNK-NRFANRHFSA-N 0 0 411.937 4.133 20 30 HIEDRN C[C@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1cn(C)c2ccccc12 ZINC000473582137 888323161 /nfs/dbraw/zinc/32/31/61/888323161.db2.gz KBFAPPSBCUOIAY-GAJHUEQPSA-N 0 0 420.944 4.344 20 30 HIEDRN CCC(CC)n1nc(C)cc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473583873 888325001 /nfs/dbraw/zinc/32/50/01/888325001.db2.gz VIKZNHGZDYVTSA-NRFANRHFSA-N 0 0 413.953 4.229 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000473584446 888326949 /nfs/dbraw/zinc/32/69/49/888326949.db2.gz YMOYVWNONSMCJN-JOCHJYFZSA-N 0 0 406.917 4.163 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CCSC4(CCOCC4)C3)c2)cc1 ZINC000473668557 888425237 /nfs/dbraw/zinc/42/52/37/888425237.db2.gz VAFPITSSMLWUDS-UHFFFAOYSA-N 0 0 409.511 4.480 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cccc(-c3cccs3)c2)c1 ZINC000473690743 888464447 /nfs/dbraw/zinc/46/44/47/888464447.db2.gz DVORLNZTAMUGLU-HXUWFJFHSA-N 0 0 401.491 4.416 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000473692286 888466098 /nfs/dbraw/zinc/46/60/98/888466098.db2.gz PHCBHPMQJYWIHE-HNNXBMFYSA-N 0 0 407.495 4.282 20 30 HIEDRN C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000504436908 913248214 /nfs/dbraw/zinc/24/82/14/913248214.db2.gz RUHUATIEAIZPEZ-FOIQADDNSA-N 0 0 412.331 4.335 20 30 HIEDRN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000473700637 888476880 /nfs/dbraw/zinc/47/68/80/888476880.db2.gz RRZUHXYHJBOJTI-PKOBYXMFSA-N 0 0 407.539 4.111 20 30 HIEDRN C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000504436909 913248944 /nfs/dbraw/zinc/24/89/44/913248944.db2.gz RUHUATIEAIZPEZ-MGPUTAFESA-N 0 0 412.331 4.335 20 30 HIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000504436874 913248983 /nfs/dbraw/zinc/24/89/83/913248983.db2.gz ZUYIYMHREBFKLL-HXUWFJFHSA-N 0 0 419.569 4.434 20 30 HIEDRN COC(=O)c1cc(Cl)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC000473758799 888552410 /nfs/dbraw/zinc/55/24/10/888552410.db2.gz AAVRQPCBFWKGCL-UHFFFAOYSA-N 0 0 419.673 4.106 20 30 HIEDRN N#CCc1ccc(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000473764220 888559939 /nfs/dbraw/zinc/55/99/39/888559939.db2.gz WIGZQWRLYRVQHK-UHFFFAOYSA-N 0 0 402.429 4.466 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000473771188 888570068 /nfs/dbraw/zinc/57/00/68/888570068.db2.gz OVMFSXLJDUUMLX-UHFFFAOYSA-N 0 0 413.424 4.183 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000473782463 888589647 /nfs/dbraw/zinc/58/96/47/888589647.db2.gz ALOLWZKRJWLNOZ-UHFFFAOYSA-N 0 0 418.428 4.280 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 ZINC000473793223 888609338 /nfs/dbraw/zinc/60/93/38/888609338.db2.gz CUFYQTJTRYDETB-GFCCVEGCSA-N 0 0 419.432 4.303 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000504455070 913261882 /nfs/dbraw/zinc/26/18/82/913261882.db2.gz AVMNBZCCMMLNKP-UHFFFAOYSA-N 0 0 416.525 4.266 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000504462456 913265580 /nfs/dbraw/zinc/26/55/80/913265580.db2.gz JYRRUMAAIFOAAU-NRFANRHFSA-N 0 0 406.530 4.001 20 30 HIEDRN CCCCOc1ccc(C(=O)NCC(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000473845836 888692000 /nfs/dbraw/zinc/69/20/00/888692000.db2.gz YAWKTOFECIKYNQ-GOSISDBHSA-N 0 0 407.514 4.077 20 30 HIEDRN Cc1ccccc1C(=O)NCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000473857956 888709501 /nfs/dbraw/zinc/70/95/01/888709501.db2.gz IZLLMTWSXIIRLY-UHFFFAOYSA-N 0 0 413.477 4.009 20 30 HIEDRN CC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000473898459 888773095 /nfs/dbraw/zinc/77/30/95/888773095.db2.gz VWWIPHCGNOHGIR-JRFVFWCSSA-N 0 0 415.537 4.092 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000473919528 888801140 /nfs/dbraw/zinc/80/11/40/888801140.db2.gz DMOCFZDQZYLCRU-UHFFFAOYSA-N 0 0 405.951 4.463 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N2CCO[C@@H](c3cccs3)C2)CC1 ZINC000473972510 888838839 /nfs/dbraw/zinc/83/88/39/888838839.db2.gz RIDIZCHRLGCKRO-AFMYVXGZSA-N 0 0 411.527 4.093 20 30 HIEDRN C[C@@H]1[C@@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000474174388 889013176 /nfs/dbraw/zinc/01/31/76/889013176.db2.gz KTQCDIGQOZDGAX-RHSMWYFYSA-N 0 0 408.445 4.219 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)c2cc(I)ccc2F)c1 ZINC000474230429 889073575 /nfs/dbraw/zinc/07/35/75/889073575.db2.gz KMOINSZLEUBBQB-UHFFFAOYSA-N 0 0 424.213 4.365 20 30 HIEDRN O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1cc(F)c(F)c(F)c1F ZINC000474283817 889149658 /nfs/dbraw/zinc/14/96/58/889149658.db2.gz HILOGKXLCYDVKH-UHFFFAOYSA-N 0 0 420.284 4.337 20 30 HIEDRN N#CC[C@@H](CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000474287297 889152802 /nfs/dbraw/zinc/15/28/02/889152802.db2.gz GLBUMZIKURKFLL-FQEVSTJZSA-N 0 0 415.459 4.437 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc4c(c3)CCC(=O)N4CC(F)(F)F)CC2)c1 ZINC000474287094 889152923 /nfs/dbraw/zinc/15/29/23/889152923.db2.gz ZNXRGYAOICWWBU-UHFFFAOYSA-N 0 0 413.399 4.070 20 30 HIEDRN C=CCOc1cccc(CN(CCNC(C)=O)Cc2ccc(Br)s2)c1 ZINC000504546392 913323407 /nfs/dbraw/zinc/32/34/07/913323407.db2.gz MZVFOMCZCQHIGH-UHFFFAOYSA-N 0 0 423.376 4.214 20 30 HIEDRN N#Cc1cc(NC(=O)c2cc(I)ccc2F)ccc1Cl ZINC000474368467 889246353 /nfs/dbraw/zinc/24/63/53/889246353.db2.gz GWOCCSUTMQSVAO-UHFFFAOYSA-N 0 0 400.578 4.208 20 30 HIEDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000474410968 889276524 /nfs/dbraw/zinc/27/65/24/889276524.db2.gz KFVPEFAIFBXCRW-UHFFFAOYSA-N 0 0 407.514 4.143 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1cccc(Br)c1)c1cccc(Br)c1 ZINC000504557404 913330256 /nfs/dbraw/zinc/33/02/56/913330256.db2.gz 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4.464 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000476795386 891777793 /nfs/dbraw/zinc/77/77/93/891777793.db2.gz IIYIQRKXJUKYHU-FQEVSTJZSA-N 0 0 420.509 4.301 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccc(OCC)nn2)c1C ZINC000476799429 891782756 /nfs/dbraw/zinc/78/27/56/891782756.db2.gz CGPJWENLYMUBAO-UHFFFAOYSA-N 0 0 405.502 4.474 20 30 HIEDRN C[C@@H]1Cc2c(nc3ccccc3c2C(=O)N2CC(O)(CC#N)C2)/C(=C/c2ccccc2)C1 ZINC000476817420 891802916 /nfs/dbraw/zinc/80/29/16/891802916.db2.gz GBPOKTZSTRYEHJ-XTFSCAMASA-N 0 0 423.516 4.458 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F ZINC000476831751 891812271 /nfs/dbraw/zinc/81/22/71/891812271.db2.gz UFPLJFAOUJGQHZ-UHFFFAOYSA-N 0 0 408.376 4.434 20 30 HIEDRN N#CC[C@H](CC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccccc1 ZINC000476835444 891814096 /nfs/dbraw/zinc/81/40/96/891814096.db2.gz YXRFJWUVEIGYQR-MSOLQXFVSA-N 0 0 401.432 4.488 20 30 HIEDRN CCCc1c(NC(=O)c2cc(F)ccc2-n2cccn2)cnn1-c1cccc(C#N)c1 ZINC000476930738 891875752 /nfs/dbraw/zinc/87/57/52/891875752.db2.gz GYYHLCVEKZCQSP-UHFFFAOYSA-N 0 0 414.444 4.274 20 30 HIEDRN CCc1cnc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)s1 ZINC000476997593 891923736 /nfs/dbraw/zinc/92/37/36/891923736.db2.gz UFXGAOVWRAAHMA-UHFFFAOYSA-N 0 0 421.570 4.114 20 30 HIEDRN COc1cc(CS[C@H]2CCN(C(C)C)C2=O)ccc1OCc1cccc(C#N)c1 ZINC000477000309 891927328 /nfs/dbraw/zinc/92/73/28/891927328.db2.gz JARGAGKTIMDUQU-QFIPXVFZSA-N 0 0 410.539 4.388 20 30 HIEDRN C[C@@H](Sc1nnc(CC#N)n1C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000477073303 892006960 /nfs/dbraw/zinc/00/69/60/892006960.db2.gz ZUDWCWOQZWAWHO-CQSZACIVSA-N 0 0 409.540 4.152 20 30 HIEDRN N#CC[C@H](CC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000477100160 892033839 /nfs/dbraw/zinc/03/38/39/892033839.db2.gz QGEYUCACLYQZLD-MJGOQNOKSA-N 0 0 412.331 4.232 20 30 HIEDRN C=C[C@H](CC(=O)NCc1noc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC000477140836 892066260 /nfs/dbraw/zinc/06/62/60/892066260.db2.gz DTTIJEAKSDATFJ-CQSZACIVSA-N 0 0 412.287 4.475 20 30 HIEDRN N#CCCCn1cc(C(=O)NCc2noc(-c3ccccc3F)n2)c2ccccc21 ZINC000477160949 892082338 /nfs/dbraw/zinc/08/23/38/892082338.db2.gz GQXSIENHAMYPCC-UHFFFAOYSA-N 0 0 403.417 4.064 20 30 HIEDRN C=CC[C@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC000477171508 892092991 /nfs/dbraw/zinc/09/29/91/892092991.db2.gz XIBDPUMYENMFFI-KRWDZBQOSA-N 0 0 412.287 4.475 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000477235571 892179538 /nfs/dbraw/zinc/17/95/38/892179538.db2.gz CDDRBPBPBAVTFW-HXUWFJFHSA-N 0 0 403.400 4.045 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)c(I)c1 ZINC000477239898 892184445 /nfs/dbraw/zinc/18/44/45/892184445.db2.gz LDEVEOWRPBCWHJ-GOSISDBHSA-N 0 0 422.241 4.075 20 30 HIEDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477251464 892202157 /nfs/dbraw/zinc/20/21/57/892202157.db2.gz BMBNUSWLHIOSNC-UHFFFAOYSA-N 0 0 405.464 4.275 20 30 HIEDRN C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1Cl ZINC000477250899 892202682 /nfs/dbraw/zinc/20/26/82/892202682.db2.gz AFGJTHYXXVFFNB-OAHLLOKOSA-N 0 0 401.869 4.383 20 30 HIEDRN Cc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(C)n1Cc1ccccn1 ZINC000477261844 892213332 /nfs/dbraw/zinc/21/33/32/892213332.db2.gz RZTIZYXXPKUBCW-UHFFFAOYSA-N 0 0 411.427 4.349 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1F ZINC000477285294 892240736 /nfs/dbraw/zinc/24/07/36/892240736.db2.gz YRILIPOTWRTKTE-UHFFFAOYSA-N 0 0 400.169 4.389 20 30 HIEDRN CC(=O)N[C@@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000477285975 892241607 /nfs/dbraw/zinc/24/16/07/892241607.db2.gz OQCJZGNTAXFUSM-IBGZPJMESA-N 0 0 422.834 4.094 20 30 HIEDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000477286683 892242378 /nfs/dbraw/zinc/24/23/78/892242378.db2.gz UKYHDGALHWGVIV-AUUYWEPGSA-N 0 0 400.400 4.081 20 30 HIEDRN CCCN(CC)C(=O)c1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000477295639 892254233 /nfs/dbraw/zinc/25/42/33/892254233.db2.gz KBUFQBBEJHHDMV-UHFFFAOYSA-N 0 0 416.443 4.359 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)c3c(F)cccc3Cl)C2)n1 ZINC000477306023 892268766 /nfs/dbraw/zinc/26/87/66/892268766.db2.gz VAHXCVRCKDEAGF-HOCLYGCPSA-N 0 0 400.885 4.148 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(C#N)c(C#N)c2)c2ccccc2)cc1 ZINC000477366500 892329887 /nfs/dbraw/zinc/32/98/87/892329887.db2.gz RTBKLLAGMUSWKW-HSZRJFAPSA-N 0 0 408.461 4.238 20 30 HIEDRN COc1ccc(NC(=O)[C@@H](C)SCCCOc2cccc(C#N)c2)cc1OC ZINC000477366684 892330093 /nfs/dbraw/zinc/33/00/93/892330093.db2.gz OMXLRAUCAIBLNW-OAHLLOKOSA-N 0 0 400.500 4.105 20 30 HIEDRN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(C#N)c(C#N)c2)c2ccccc2)cc1 ZINC000477366501 892330787 /nfs/dbraw/zinc/33/07/87/892330787.db2.gz RTBKLLAGMUSWKW-QHCPKHFHSA-N 0 0 408.461 4.238 20 30 HIEDRN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000477373924 892335114 /nfs/dbraw/zinc/33/51/14/892335114.db2.gz AEZATDCGIYLPMV-UHFFFAOYSA-N 0 0 420.332 4.030 20 30 HIEDRN N#Cc1ccc(NC(=O)CCc2nc3cc(Br)ccc3s2)cc1C#N ZINC000477416811 892368968 /nfs/dbraw/zinc/36/89/68/892368968.db2.gz JJURRAXNXHTFOT-UHFFFAOYSA-N 0 0 411.284 4.373 20 30 HIEDRN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C12CCC2 ZINC000477417107 892369740 /nfs/dbraw/zinc/36/97/40/892369740.db2.gz TXCCTXJXGOLQDJ-MOPGFXCFSA-N 0 0 410.543 4.417 20 30 HIEDRN CCCOc1c(Br)cc(C(=O)N(C2CC2)C2(C#N)CCC2)cc1OC ZINC000477437241 892387808 /nfs/dbraw/zinc/38/78/08/892387808.db2.gz SDSLVDRVJXELRI-UHFFFAOYSA-N 0 0 407.308 4.297 20 30 HIEDRN N#Cc1ccnc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000477441005 892391894 /nfs/dbraw/zinc/39/18/94/892391894.db2.gz DDVLDFCXNVZRIX-IBGZPJMESA-N 0 0 404.857 4.107 20 30 HIEDRN N#Cc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N ZINC000477444030 892395001 /nfs/dbraw/zinc/39/50/01/892395001.db2.gz NAMCBYDUTOXXQN-UHFFFAOYSA-N 0 0 413.277 4.485 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000477450002 892402310 /nfs/dbraw/zinc/40/23/10/892402310.db2.gz SMGJKECOMXSUME-FXAWDEMLSA-N 0 0 409.486 4.374 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000477481258 892471836 /nfs/dbraw/zinc/47/18/36/892471836.db2.gz KIHQBCQVMAOAAW-MRXNPFEDSA-N 0 0 409.339 4.142 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477489109 892488482 /nfs/dbraw/zinc/48/84/82/892488482.db2.gz YPFWSCDACJXLBT-OAQYLSRUSA-N 0 0 405.498 4.116 20 30 HIEDRN N#Cc1cccc(OCCCSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 ZINC000477525809 892551438 /nfs/dbraw/zinc/55/14/38/892551438.db2.gz GYGXLXWWDWWBAI-UHFFFAOYSA-N 0 0 417.494 4.414 20 30 HIEDRN CO[C@H](C)c1noc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)n1 ZINC000477536254 892571288 /nfs/dbraw/zinc/57/12/88/892571288.db2.gz IOEGRYPUFAYDOJ-CQSZACIVSA-N 0 0 408.483 4.072 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)NCC(=O)Nc2cccc(Br)c2)c1 ZINC000477542023 892581333 /nfs/dbraw/zinc/58/13/33/892581333.db2.gz LJXGVFBWPGBEAC-UHFFFAOYSA-N 0 0 418.291 4.164 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000477543417 892582995 /nfs/dbraw/zinc/58/29/95/892582995.db2.gz PDUHLXKPISEWEP-CVEARBPZSA-N 0 0 410.547 4.030 20 30 HIEDRN N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1ccn(C2CCCC2)n1 ZINC000477555777 892601144 /nfs/dbraw/zinc/60/11/44/892601144.db2.gz FYCYJASUGKETCR-UHFFFAOYSA-N 0 0 418.526 4.392 20 30 HIEDRN C=C(C)CN(C)C(=O)Nc1cc(Br)ccc1I ZINC000477621921 892727524 /nfs/dbraw/zinc/72/75/24/892727524.db2.gz JNDNKXNNTYASCJ-UHFFFAOYSA-N 0 0 409.065 4.094 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(-c2ccccc2C)nn1C)c1ccc(F)c(F)c1 ZINC000477629539 892747679 /nfs/dbraw/zinc/74/76/79/892747679.db2.gz CTQUXGQEYNYBMG-NRFANRHFSA-N 0 0 424.451 4.046 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1)c1ccc(F)c(F)c1 ZINC000477656358 892785548 /nfs/dbraw/zinc/78/55/48/892785548.db2.gz AAEZGJJWECROIP-FQEVSTJZSA-N 0 0 412.440 4.268 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2nc(C)co2)c1)c1ccc(F)c(F)c1 ZINC000477682494 892808400 /nfs/dbraw/zinc/80/84/00/892808400.db2.gz ZMDQFWIUYOFSNF-IBGZPJMESA-N 0 0 411.408 4.300 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000477713774 892822641 /nfs/dbraw/zinc/82/26/41/892822641.db2.gz CXIACCJAIIKNAR-UHFFFAOYSA-N 0 0 421.394 4.009 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000477730714 892830116 /nfs/dbraw/zinc/83/01/16/892830116.db2.gz HZTUHUYZWCIKOW-OAHLLOKOSA-N 0 0 402.367 4.176 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000477739962 892835941 /nfs/dbraw/zinc/83/59/41/892835941.db2.gz JAWRPCXVXODETK-UHFFFAOYSA-N 0 0 416.481 4.403 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NCCCC(=O)N1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000477740404 892836785 /nfs/dbraw/zinc/83/67/85/892836785.db2.gz JYXHKKZMCAEFHH-JOCHJYFZSA-N 0 0 413.468 4.251 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(F)c(F)c1 ZINC000477745467 892839946 /nfs/dbraw/zinc/83/99/46/892839946.db2.gz MQHYXEDYXKNPHR-KBXCAEBGSA-N 0 0 406.864 4.209 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1)c1ccc(F)c(F)c1 ZINC000477745912 892840882 /nfs/dbraw/zinc/84/08/82/892840882.db2.gz RSAVRVAPLKCCFA-RTWAWAEBSA-N 0 0 402.441 4.374 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000477754920 892846373 /nfs/dbraw/zinc/84/63/73/892846373.db2.gz MQSHNNZFKKSFEY-KKSFZXQISA-N 0 0 400.473 4.065 20 30 HIEDRN Cc1c(C(=O)N(CCC#N)CC(C)(C)C)cnn1-c1ccc(Br)cc1 ZINC000477774153 892859096 /nfs/dbraw/zinc/85/90/96/892859096.db2.gz XAJOCHCMKCSKKZ-UHFFFAOYSA-N 0 0 403.324 4.345 20 30 HIEDRN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000477820972 892887577 /nfs/dbraw/zinc/88/75/77/892887577.db2.gz IKLSKTHETWWBQJ-UHFFFAOYSA-N 0 0 410.493 4.456 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2cc(Br)ccc2N2CCCC2)c1 ZINC000477843112 892900112 /nfs/dbraw/zinc/90/01/12/892900112.db2.gz KWIRKUWCWWWSEF-UHFFFAOYSA-N 0 0 413.319 4.239 20 30 HIEDRN N#C[C@@H](C(=O)c1ccn(C2CCCC2)n1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000477852636 892912754 /nfs/dbraw/zinc/91/27/54/892912754.db2.gz DVQGZFCFFDFIBV-AWEZNQCLSA-N 0 0 407.499 4.077 20 30 HIEDRN Cn1c(CNC(=O)c2occc2COc2cccc(C#N)c2)nc2cccc(Cl)c21 ZINC000477915141 892995636 /nfs/dbraw/zinc/99/56/36/892995636.db2.gz IDNCTCBIOKYKPS-UHFFFAOYSA-N 0 0 420.856 4.200 20 30 HIEDRN COc1ccc(N(CCC(C)C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 ZINC000477916068 892998669 /nfs/dbraw/zinc/99/86/69/892998669.db2.gz QEXFYGOYVFODNU-UHFFFAOYSA-N 0 0 419.529 4.238 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cc(Br)cs1 ZINC000477924125 893011508 /nfs/dbraw/zinc/01/15/08/893011508.db2.gz DBJLJHJSFFXXON-UHFFFAOYSA-N 0 0 417.250 4.380 20 30 HIEDRN COc1ccc(CCCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000477930174 893019434 /nfs/dbraw/zinc/01/94/34/893019434.db2.gz VUQDJVWFMCXAKD-UHFFFAOYSA-N 0 0 420.431 4.006 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(Cl)c1 ZINC000477935605 893025053 /nfs/dbraw/zinc/02/50/53/893025053.db2.gz HCCDPAAOIJJOQK-KRWDZBQOSA-N 0 0 415.881 4.248 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000477967600 893060836 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CC(C)(CCC#N)CNC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 ZINC000478071486 893232849 /nfs/dbraw/zinc/23/28/49/893232849.db2.gz NEAOQLFORHDJHE-UHFFFAOYSA-N 0 0 402.502 4.445 20 30 HIEDRN COCCCOC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000478084807 893247482 /nfs/dbraw/zinc/24/74/82/893247482.db2.gz NELVQTQKESCKEG-UHFFFAOYSA-N 0 0 410.539 4.367 20 30 HIEDRN CCn1c(CNc2c(C#N)nnc3ccccc32)nc2cc(Br)ccc21 ZINC000478136280 893306307 /nfs/dbraw/zinc/30/63/07/893306307.db2.gz OXJWLMHHDXQETR-UHFFFAOYSA-N 0 0 407.275 4.246 20 30 HIEDRN CCc1nnc(NCc2nc3cc(Br)ccc3n2CC)c(C#N)c1CC ZINC000478138404 893309962 /nfs/dbraw/zinc/30/99/62/893309962.db2.gz STCSWNRQCAQWTE-UHFFFAOYSA-N 0 0 413.323 4.217 20 30 HIEDRN C=CCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000505022379 913761868 /nfs/dbraw/zinc/76/18/68/913761868.db2.gz DLFNZPNYLZGUFN-KRWDZBQOSA-N 0 0 407.514 4.345 20 30 HIEDRN C=CCCc1ccccc1NC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000505025225 913765765 /nfs/dbraw/zinc/76/57/65/913765765.db2.gz 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CC[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000478366314 893625693 /nfs/dbraw/zinc/62/56/93/893625693.db2.gz DHFQLCOMUKFZAH-WZONZLPQSA-N 0 0 408.523 4.120 20 30 HIEDRN C=CCCc1ccccc1NC(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000505057233 913795391 /nfs/dbraw/zinc/79/53/91/913795391.db2.gz HIFSJRVKVAVEFZ-GOSISDBHSA-N 0 0 409.530 4.470 20 30 HIEDRN COc1ccccc1C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)C ZINC000478393891 893674101 /nfs/dbraw/zinc/67/41/01/893674101.db2.gz BUDQCPMWROJSFG-JOCHJYFZSA-N 0 0 420.557 4.056 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000478395336 893675998 /nfs/dbraw/zinc/67/59/98/893675998.db2.gz UYIQDBCBAPAKMU-UHFFFAOYSA-N 0 0 420.515 4.292 20 30 HIEDRN N#Cc1ccc(CCC(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cc1 ZINC000478394643 893676308 /nfs/dbraw/zinc/67/63/08/893676308.db2.gz XQJNAUXYVWZNIU-UHFFFAOYSA-N 0 0 407.477 4.436 20 30 HIEDRN C=CCCc1ccccc1NC(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000505051891 913792963 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422.916 4.340 20 30 HIEDRN C[C@H]1CN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C[C@@]2(CCOC2)O1 ZINC000478433845 893734395 /nfs/dbraw/zinc/73/43/95/893734395.db2.gz RWRQMJNFKMABEL-OYHNWAKOSA-N 0 0 412.873 4.024 20 30 HIEDRN C=CCN(CCOC)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000478437320 893739805 /nfs/dbraw/zinc/73/98/05/893739805.db2.gz ZNGUVOWANDBDOU-NRFANRHFSA-N 0 0 407.514 4.152 20 30 HIEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000478483560 893806756 /nfs/dbraw/zinc/80/67/56/893806756.db2.gz ZTYVQSOXIWTIBO-UHFFFAOYSA-N 0 0 419.868 4.046 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(S[C@@H](C(=O)OCC)c2cccc(Cl)c2)n1 ZINC000478537499 893838110 /nfs/dbraw/zinc/83/81/10/893838110.db2.gz VVNQJYUIQYNNFO-MRXNPFEDSA-N 0 0 404.875 4.180 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000478548750 893844849 /nfs/dbraw/zinc/84/48/49/893844849.db2.gz KBMDWTWKVCLFBY-UHFFFAOYSA-N 0 0 407.861 4.357 20 30 HIEDRN CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000478584271 893860387 /nfs/dbraw/zinc/86/03/87/893860387.db2.gz HFZGYZMBUTWUCP-LJQANCHMSA-N 0 0 409.490 4.003 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)[C@H]2C[C@@H](OCC)C23CCC3)cc1 ZINC000478597378 893865909 /nfs/dbraw/zinc/86/59/09/893865909.db2.gz BVPURCJJAHENFN-LEWJYISDSA-N 0 0 411.546 4.312 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000478599731 893866701 /nfs/dbraw/zinc/86/67/01/893866701.db2.gz GAVGOEFYFPMVBF-BMIGLBTASA-N 0 0 411.658 4.390 20 30 HIEDRN CCOC(=O)C1(N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CCCCC1 ZINC000478611529 893874298 /nfs/dbraw/zinc/87/42/98/893874298.db2.gz VAVLNDMTYRNMIM-UHFFFAOYSA-N 0 0 410.470 4.068 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2)c(F)c1 ZINC000505109062 913822066 /nfs/dbraw/zinc/82/20/66/913822066.db2.gz NKZRBFZXEAECLK-XMMPIXPASA-N 0 0 414.484 4.215 20 30 HIEDRN CC(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000478687803 893943565 /nfs/dbraw/zinc/94/35/65/893943565.db2.gz OCLNYBODDGEGLL-QGZVFWFLSA-N 0 0 421.566 4.227 20 30 HIEDRN COc1ccc(-c2nc(SCC#Cc3ccccc3)n[nH]2)cc1Br ZINC000478709298 893973909 /nfs/dbraw/zinc/97/39/09/893973909.db2.gz GCRHJRISPGROIP-UHFFFAOYSA-N 0 0 400.301 4.387 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1CCc2ccccc2NC1=O ZINC000478730928 894006207 /nfs/dbraw/zinc/00/62/07/894006207.db2.gz OJKGZBMAWGHSNS-HXUWFJFHSA-N 0 0 420.538 4.397 20 30 HIEDRN C=CCOc1ccc(CNC(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)cc1 ZINC000478774839 894049962 /nfs/dbraw/zinc/04/99/62/894049962.db2.gz DLSZRUISPRGCOW-UHFFFAOYSA-N 0 0 419.481 4.447 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)CC2)c1 ZINC000478781435 894056800 /nfs/dbraw/zinc/05/68/00/894056800.db2.gz UWLQNEWGAGPWBL-UHFFFAOYSA-N 0 0 402.429 4.373 20 30 HIEDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccc(C#N)cc3)ccc2C)c1 ZINC000505129265 913833000 /nfs/dbraw/zinc/83/30/00/913833000.db2.gz OAKLLWBCTXKDQX-UHFFFAOYSA-N 0 0 419.506 4.157 20 30 HIEDRN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000505130934 913833633 /nfs/dbraw/zinc/83/36/33/913833633.db2.gz PHUAUJFNSIFWRC-SFHVURJKSA-N 0 0 413.543 4.056 20 30 HIEDRN COc1ccc(Br)cc1CN(C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000505133501 913834669 /nfs/dbraw/zinc/83/46/69/913834669.db2.gz BSZGRCZIGGOHTB-UHFFFAOYSA-N 0 0 417.278 4.159 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000478813004 894086435 /nfs/dbraw/zinc/08/64/35/894086435.db2.gz LVERJRIESMRWGI-UHFFFAOYSA-N 0 0 400.482 4.459 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000505148508 913842400 /nfs/dbraw/zinc/84/24/00/913842400.db2.gz JJTXJFYRBARVQK-AWEZNQCLSA-N 0 0 414.303 4.004 20 30 HIEDRN C=C(C)[C@H](NC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1ccc(F)c(F)c1 ZINC000478907407 894188791 /nfs/dbraw/zinc/18/87/91/894188791.db2.gz CFPMRZREUCYQME-KRWDZBQOSA-N 0 0 415.465 4.038 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000478912834 894193921 /nfs/dbraw/zinc/19/39/21/894193921.db2.gz XZTMSCYHNZYVGR-OALUTQOASA-N 0 0 413.443 4.419 20 30 HIEDRN C=C(C)[C@@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1ccc(F)c(F)c1 ZINC000478915101 894195885 /nfs/dbraw/zinc/19/58/85/894195885.db2.gz ZSZUEBZHQLSRDK-HXUWFJFHSA-N 0 0 404.482 4.069 20 30 HIEDRN C=C(C)[C@@H](NC(=O)c1cccc(-c2nnc(CCOC)o2)c1)c1ccc(F)c(F)c1 ZINC000478918688 894199180 /nfs/dbraw/zinc/19/91/80/894199180.db2.gz YEBBAQASVCUFCI-HXUWFJFHSA-N 0 0 413.424 4.251 20 30 HIEDRN CN(Cc1nc(-c2ccccc2Cl)cs1)S(=O)(=O)c1cccc(C#N)c1 ZINC000478920617 894200248 /nfs/dbraw/zinc/20/02/48/894200248.db2.gz AXNVBOGMDALSFL-UHFFFAOYSA-N 0 0 403.916 4.156 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000478922058 894202156 /nfs/dbraw/zinc/20/21/56/894202156.db2.gz HDONDYOBVLGJEN-UHFFFAOYSA-N 0 0 423.561 4.491 20 30 HIEDRN CCn1c(SCC(=O)N(C)[C@@H](C)CC#N)nnc1-c1ccc(Cl)cc1Cl ZINC000505155103 913847074 /nfs/dbraw/zinc/84/70/74/913847074.db2.gz PRDPEURSGGGGNQ-NSHDSACASA-N 0 0 412.346 4.124 20 30 HIEDRN 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C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(I)cc1 ZINC000489027228 903133245 /nfs/dbraw/zinc/13/32/45/903133245.db2.gz RSBQGAMMAXZVRE-UHFFFAOYSA-N 0 0 421.278 4.057 20 30 HIEDRN CSc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)ccc1NC(C)=O ZINC000489032485 903139519 /nfs/dbraw/zinc/13/95/19/903139519.db2.gz YVRISQMUPHWZDG-UHFFFAOYSA-N 0 0 421.444 4.443 20 30 HIEDRN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000489041042 903145154 /nfs/dbraw/zinc/14/51/54/903145154.db2.gz LQFLNVBNDBQXFN-UHFFFAOYSA-N 0 0 402.472 4.163 20 30 HIEDRN C=CCCCS(=O)(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000489052346 903158705 /nfs/dbraw/zinc/15/87/05/903158705.db2.gz LKLQZFPGNBBZBT-UHFFFAOYSA-N 0 0 401.557 4.329 20 30 HIEDRN CCc1nc(C)c(CNc2cc(NCc3oc(CC)nc3C)c([N+](=O)[O-])cc2C#N)o1 ZINC000489089010 903189669 /nfs/dbraw/zinc/18/96/69/903189669.db2.gz PURHCQXZQYGTBK-UHFFFAOYSA-N 0 0 424.461 4.408 20 30 HIEDRN N#CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C2)cc1 ZINC000506021137 914698819 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HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCCCCc3ccc(F)cc3)C2)n1 ZINC000490472043 904027728 /nfs/dbraw/zinc/02/77/28/904027728.db2.gz USUVMZHCBYEFOX-NRFANRHFSA-N 0 0 408.521 4.146 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl ZINC000490501082 904053085 /nfs/dbraw/zinc/05/30/85/904053085.db2.gz PPVRRKNAIXRCGX-UHFFFAOYSA-N 0 0 408.260 4.037 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c(Cl)c1 ZINC000490513261 904062778 /nfs/dbraw/zinc/06/27/78/904062778.db2.gz KBNUMULBURXZRU-OAQYLSRUSA-N 0 0 421.859 4.389 20 30 HIEDRN N#Cc1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cnc1C(F)(F)F ZINC000490544628 904089505 /nfs/dbraw/zinc/08/95/05/904089505.db2.gz LVIQFJCGZIFFAR-UHFFFAOYSA-N 0 0 409.371 4.140 20 30 HIEDRN CCN(CCC#N)C(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC000490629972 904145602 /nfs/dbraw/zinc/14/56/02/904145602.db2.gz MJRKZDVTNHWIDA-UHFFFAOYSA-N 0 0 410.827 4.409 20 30 HIEDRN C[S@@](=O)Cc1cccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1 ZINC000490645120 904152881 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20 30 HIEDRN C[C@H](Nc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000506088672 914795249 /nfs/dbraw/zinc/79/52/49/914795249.db2.gz XFNQTIJQOSMMLO-VBKZILBWSA-N 0 0 419.416 4.297 20 30 HIEDRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000490826837 904270928 /nfs/dbraw/zinc/27/09/28/904270928.db2.gz MLSAHKGPKXKEPN-QHCPKHFHSA-N 0 0 424.566 4.350 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)NCC[C@H](c3ccccc3)C(F)(F)F)C2)c(F)c1 ZINC000490934968 904325632 /nfs/dbraw/zinc/32/56/32/904325632.db2.gz MJVNBMOTPFDTTI-ZWKOTPCHSA-N 0 0 419.422 4.376 20 30 HIEDRN N#CCCn1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 ZINC000506100735 914803341 /nfs/dbraw/zinc/80/33/41/914803341.db2.gz HEBZPUWJESYQME-UHFFFAOYSA-N 0 0 419.960 4.435 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCOC4(CCOCC4)C3)cc2)cc1 ZINC000491041625 904392193 /nfs/dbraw/zinc/39/21/93/904392193.db2.gz XSEWLSCIMKCOSR-FQEVSTJZSA-N 0 0 406.482 4.003 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3OC(F)(F)F)CC2)c(F)c1 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419.451 4.393 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000498866425 908267964 /nfs/dbraw/zinc/26/79/64/908267964.db2.gz LJBDVFAMSWRPKR-KGLIPLIRSA-N 0 0 401.557 4.068 20 30 HIEDRN C[C@@]1(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCN1C(=O)c1ccccc1 ZINC000498877247 908275708 /nfs/dbraw/zinc/27/57/08/908275708.db2.gz HQRNJZBKHIGPHU-SANMLTNESA-N 0 0 409.489 4.115 20 30 HIEDRN CCOc1ccc([C@@H](NS(=O)(=O)CC2(C#N)CCCC2)C(C)C)cc1OCC ZINC000498900229 908307237 /nfs/dbraw/zinc/30/72/37/908307237.db2.gz WCKSMNZQBIPUQN-FQEVSTJZSA-N 0 0 408.564 4.184 20 30 HIEDRN N#Cc1ccccc1OCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498915218 908322682 /nfs/dbraw/zinc/32/26/82/908322682.db2.gz LIDAAOVCOGZFIF-UHFFFAOYSA-N 0 0 404.341 4.104 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)c(F)c1 ZINC000498944711 908349091 /nfs/dbraw/zinc/34/90/91/908349091.db2.gz DPYGWCZBODFWDQ-UHFFFAOYSA-N 0 0 419.294 4.062 20 30 HIEDRN C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1OCCc2sccc21 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Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499389492 908751563 /nfs/dbraw/zinc/75/15/63/908751563.db2.gz PRJFBDYUOHUPCY-QGZVFWFLSA-N 0 0 412.291 4.078 20 30 HIEDRN Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cnn1-c1cccc(C)c1 ZINC000499416659 908780529 /nfs/dbraw/zinc/78/05/29/908780529.db2.gz UOFPPVDYJRZLPX-IBGZPJMESA-N 0 0 409.287 4.246 20 30 HIEDRN Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2)cs1 ZINC000499418190 908783349 /nfs/dbraw/zinc/78/33/49/908783349.db2.gz JLTIJXMSBFTBFP-HNNXBMFYSA-N 0 0 401.289 4.204 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1 ZINC000499417651 908783856 /nfs/dbraw/zinc/78/38/56/908783856.db2.gz IAUBBIWNZKWWNH-AWEZNQCLSA-N 0 0 414.437 4.334 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(Br)cc1 ZINC000499419790 908784915 /nfs/dbraw/zinc/78/49/15/908784915.db2.gz LFIYQNQXLLLGGF-XJKSGUPXSA-N 0 0 405.679 4.035 20 30 HIEDRN CSc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1NC(C)=O ZINC000499437561 908797874 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HIEDRN C=CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000499591822 908850196 /nfs/dbraw/zinc/85/01/96/908850196.db2.gz CYGBMPDBTFVOII-LJQANCHMSA-N 0 0 404.413 4.458 20 30 HIEDRN C=CCN1CC[C@H](N[C@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1=O ZINC000499618052 908856749 /nfs/dbraw/zinc/85/67/49/908856749.db2.gz INNKLGLGUZWOMR-PMACEKPBSA-N 0 0 404.432 4.180 20 30 HIEDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000499685793 908877047 /nfs/dbraw/zinc/87/70/47/908877047.db2.gz SIEIOSCNRHRBSW-FQEVSTJZSA-N 0 0 407.905 4.449 20 30 HIEDRN C[C@H]1CCCC[C@H]1CCNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000512981035 921450927 /nfs/dbraw/zinc/45/09/27/921450927.db2.gz LJPKFABHWZTPPQ-RXVVDRJESA-N 0 0 419.525 4.408 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1c(Cl)cccc1Cl ZINC000499829788 908962403 /nfs/dbraw/zinc/96/24/03/908962403.db2.gz CIFWHWLKFZYLAL-BBRMVZONSA-N 0 0 422.699 4.381 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2Cl)cc1 ZINC000499836296 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COc1ccc(C#N)cc1CN1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502349667 911329551 /nfs/dbraw/zinc/32/95/51/911329551.db2.gz AOOBBGJNPOCZBH-QFIPXVFZSA-N 0 0 420.488 4.082 20 30 HIEDRN N#Cc1cccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)n2)c1 ZINC000502357078 911339746 /nfs/dbraw/zinc/33/97/46/911339746.db2.gz VPCJDKMAORBQBU-HNNXBMFYSA-N 0 0 422.897 4.327 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3CCCc3ccccc3)cc2)c1N ZINC000502365690 911350414 /nfs/dbraw/zinc/35/04/14/911350414.db2.gz LLDMRMYBIRCWRU-JOCHJYFZSA-N 0 0 413.525 4.344 20 30 HIEDRN COc1ccc([C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000502367177 911352840 /nfs/dbraw/zinc/35/28/40/911352840.db2.gz PDFFLOQBFNBTMO-VWLOTQADSA-N 0 0 400.478 4.414 20 30 HIEDRN Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1cc(C#N)ccc1F ZINC000502385562 911373363 /nfs/dbraw/zinc/37/33/63/911373363.db2.gz LBZUASMNJXHHRV-JOCHJYFZSA-N 0 0 408.452 4.213 20 30 HIEDRN C=CCc1ccc(OCC(=O)NCCc2cc(Br)ccc2F)c(OC)c1 ZINC000502396603 911382369 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C=CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c(OC)c1 ZINC000502669407 911710661 /nfs/dbraw/zinc/71/06/61/911710661.db2.gz QVVINEMEARZEER-UHFFFAOYSA-N 0 0 407.466 4.330 20 30 HIEDRN CCc1ccsc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000502678581 911720448 /nfs/dbraw/zinc/72/04/48/911720448.db2.gz YWXGUNGRDYLSMQ-QGZVFWFLSA-N 0 0 418.360 4.096 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(CC(F)(F)F)CC2)CC1 ZINC000502679718 911722682 /nfs/dbraw/zinc/72/26/82/911722682.db2.gz OIFXZJWMOSUSSI-UHFFFAOYSA-N 0 0 410.440 4.017 20 30 HIEDRN CCN(Cc1ccccc1Br)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000502737203 911761839 /nfs/dbraw/zinc/76/18/39/911761839.db2.gz KLPSIAFSYOJZHD-LJQANCHMSA-N 0 0 409.324 4.059 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000502750240 911771570 /nfs/dbraw/zinc/77/15/70/911771570.db2.gz QRFLGPGGTPDQBG-UHFFFAOYSA-N 0 0 409.486 4.033 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000502763880 911786393 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N#Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2c1=O ZINC000502836433 911848404 /nfs/dbraw/zinc/84/84/04/911848404.db2.gz UKFYKYKGTAVDAX-UHFFFAOYSA-N 0 0 405.763 4.184 20 30 HIEDRN CCOC(=O)c1oc2ccccc2c1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000502860463 911867646 /nfs/dbraw/zinc/86/76/46/911867646.db2.gz YBLXIBROEISHBU-UHFFFAOYSA-N 0 0 406.825 4.498 20 30 HIEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CS[C@H]2CCCc3ccccc32)CC1 ZINC000502872198 911875696 /nfs/dbraw/zinc/87/56/96/911875696.db2.gz NHMWIYXNQMXJHC-PMACEKPBSA-N 0 0 411.596 4.268 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)c1cccc(OCc2cscn2)c1 ZINC000502914161 911900225 /nfs/dbraw/zinc/90/02/25/911900225.db2.gz MQKIUPPRWNSYLU-UHFFFAOYSA-N 0 0 409.536 4.257 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000502914288 911900471 /nfs/dbraw/zinc/90/04/71/911900471.db2.gz ZDWDKDIGWLOXTC-UHFFFAOYSA-N 0 0 423.818 4.498 20 30 HIEDRN Cc1cc(C(=O)Nc2cccc(OCc3ccccn3)c2)nn1-c1cccc(C#N)c1 ZINC000502930411 911917998 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CO[C@@H](c1noc(-c2cc(C)n(-c3cccc(C#N)c3)n2)n1)c1cccc(Cl)c1 ZINC000547185795 941024546 /nfs/dbraw/zinc/02/45/46/941024546.db2.gz HOVQKMGTJMZCHU-LJQANCHMSA-N 0 0 405.845 4.492 20 30 HIEDRN N#CC1(c2nc(Cc3cccc(F)c3I)no2)CCCCC1 ZINC000547266893 941048854 /nfs/dbraw/zinc/04/88/54/941048854.db2.gz UXHOFBGUFSAMLR-UHFFFAOYSA-N 0 0 411.218 4.130 20 30 HIEDRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1C ZINC000547343859 941057448 /nfs/dbraw/zinc/05/74/48/941057448.db2.gz NNTIELDDMQRVKJ-UHFFFAOYSA-N 0 0 408.845 4.053 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000547415745 941061352 /nfs/dbraw/zinc/06/13/52/941061352.db2.gz DOLAIGKTNISYRL-UHFFFAOYSA-N 0 0 413.477 4.211 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000547417305 941061354 /nfs/dbraw/zinc/06/13/54/941061354.db2.gz XBQRRGWFAHCYLJ-LLVKDONJSA-N 0 0 406.269 4.032 20 30 HIEDRN CC(=O)CCc1ccc2oc(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)c(C)c2c1 ZINC000547434715 941062560 /nfs/dbraw/zinc/06/25/60/941062560.db2.gz SGDKSDXFKGCVLE-VWLOTQADSA-N 0 0 400.478 4.444 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000547453112 941063564 /nfs/dbraw/zinc/06/35/64/941063564.db2.gz NOLWFEHNDKUTSX-UHFFFAOYSA-N 0 0 420.296 4.069 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1ccccc1OC(F)F ZINC000547455524 941063724 /nfs/dbraw/zinc/06/37/24/941063724.db2.gz LUXIRFLSWRXWGD-ZDUSSCGKSA-N 0 0 419.453 4.051 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CC[C@H](OCc2c(C)noc2C)C1)c1ccc(F)c(F)c1 ZINC000547482751 941065049 /nfs/dbraw/zinc/06/50/49/941065049.db2.gz KBPUZBDAGXVPJS-JXFKEZNVSA-N 0 0 405.445 4.188 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000547517209 941066916 /nfs/dbraw/zinc/06/69/16/941066916.db2.gz BVFLPFXREFERRC-SFHVURJKSA-N 0 0 416.334 4.176 20 30 HIEDRN CCC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000547671559 941072158 /nfs/dbraw/zinc/07/21/58/941072158.db2.gz DYUNQFOAVRQVDU-IBGZPJMESA-N 0 0 424.570 4.424 20 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/nfs/dbraw/zinc/09/28/21/941092821.db2.gz YMKVBZFMKUPSAS-UHFFFAOYSA-N 0 0 414.571 4.193 20 30 HIEDRN CCN1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000548308239 941095281 /nfs/dbraw/zinc/09/52/81/941095281.db2.gz IDLINAINHGJYCB-PKOBYXMFSA-N 0 0 407.823 4.194 20 30 HIEDRN C[C@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000548402666 941100074 /nfs/dbraw/zinc/10/00/74/941100074.db2.gz FMIHZBCRRCUXRC-HOTGVXAUSA-N 0 0 411.456 4.417 20 30 HIEDRN CC(C)OC[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 ZINC000548438536 941104250 /nfs/dbraw/zinc/10/42/50/941104250.db2.gz AOKHECYDLHQESM-GOSISDBHSA-N 0 0 414.889 4.270 20 30 HIEDRN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC(CC#N)CC1 ZINC000548516785 941112142 /nfs/dbraw/zinc/11/21/42/941112142.db2.gz SMLMVJQRKMMHCN-LJQANCHMSA-N 0 0 422.367 4.122 20 30 HIEDRN CCCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000548609702 941114737 /nfs/dbraw/zinc/11/47/37/941114737.db2.gz LGHNLOSDNBZLGH-UHFFFAOYSA-N 0 0 409.917 4.369 20 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941123480 /nfs/dbraw/zinc/12/34/80/941123480.db2.gz WRZGLJJNUURZPP-MRXNPFEDSA-N 0 0 401.432 4.363 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000548777751 941123635 /nfs/dbraw/zinc/12/36/35/941123635.db2.gz HIEGRAHADWXKNZ-UHFFFAOYSA-N 0 0 401.510 4.007 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC000548812374 941125108 /nfs/dbraw/zinc/12/51/08/941125108.db2.gz SERRPZGTRVNMPW-UHFFFAOYSA-N 0 0 411.505 4.270 20 30 HIEDRN CC(C)c1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c2cnn(C(C)C)c2n1 ZINC000548840784 941126185 /nfs/dbraw/zinc/12/61/85/941126185.db2.gz MZUDDHIQSBRTHI-UHFFFAOYSA-N 0 0 416.529 4.228 20 30 HIEDRN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548883935 941127841 /nfs/dbraw/zinc/12/78/41/941127841.db2.gz MNPHWBAWLDLUSZ-UHFFFAOYSA-N 0 0 409.489 4.319 20 30 HIEDRN C=CCn1c(C2CCCC2)nnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000548937856 941131211 /nfs/dbraw/zinc/13/12/11/941131211.db2.gz JQQTYKDNALGQTJ-WZONZLPQSA-N 0 0 408.550 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ZINC000549030902 941146123 /nfs/dbraw/zinc/14/61/23/941146123.db2.gz OTXOLMSTDKGWGV-OAHLLOKOSA-N 0 0 416.337 4.255 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(C#N)cc1 ZINC000549056330 941149796 /nfs/dbraw/zinc/14/97/96/941149796.db2.gz KFSGDUQJJQOSFR-ZDUSSCGKSA-N 0 0 402.857 4.070 20 30 HIEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000549127331 941163225 /nfs/dbraw/zinc/16/32/25/941163225.db2.gz CBGQHPYFKUKRCZ-XMMPIXPASA-N 0 0 401.514 4.403 20 30 HIEDRN Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1 ZINC000549154405 941166446 /nfs/dbraw/zinc/16/64/46/941166446.db2.gz GTLCBJAXEBZCPS-UHFFFAOYSA-N 0 0 400.511 4.266 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173080 941168281 /nfs/dbraw/zinc/16/82/81/941168281.db2.gz RCLUMEGUJYCRNQ-INIZCTEOSA-N 0 0 412.515 4.102 20 30 HIEDRN CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccccc1 ZINC000549177006 941168692 /nfs/dbraw/zinc/16/86/92/941168692.db2.gz PTTWWURDBWBHDW-UHFFFAOYSA-N 0 0 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HIEDRN C=C[C@@](C)(O)CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000554934820 942324565 /nfs/dbraw/zinc/32/45/65/942324565.db2.gz ISMBFWVZVTVUST-RUZDIDTESA-N 0 0 403.526 4.442 20 30 HIEDRN Cc1cc(NC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)nn1CCC#N ZINC000554989141 942345268 /nfs/dbraw/zinc/34/52/68/942345268.db2.gz WAIFWZJZRDOQPS-QGZVFWFLSA-N 0 0 421.467 4.903 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCc2ccccc2F)C1 ZINC000555022087 942359977 /nfs/dbraw/zinc/35/99/77/942359977.db2.gz MAOUYNBDKYQVTJ-FQEVSTJZSA-N 0 0 405.477 4.161 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000555036449 942365164 /nfs/dbraw/zinc/36/51/64/942365164.db2.gz SZFMVSGCPGJNCR-HSZRJFAPSA-N 0 0 405.477 4.056 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1cccc(OCc2ccccc2)c1 ZINC000555035918 942365336 /nfs/dbraw/zinc/36/53/36/942365336.db2.gz MUWRQTASBRBJCV-MRXNPFEDSA-N 0 0 417.440 4.092 20 30 HIEDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000555062460 942373686 /nfs/dbraw/zinc/37/36/86/942373686.db2.gz ATPIWVNSTROHQB-CABCVRRESA-N 0 0 410.827 4.162 20 30 HIEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000555070333 942375861 /nfs/dbraw/zinc/37/58/61/942375861.db2.gz BPICGJMBMSNHHJ-AOMKIAJQSA-N 0 0 401.432 4.171 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000555070339 942375879 /nfs/dbraw/zinc/37/58/79/942375879.db2.gz BPICGJMBMSNHHJ-OPAMFIHVSA-N 0 0 401.432 4.171 20 30 HIEDRN N#Cc1ccc(Br)c(CSc2nnc3ccc(Br)cn32)c1 ZINC000555071247 942376638 /nfs/dbraw/zinc/37/66/38/942376638.db2.gz PCFBKYQFPQCHBQ-UHFFFAOYSA-N 0 0 424.121 4.418 20 30 HIEDRN C[C@@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)OCCc2sccc21 ZINC000555074189 942377121 /nfs/dbraw/zinc/37/71/21/942377121.db2.gz OXKCUURYWURNFE-DEOSSOPVSA-N 0 0 418.518 4.417 20 30 HIEDRN C[C@H](C#N)CN(C)c1nnc(CN2CCCc3ccccc32)n1CCc1ccccc1 ZINC000555135744 942399072 /nfs/dbraw/zinc/39/90/72/942399072.db2.gz KIUQBUUNGGZWOR-HXUWFJFHSA-N 0 0 414.557 4.069 20 30 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HIEDRN C[C@H](Cn1ccc2ccccc21)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000557009743 942993269 /nfs/dbraw/zinc/99/32/69/942993269.db2.gz OSCWQVUCHMUXMY-MDMXATFFSA-N 0 0 402.498 4.050 20 30 HIEDRN C[C@@H]1CC[C@@]2(CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCCO3)C2)C1 ZINC000557027623 942998147 /nfs/dbraw/zinc/99/81/47/942998147.db2.gz FYCDVBVEQVKQGJ-MEKIYTOJSA-N 0 0 405.546 4.402 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(c4ccccc4)CC3)CC2)c(F)c1 ZINC000557036884 943000501 /nfs/dbraw/zinc/00/05/01/943000501.db2.gz ZYRPPBYELQSSNE-UHFFFAOYSA-N 0 0 409.480 4.401 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC000557062724 943009839 /nfs/dbraw/zinc/00/98/39/943009839.db2.gz VBPRTUKNKHKTTE-UHFFFAOYSA-N 0 0 402.483 4.015 20 30 HIEDRN Cc1ccc(I)c(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 ZINC000557064820 943010456 /nfs/dbraw/zinc/01/04/56/943010456.db2.gz CJQDWJVDRSGUQO-UHFFFAOYSA-N 0 0 417.250 4.298 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CCN(Cc4ccncc4)CC3)c2)cc1 ZINC000557085902 943016783 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C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557127335 943026827 /nfs/dbraw/zinc/02/68/27/943026827.db2.gz SBQCJWMHZHPBGJ-CYBMUJFWSA-N 0 0 420.843 4.327 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)C3CCC(OC[C@@H]4CCCO4)CC3)cc2)ccn1 ZINC000557177664 943041386 /nfs/dbraw/zinc/04/13/86/943041386.db2.gz YYEULLWEMXWRIT-MLFGXNJISA-N 0 0 421.497 4.438 20 30 HIEDRN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCC(CC(F)(F)F)CC1 ZINC000557183217 943043340 /nfs/dbraw/zinc/04/33/40/943043340.db2.gz AAKVUDPEEMRGQY-UHFFFAOYSA-N 0 0 424.320 4.230 20 30 HIEDRN COc1cccc(OC)c1OC[C@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000557218143 943054521 /nfs/dbraw/zinc/05/45/21/943054521.db2.gz XWQFYBYXBUSBCM-HXUWFJFHSA-N 0 0 405.450 4.061 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000557281445 943066166 /nfs/dbraw/zinc/06/61/66/943066166.db2.gz HWKNIDKSHSARFL-KRWDZBQOSA-N 0 0 400.438 4.241 20 30 HIEDRN Cc1cc2nc(C)c(CCC(=O)NCc3ccc(-c4ccccc4C#N)cc3)c(C)n2n1 ZINC000557304718 943069128 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C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]1c1ccccc1 ZINC000558456141 943564525 /nfs/dbraw/zinc/56/45/25/943564525.db2.gz QQCUAGRLSLCPNH-IBGZPJMESA-N 0 0 420.513 4.498 20 30 HIEDRN Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000558556803 943597001 /nfs/dbraw/zinc/59/70/01/943597001.db2.gz WPBVRABVFPKHMM-GOSISDBHSA-N 0 0 412.415 4.203 20 30 HIEDRN Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1C ZINC000558559941 943598214 /nfs/dbraw/zinc/59/82/14/943598214.db2.gz MSNMUVDEWFWCGW-UHFFFAOYSA-N 0 0 421.478 4.018 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558577676 943606111 /nfs/dbraw/zinc/60/61/11/943606111.db2.gz SLSQVTOUJQMLJF-IBGZPJMESA-N 0 0 421.501 4.071 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558577678 943606272 /nfs/dbraw/zinc/60/62/72/943606272.db2.gz SLSQVTOUJQMLJF-LJQANCHMSA-N 0 0 421.501 4.071 20 30 HIEDRN COc1cc(OC)cc(N2CC[C@@H](CNc3cccc(Br)c3C#N)C2)c1 ZINC000558601660 943614142 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HIEDRN CCC[C@@]1(C2CC2)NC(=O)N(CCC(C#N)(c2ccccc2)c2ccccc2)C1=O ZINC000558764531 943651000 /nfs/dbraw/zinc/65/10/00/943651000.db2.gz IARUDKLEBSYLAX-VWLOTQADSA-N 0 0 401.510 4.387 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000558774539 943657597 /nfs/dbraw/zinc/65/75/97/943657597.db2.gz VLEGVNDSJHOOTQ-PGRDOPGGSA-N 0 0 421.497 4.040 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000558774540 943657847 /nfs/dbraw/zinc/65/78/47/943657847.db2.gz VLEGVNDSJHOOTQ-XMSQKQJNSA-N 0 0 421.497 4.040 20 30 HIEDRN Cc1occc1C(=O)NC1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000558786314 943662683 /nfs/dbraw/zinc/66/26/83/943662683.db2.gz PQKHGEXCLKIKAD-UHFFFAOYSA-N 0 0 408.889 4.369 20 30 HIEDRN C=CCC[C@@H](Nc1nc(C)c(S(N)(=O)=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000558786004 943662732 /nfs/dbraw/zinc/66/27/32/943662732.db2.gz MLMIAXIIUQAHQK-CYBMUJFWSA-N 0 0 405.467 4.237 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)s1 ZINC000558835687 943687426 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HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1(c2ccccc2)CC1 ZINC000558994170 943793000 /nfs/dbraw/zinc/79/30/00/943793000.db2.gz UHDLIHHFXCYJHC-UHFFFAOYSA-N 0 0 421.570 4.014 20 30 HIEDRN C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC000558995238 943793989 /nfs/dbraw/zinc/79/39/89/943793989.db2.gz TUPBTQFSYOYONA-RDJZCZTQSA-N 0 0 422.982 4.040 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC000558996556 943795067 /nfs/dbraw/zinc/79/50/67/943795067.db2.gz JYWYJSAKBJADCU-UHFFFAOYSA-N 0 0 422.533 4.088 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(CCC)C1 ZINC000559003708 943798304 /nfs/dbraw/zinc/79/83/04/943798304.db2.gz GEOXJYDYSNRIGA-XMMPIXPASA-N 0 0 423.609 4.435 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(CCC)C1 ZINC000559003706 943798556 /nfs/dbraw/zinc/79/85/56/943798556.db2.gz GEOXJYDYSNRIGA-DEOSSOPVSA-N 0 0 423.609 4.435 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000559003824 943798912 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4.395 20 30 HIEDRN CC(C)Sc1ccc([C@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 ZINC000559013194 943804390 /nfs/dbraw/zinc/80/43/90/943804390.db2.gz QPCJOTGDPCWUFC-KRWDZBQOSA-N 0 0 409.559 4.047 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000559022755 943807680 /nfs/dbraw/zinc/80/76/80/943807680.db2.gz RCBWKWMATFRNRY-HXUWFJFHSA-N 0 0 416.591 4.061 20 30 HIEDRN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2ccccn2)CC1 ZINC000559024710 943808376 /nfs/dbraw/zinc/80/83/76/943808376.db2.gz UHIPBOPQVYBSSM-OAQYLSRUSA-N 0 0 402.546 4.118 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NS(=O)(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000559034840 943811083 /nfs/dbraw/zinc/81/10/83/943811083.db2.gz YWBGLIHOTOTKSU-UHFFFAOYSA-N 0 0 420.481 4.305 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)o1 ZINC000559050144 943816073 /nfs/dbraw/zinc/81/60/73/943816073.db2.gz MFLHLRGBNGDNMX-DOTOQJQBSA-N 0 0 419.312 4.050 20 30 HIEDRN C=CC1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2CCCOCC)CC1 ZINC000559061250 943819397 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HIEDRN C=C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCCCO2)CC1 ZINC000559186673 943865162 /nfs/dbraw/zinc/86/51/62/943865162.db2.gz ULPRGNIYNHINKP-SFHVURJKSA-N 0 0 417.351 4.433 20 30 HIEDRN Cc1cc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCCCO2)c(C)o1 ZINC000559192997 943867695 /nfs/dbraw/zinc/86/76/95/943867695.db2.gz CTHZFJSTOYHEIM-HXUWFJFHSA-N 0 0 405.502 4.232 20 30 HIEDRN C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC12CCC2 ZINC000559206253 943872316 /nfs/dbraw/zinc/87/23/16/943872316.db2.gz PLTHERPNMLAKDX-RXVVDRJESA-N 0 0 405.546 4.402 20 30 HIEDRN Cn1cc(CN2CCC[C@H]2c2ccc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000559235579 943882692 /nfs/dbraw/zinc/88/26/92/943882692.db2.gz XZGWRXGYQHSNLW-FQEVSTJZSA-N 0 0 422.330 4.453 20 30 HIEDRN CC(C)c1cc(Br)ccc1OC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000559298295 943891942 /nfs/dbraw/zinc/89/19/42/943891942.db2.gz BFHYPRUMKBJRAM-KRWDZBQOSA-N 0 0 404.304 4.457 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 ZINC000559375166 943919694 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422.591 4.055 20 30 HIEDRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000561555986 944672465 /nfs/dbraw/zinc/67/24/65/944672465.db2.gz LIOQZAWNQPRNFM-HDICACEKSA-N 0 0 408.546 4.053 20 30 HIEDRN CC(C)(CCC#N)CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000561561764 944675664 /nfs/dbraw/zinc/67/56/64/944675664.db2.gz XWZXTDUDGQQLBD-UHFFFAOYSA-N 0 0 402.360 4.332 20 30 HIEDRN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000561567992 944680059 /nfs/dbraw/zinc/68/00/59/944680059.db2.gz BWLYKGKLBMMTHM-UTKZUKDTSA-N 0 0 417.525 4.091 20 30 HIEDRN N#Cc1ccncc1C(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000561587861 944692158 /nfs/dbraw/zinc/69/21/58/944692158.db2.gz OYTVZEZNJHRTQR-UHFFFAOYSA-N 0 0 401.466 4.121 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000561617240 944711221 /nfs/dbraw/zinc/71/12/21/944711221.db2.gz VZEPFHUBRZULPW-IBGZPJMESA-N 0 0 414.908 4.460 20 30 HIEDRN Cc1nsc(Nc2cccc(CS(=O)(=O)c3ccc(F)cc3F)c2)c1C#N ZINC000561678195 944742771 /nfs/dbraw/zinc/74/27/71/944742771.db2.gz MYJKZACPPICWMB-UHFFFAOYSA-N 0 0 405.451 4.319 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N(Cc3ccsc3)c3cccnc3)C2)c(F)c1 ZINC000561724959 944764601 /nfs/dbraw/zinc/76/46/01/944764601.db2.gz UPKNRMHSKFFCER-GOSISDBHSA-N 0 0 406.486 4.214 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000561806695 944805000 /nfs/dbraw/zinc/80/50/00/944805000.db2.gz ICVHAKCPEUIEHL-UHFFFAOYSA-N 0 0 407.392 4.022 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000561812852 944808140 /nfs/dbraw/zinc/80/81/40/944808140.db2.gz FKGTWEBLGYCRNQ-OAHLLOKOSA-N 0 0 414.444 4.622 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1Br ZINC000561817677 944810528 /nfs/dbraw/zinc/81/05/28/944810528.db2.gz ZFHGMIKCYOYHIV-LJQANCHMSA-N 0 0 412.287 4.013 20 30 HIEDRN CC(C)CC1(C)CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 ZINC000561831074 944814394 /nfs/dbraw/zinc/81/43/94/944814394.db2.gz XMIKVLJXPHDFES-UHFFFAOYSA-N 0 0 410.543 4.295 20 30 HIEDRN CCCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000561838552 944817303 /nfs/dbraw/zinc/81/73/03/944817303.db2.gz CUOXLADOHVYOBX-QFIPXVFZSA-N 0 0 421.541 4.209 20 30 HIEDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)c1 ZINC000561885714 944837417 /nfs/dbraw/zinc/83/74/17/944837417.db2.gz HBLWZYKJLGGTAS-UHFFFAOYSA-N 0 0 401.401 4.027 20 30 HIEDRN C[C@H](NCc1ccc(Br)cc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000561888141 944838635 /nfs/dbraw/zinc/83/86/35/944838635.db2.gz OYBXDCHXSAYGIA-NSHDSACASA-N 0 0 401.239 4.361 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000562022669 944898180 /nfs/dbraw/zinc/89/81/80/944898180.db2.gz VGBJCBHZEYBDOX-HXUWFJFHSA-N 0 0 418.497 4.422 20 30 HIEDRN C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC000562023837 944899174 /nfs/dbraw/zinc/89/91/74/944899174.db2.gz AOGWMRCZFGJYRC-FQEVSTJZSA-N 0 0 418.497 4.252 20 30 HIEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000562025307 944900088 /nfs/dbraw/zinc/90/00/88/944900088.db2.gz YGJRZOKOGRXZNP-INIZCTEOSA-N 0 0 402.926 4.135 20 30 HIEDRN C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC000562029730 944902378 /nfs/dbraw/zinc/90/23/78/944902378.db2.gz NKGSHOFZXCFUCI-IBGZPJMESA-N 0 0 404.514 4.360 20 30 HIEDRN C=CCn1c(-c2sccc2C)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000562032844 944903619 /nfs/dbraw/zinc/90/36/19/944903619.db2.gz MOTKLHDWPVJGEU-UHFFFAOYSA-N 0 0 400.504 4.295 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000562074152 944923444 /nfs/dbraw/zinc/92/34/44/944923444.db2.gz FWFFDCBQEQAUCX-UHFFFAOYSA-N 0 0 417.893 4.162 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2cccs2)cc1 ZINC000562106503 944942787 /nfs/dbraw/zinc/94/27/87/944942787.db2.gz YMYXXCJECKBNPG-SFHVURJKSA-N 0 0 419.572 4.170 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3cccc(OC)c3)CC2)cc1 ZINC000562140116 944967933 /nfs/dbraw/zinc/96/79/33/944967933.db2.gz RPGPBGAKBIKNQB-UHFFFAOYSA-N 0 0 405.498 4.320 20 30 HIEDRN CSc1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000562141185 944970816 /nfs/dbraw/zinc/97/08/16/944970816.db2.gz VWUCKFBSZHXUCU-UHFFFAOYSA-N 0 0 404.451 4.045 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000562150146 944979466 /nfs/dbraw/zinc/97/94/66/944979466.db2.gz IFUXCNLJWKAQPP-MRXNPFEDSA-N 0 0 422.428 4.003 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000562174000 945003189 /nfs/dbraw/zinc/00/31/89/945003189.db2.gz ZGXZMTXBHLETDS-RXAIFQJESA-N 0 0 401.557 4.281 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000562190308 945012682 /nfs/dbraw/zinc/01/26/82/945012682.db2.gz NDJKTZGCJMTZKV-MRXNPFEDSA-N 0 0 414.456 4.021 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000562214947 945024176 /nfs/dbraw/zinc/02/41/76/945024176.db2.gz RRECSMHSEPWQCD-GDLZYMKVSA-N 0 0 418.559 4.429 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000562240240 945038407 /nfs/dbraw/zinc/03/84/07/945038407.db2.gz ULSYWPYKDYACAL-UHFFFAOYSA-N 0 0 402.813 4.114 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1Cl ZINC000564158272 945407166 /nfs/dbraw/zinc/40/71/66/945407166.db2.gz XMTUAWRRIIOERN-JKSUJKDBSA-N 0 0 401.854 4.205 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000564161613 945409621 /nfs/dbraw/zinc/40/96/21/945409621.db2.gz SMNIIPXQZNJCHP-SFHVURJKSA-N 0 0 405.376 4.371 20 30 HIEDRN CSCC[C@@](C)(C#N)NC(=O)COc1ccc2ccccc2c1Br ZINC000564174879 945418797 /nfs/dbraw/zinc/41/87/97/945418797.db2.gz KYOWVWGDFXBKEC-SFHVURJKSA-N 0 0 407.333 4.133 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000564176865 945420457 /nfs/dbraw/zinc/42/04/57/945420457.db2.gz XDDUHCZLKRQOLR-UHFFFAOYSA-N 0 0 420.509 4.094 20 30 HIEDRN CSC[C@@](C)(C#N)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC000564195721 945428369 /nfs/dbraw/zinc/42/83/69/945428369.db2.gz UXBYXBISFDXZQK-OAQYLSRUSA-N 0 0 411.531 4.264 20 30 HIEDRN N#Cc1cccc(F)c1Cc1nc(Cc2c(F)ccc(Br)c2F)no1 ZINC000564281948 945493807 /nfs/dbraw/zinc/49/38/07/945493807.db2.gz BCTQVIAOTYVGQS-UHFFFAOYSA-N 0 0 408.177 4.303 20 30 HIEDRN C=C(C)Cn1c(SCc2nc(-c3ccc(O)c(C)c3)no2)nnc1-c1ccco1 ZINC000564284247 945495988 /nfs/dbraw/zinc/49/59/88/945495988.db2.gz SUZWVYIGVGVTHW-UHFFFAOYSA-N 0 0 409.471 4.471 20 30 HIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564350432 945521255 /nfs/dbraw/zinc/52/12/55/945521255.db2.gz XGDKQWJNZNRTEB-UHFFFAOYSA-N 0 0 420.812 4.447 20 30 HIEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000564375127 945539828 /nfs/dbraw/zinc/53/98/28/945539828.db2.gz BNZJCDAUWBSUJL-SFHVURJKSA-N 0 0 414.859 4.314 20 30 HIEDRN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCC[C@H](SCC)C1 ZINC000564376700 945541827 /nfs/dbraw/zinc/54/18/27/945541827.db2.gz HQGPDOMNBNVTSC-IBGZPJMESA-N 0 0 402.564 4.164 20 30 HIEDRN C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCc2ccccc2C1 ZINC000564378745 945544006 /nfs/dbraw/zinc/54/40/06/945544006.db2.gz RFWGOSAJBKHFJB-UHFFFAOYSA-N 0 0 420.513 4.110 20 30 HIEDRN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC000564383804 945546474 /nfs/dbraw/zinc/54/64/74/945546474.db2.gz AEBUJAATFKTSKH-UNMCSNQZSA-N 0 0 402.498 4.490 20 30 HIEDRN C=CCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000564384327 945546785 /nfs/dbraw/zinc/54/67/85/945546785.db2.gz MPBNCTDBHNQDBI-UHFFFAOYSA-N 0 0 417.513 4.094 20 30 HIEDRN Cc1cccnc1OC1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000564406837 945559692 /nfs/dbraw/zinc/55/96/92/945559692.db2.gz NTMWIFZBDFMWMO-QGZVFWFLSA-N 0 0 424.570 4.124 20 30 HIEDRN CC(C)OCc1nc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)no1 ZINC000564414080 945567077 /nfs/dbraw/zinc/56/70/77/945567077.db2.gz GFTMKBOFBOOOLX-KGLIPLIRSA-N 0 0 403.508 4.272 20 30 HIEDRN CCN(C[C@@H]1CCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)C1)CC(F)(F)F ZINC000564505627 945634104 /nfs/dbraw/zinc/63/41/04/945634104.db2.gz PSPVHFUYRWFGLD-JTQLQIEISA-N 0 0 418.328 4.330 20 30 HIEDRN C=CCOc1cccnc1-c1nc(Cc2ccc(OC(F)F)c(OCC)c2)no1 ZINC000564507756 945637172 /nfs/dbraw/zinc/63/71/72/945637172.db2.gz YHJHQERPSONJLD-UHFFFAOYSA-N 0 0 403.385 4.287 20 30 HIEDRN C=C(C)Cn1c(SCc2nc(-c3c(C)onc3CC)no2)nnc1-c1ccco1 ZINC000564526964 945653912 /nfs/dbraw/zinc/65/39/12/945653912.db2.gz KTYBWEBVJXEZIV-UHFFFAOYSA-N 0 0 412.475 4.315 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000564547813 945671728 /nfs/dbraw/zinc/67/17/28/945671728.db2.gz RMWZYKMVUDOALG-QGZVFWFLSA-N 0 0 402.564 4.449 20 30 HIEDRN COc1cc(OC)cc(N2CCCN(c3cccc(Br)c3C#N)CC2)c1 ZINC000564568231 945682224 /nfs/dbraw/zinc/68/22/24/945682224.db2.gz OCRZMFWVZRTVAH-UHFFFAOYSA-N 0 0 416.319 4.055 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)c1nnc(CC)n1C[C@H]1CCCO1 ZINC000564625145 945715171 /nfs/dbraw/zinc/71/51/71/945715171.db2.gz DOWMWGCKIHIHMB-MRXNPFEDSA-N 0 0 423.330 4.114 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000564670078 945721723 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HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)on2)c1 ZINC000436463725 861814165 /nfs/dbraw/zinc/81/41/65/861814165.db2.gz KZLSGOYQQRIBNK-UHFFFAOYSA-N 0 0 415.434 4.174 20 30 HIEDRN CNC(=O)c1ccc(CN(C)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000029931334 847653991 /nfs/dbraw/zinc/65/39/91/847653991.db2.gz MNPMKESDHDLZHA-UHFFFAOYSA-N 0 0 412.490 4.029 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000029985890 847663987 /nfs/dbraw/zinc/66/39/87/847663987.db2.gz JWQDRZPIUXGPGI-UHFFFAOYSA-N 0 0 420.513 4.112 20 30 HIEDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029984228 847664035 /nfs/dbraw/zinc/66/40/35/847664035.db2.gz VMMWFLXPJZJJBM-UHFFFAOYSA-N 0 0 412.537 4.314 20 30 HIEDRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000029984638 847664500 /nfs/dbraw/zinc/66/45/00/847664500.db2.gz OVSPREIPGMKDGZ-HXUWFJFHSA-N 0 0 419.569 4.358 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccco1 ZINC000029991269 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COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(C#N)ccc3C)cc2)c1 ZINC000063960578 851804497 /nfs/dbraw/zinc/80/44/97/851804497.db2.gz SUXOMAHTLSVKGZ-UHFFFAOYSA-N 0 0 415.449 4.145 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000064455969 851901621 /nfs/dbraw/zinc/90/16/21/851901621.db2.gz PLMVGHSURKZOOG-UHFFFAOYSA-N 0 0 412.449 4.354 20 30 HIEDRN C[C@@H](Oc1ccccc1)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000064463127 851903210 /nfs/dbraw/zinc/90/32/10/851903210.db2.gz SVHUROMKDMZNBC-CYBMUJFWSA-N 0 0 401.264 4.144 20 30 HIEDRN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000064477358 851907868 /nfs/dbraw/zinc/90/78/68/851907868.db2.gz VVWVBYCTKYUEJV-UHFFFAOYSA-N 0 0 421.478 4.500 20 30 HIEDRN C=CCOc1cccc(NC(=O)NCc2cc3c(c(Br)c2)OCO3)c1 ZINC000064532817 851923013 /nfs/dbraw/zinc/92/30/13/851923013.db2.gz RIVNBLSMHYNRIU-UHFFFAOYSA-N 0 0 405.248 4.064 20 30 HIEDRN C=CCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC000064654893 851949677 /nfs/dbraw/zinc/94/96/77/851949677.db2.gz 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C#CCOc1ccc(Br)cc1CNc1cc(C(=O)N(C)C)ccc1Cl ZINC000327386087 855417096 /nfs/dbraw/zinc/41/70/96/855417096.db2.gz QFVUOTDTVQJMRC-UHFFFAOYSA-N 0 0 421.722 4.428 20 30 HIEDRN N#CC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000397733171 855473079 /nfs/dbraw/zinc/47/30/79/855473079.db2.gz WZOCMYGVDTUOAE-VIFPVBQESA-N 0 0 412.136 4.070 20 30 HIEDRN Cc1ccc(OC2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)cc1C ZINC000409472498 855498344 /nfs/dbraw/zinc/49/83/44/855498344.db2.gz YPUBBLKTYOOORE-UHFFFAOYSA-N 0 0 400.482 4.044 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000437380974 862689050 /nfs/dbraw/zinc/68/90/50/862689050.db2.gz ACDXIVFVZYRGFZ-CQSZACIVSA-N 0 0 401.919 4.438 20 30 HIEDRN COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409536953 855530513 /nfs/dbraw/zinc/53/05/13/855530513.db2.gz PWUPBCBEXZQXGQ-UHFFFAOYSA-N 0 0 418.824 4.060 20 30 HIEDRN C=CCN(Cc1cccs1)S(=O)(=O)Cc1cc(OC)ccc1Br ZINC000409546768 855535821 /nfs/dbraw/zinc/53/58/21/855535821.db2.gz GJERIXZAKNJFAQ-UHFFFAOYSA-N 0 0 416.362 4.037 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N(Cc1ccc(-c2ccc(F)cc2)s1)C(C)C ZINC000409573541 855547086 /nfs/dbraw/zinc/54/70/86/855547086.db2.gz XTGXCVGYPRYVQO-UHFFFAOYSA-N 0 0 409.552 4.245 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCC(OC3CCCCC3)CC2)ccc1C(F)(F)F ZINC000409586952 855553921 /nfs/dbraw/zinc/55/39/21/855553921.db2.gz MSABJAHDAHXCRR-UHFFFAOYSA-N 0 0 416.465 4.079 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000437382112 862693317 /nfs/dbraw/zinc/69/33/17/862693317.db2.gz TUQGICNPMQZLRG-UHFFFAOYSA-N 0 0 401.441 4.173 20 30 HIEDRN C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409597460 855558017 /nfs/dbraw/zinc/55/80/17/855558017.db2.gz MRVBMSFKWGARRP-SNVBAGLBSA-N 0 0 404.360 4.237 20 30 HIEDRN CCOc1cccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000409606496 855562122 /nfs/dbraw/zinc/56/21/22/855562122.db2.gz ACGPDIKRKIIWRX-QGZVFWFLSA-N 0 0 420.513 4.078 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000409611709 855563986 /nfs/dbraw/zinc/56/39/86/855563986.db2.gz JNSUSFNXLRTAPS-UHFFFAOYSA-N 0 0 424.909 4.082 20 30 HIEDRN Cc1cccc(C(C)(C)CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000409621013 855568307 /nfs/dbraw/zinc/56/83/07/855568307.db2.gz KMLQJDCBBFPYMX-UHFFFAOYSA-N 0 0 418.541 4.205 20 30 HIEDRN Cc1ccc(C[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c2ccccn2)cc1 ZINC000409695294 855605859 /nfs/dbraw/zinc/60/58/59/855605859.db2.gz HTMOPHKHHPUQOO-XMMPIXPASA-N 0 0 407.477 4.161 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409748001 855633919 /nfs/dbraw/zinc/63/39/19/855633919.db2.gz FNNCYXIGCCQMAQ-OALUTQOASA-N 0 0 410.315 4.174 20 30 HIEDRN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000409782426 855651519 /nfs/dbraw/zinc/65/15/19/855651519.db2.gz CYLQVFJCCPCOSI-CGRMTHRGSA-N 0 0 417.509 4.255 20 30 HIEDRN CC(C)Oc1ccc(-c2cccc([C@H](C)N(C)C(=O)[C@@H](C)n3cnc(C#N)n3)c2)cc1 ZINC000409818975 855671201 /nfs/dbraw/zinc/67/12/01/855671201.db2.gz YNODHKLQZDLRML-ZWKOTPCHSA-N 0 0 417.513 4.385 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc4cccc(Br)c4n3)n2)c1 ZINC000409822545 855672786 /nfs/dbraw/zinc/67/27/86/855672786.db2.gz VTWKFDIAGTUOMG-UHFFFAOYSA-N 0 0 418.254 4.307 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)n2)c1 ZINC000409867700 855696711 /nfs/dbraw/zinc/69/67/11/855696711.db2.gz LAJGGYLDRAFMBY-SFHVURJKSA-N 0 0 420.900 4.329 20 30 HIEDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1OC ZINC000409868680 855696819 /nfs/dbraw/zinc/69/68/19/855696819.db2.gz FJASHZCEGUSWSG-UHFFFAOYSA-N 0 0 424.478 4.477 20 30 HIEDRN CC(C)(C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1Br ZINC000409877649 855702525 /nfs/dbraw/zinc/70/25/25/855702525.db2.gz SJVKPFRDUIKDCX-IBGZPJMESA-N 0 0 413.315 4.198 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409904450 855715870 /nfs/dbraw/zinc/71/58/70/855715870.db2.gz DUJISGGMRBKIOV-LBPRGKRZSA-N 0 0 406.446 4.074 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000409910490 855719822 /nfs/dbraw/zinc/71/98/22/855719822.db2.gz LYHXCVPZZVUUMK-DLBZAZTESA-N 0 0 418.299 4.456 20 30 HIEDRN CN(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000409921309 855725282 /nfs/dbraw/zinc/72/52/82/855725282.db2.gz UJYYOKAMSIUATE-UHFFFAOYSA-N 0 0 410.521 4.284 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC(=Cc4ccc(F)c(F)c4)CC3)n2)c1 ZINC000409940010 855735084 /nfs/dbraw/zinc/73/50/84/855735084.db2.gz YXBCKGNLAXZJBI-UHFFFAOYSA-N 0 0 404.420 4.342 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)CCc3cc(Br)cs3)CC2)cc1 ZINC000409948855 855739952 /nfs/dbraw/zinc/73/99/52/855739952.db2.gz RPZSHZOSRWLVPY-UHFFFAOYSA-N 0 0 419.344 4.385 20 30 HIEDRN N#C[C@@H](NC(=O)c1cc2ccccc2c(=O)o1)c1ccc(OCc2ccccc2)cc1 ZINC000409990707 855765634 /nfs/dbraw/zinc/76/56/34/855765634.db2.gz CWDUHRCVQZZVAC-JOCHJYFZSA-N 0 0 410.429 4.367 20 30 HIEDRN N#C[C@H](NC(=O)c1cc2ccccc2c(=O)o1)c1ccc(OCc2ccccc2)cc1 ZINC000409990710 855765798 /nfs/dbraw/zinc/76/57/98/855765798.db2.gz CWDUHRCVQZZVAC-QFIPXVFZSA-N 0 0 410.429 4.367 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000437392259 862718950 /nfs/dbraw/zinc/71/89/50/862718950.db2.gz WOADMBZJLIDHLM-LBPRGKRZSA-N 0 0 421.284 4.127 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000410025654 855785418 /nfs/dbraw/zinc/78/54/18/855785418.db2.gz ADLXJTNJKMSLFT-LJQANCHMSA-N 0 0 410.474 4.182 20 30 HIEDRN N#Cc1cccc(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)c1 ZINC000410098776 855818984 /nfs/dbraw/zinc/81/89/84/855818984.db2.gz ZKYFWCIMEYLOCF-UHFFFAOYSA-N 0 0 403.236 4.231 20 30 HIEDRN N#Cc1ccccc1OCC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410112131 855826081 /nfs/dbraw/zinc/82/60/81/855826081.db2.gz ZKNPYGUVPLOIBR-UHFFFAOYSA-N 0 0 406.379 4.443 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000410122567 855830149 /nfs/dbraw/zinc/83/01/49/855830149.db2.gz ZLKJJARLYNUTNI-WBVHZDCISA-N 0 0 420.604 4.146 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000410127429 855831363 /nfs/dbraw/zinc/83/13/63/855831363.db2.gz MZJANENBBVCNHY-OAHLLOKOSA-N 0 0 417.497 4.176 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000410129556 855832221 /nfs/dbraw/zinc/83/22/21/855832221.db2.gz ZUXIQNSQZDOMEC-QRWLVFNGSA-N 0 0 423.941 4.227 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1ccc(Br)cc1I ZINC000410133765 855834253 /nfs/dbraw/zinc/83/42/53/855834253.db2.gz JCKBVXFHXJLPQW-JTQLQIEISA-N 0 0 408.077 4.138 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000410138562 855835202 /nfs/dbraw/zinc/83/52/02/855835202.db2.gz GGSFCDLASQGBBP-UHFFFAOYSA-N 0 0 420.410 4.138 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1=O ZINC000410139362 855836149 /nfs/dbraw/zinc/83/61/49/855836149.db2.gz CAYBDIZTFNSTOP-HNNXBMFYSA-N 0 0 424.444 4.173 20 30 HIEDRN Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)co2)cc1 ZINC000410146473 855837876 /nfs/dbraw/zinc/83/78/76/855837876.db2.gz YJFWPJSTTOZTCK-UHFFFAOYSA-N 0 0 421.400 4.019 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410203477 855861643 /nfs/dbraw/zinc/86/16/43/855861643.db2.gz GXJLMIZQTCZNSS-UHFFFAOYSA-N 0 0 415.896 4.349 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000410238000 855875596 /nfs/dbraw/zinc/87/55/96/855875596.db2.gz RXIJABRWELPQDW-RHSMWYFYSA-N 0 0 413.543 4.180 20 30 HIEDRN Cc1nc(SCC(=O)N2CCC(N3CCc4ccccc43)CC2)c(C#N)c(C)c1C ZINC000410281006 855900004 /nfs/dbraw/zinc/90/00/04/855900004.db2.gz DGVFHQCFISPYDW-UHFFFAOYSA-N 0 0 420.582 4.024 20 30 HIEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410341280 855938359 /nfs/dbraw/zinc/93/83/59/855938359.db2.gz SUQBDMKBFFXZBR-UHFFFAOYSA-N 0 0 413.808 4.317 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000410346102 855940283 /nfs/dbraw/zinc/94/02/83/855940283.db2.gz SWWLPKVQUDDYEL-UHFFFAOYSA-N 0 0 411.461 4.249 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC000410348824 855942566 /nfs/dbraw/zinc/94/25/66/855942566.db2.gz BKISDJYJYFQBMC-UHFFFAOYSA-N 0 0 400.544 4.396 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000410351567 855943306 /nfs/dbraw/zinc/94/33/06/855943306.db2.gz HXGDHGUQRQBVFA-DEOSSOPVSA-N 0 0 412.489 4.457 20 30 HIEDRN C[C@@H]1C[C@@]1(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000410375979 855960658 /nfs/dbraw/zinc/96/06/58/855960658.db2.gz QZOAGYHKRGAKLU-HXOBKFHXSA-N 0 0 409.917 4.418 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000410398998 855973730 /nfs/dbraw/zinc/97/37/30/855973730.db2.gz SPANFICHOVWYHI-OAHLLOKOSA-N 0 0 407.495 4.191 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000437399685 862745469 /nfs/dbraw/zinc/74/54/69/862745469.db2.gz CMYBEZGWLQWEFQ-AWEZNQCLSA-N 0 0 419.403 4.444 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)ccc1Oc1ccccc1 ZINC000425939342 856010358 /nfs/dbraw/zinc/01/03/58/856010358.db2.gz CAJUXLHHQCRNQE-UHFFFAOYSA-N 0 0 424.460 4.129 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000426050034 856072976 /nfs/dbraw/zinc/07/29/76/856072976.db2.gz KLSGGSYTPBLZFG-ZIAGYGMSSA-N 0 0 402.848 4.083 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000426050032 856073353 /nfs/dbraw/zinc/07/33/53/856073353.db2.gz KLSGGSYTPBLZFG-KGLIPLIRSA-N 0 0 402.848 4.083 20 30 HIEDRN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N(CCC#N)Cc2ccco2)c1 ZINC000426106461 856111149 /nfs/dbraw/zinc/11/11/49/856111149.db2.gz NVOUTZQBKJWHRO-UHFFFAOYSA-N 0 0 402.882 4.361 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000426114830 856116188 /nfs/dbraw/zinc/11/61/88/856116188.db2.gz QQIROVCQVACIJI-DNVJHFABSA-N 0 0 401.510 4.208 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)c(Cl)c1 ZINC000426134117 856129574 /nfs/dbraw/zinc/12/95/74/856129574.db2.gz RGVXFGNOAIZRKX-UHFFFAOYSA-N 0 0 417.900 4.491 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000426137850 856133076 /nfs/dbraw/zinc/13/30/76/856133076.db2.gz GMBDGOXRZDMZJA-HZPDHXFCSA-N 0 0 412.921 4.143 20 30 HIEDRN N#Cc1ccc(NC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 ZINC000426140578 856134322 /nfs/dbraw/zinc/13/43/22/856134322.db2.gz ZVBAVKLSNSHJCX-UHFFFAOYSA-N 0 0 402.241 4.279 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c(Cl)c1 ZINC000426150568 856141459 /nfs/dbraw/zinc/14/14/59/856141459.db2.gz RUDVEZFSMWQEDJ-UHFFFAOYSA-N 0 0 408.889 4.045 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000426164546 856148610 /nfs/dbraw/zinc/14/86/10/856148610.db2.gz YQAHFPIYQMPAMC-UHFFFAOYSA-N 0 0 408.527 4.216 20 30 HIEDRN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)c1ncc(C#N)cc1Cl ZINC000426177317 856156403 /nfs/dbraw/zinc/15/64/03/856156403.db2.gz DZAXGJOJVWOSSV-CHWSQXEVSA-N 0 0 422.838 4.365 20 30 HIEDRN CCc1cnc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000426176552 856156717 /nfs/dbraw/zinc/15/67/17/856156717.db2.gz AMQSKSLCVPFHEX-AWEZNQCLSA-N 0 0 404.495 4.060 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(F)c(F)c1 ZINC000426224994 856187221 /nfs/dbraw/zinc/18/72/21/856187221.db2.gz CXRVUGNIGHZXLA-FZKQIMNGSA-N 0 0 412.444 4.131 20 30 HIEDRN C=CCN(C(=O)[C@H](C)c1ccc(Cl)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000426288207 856222598 /nfs/dbraw/zinc/22/25/98/856222598.db2.gz AYSNCZMRKDEQLW-KGLIPLIRSA-N 0 0 401.923 4.257 20 30 HIEDRN COCCCOc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cc1 ZINC000426298319 856229437 /nfs/dbraw/zinc/22/94/37/856229437.db2.gz KHGPIEMGSOOQGQ-UHFFFAOYSA-N 0 0 404.470 4.028 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N2CCc3ccc(F)c(F)c3C2)CC1 ZINC000426360731 856259382 /nfs/dbraw/zinc/25/93/82/856259382.db2.gz KSBRPIWIICVYIT-UHFFFAOYSA-N 0 0 411.452 4.294 20 30 HIEDRN O=C(c1cccc(F)c1)N1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426411706 856278867 /nfs/dbraw/zinc/27/88/67/856278867.db2.gz QQLSCXXCJLUQKM-UHFFFAOYSA-N 0 0 404.407 4.044 20 30 HIEDRN CC(C)CCc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)n[nH]1 ZINC000426426525 856284574 /nfs/dbraw/zinc/28/45/74/856284574.db2.gz YOENPECSLTXLSB-UHFFFAOYSA-N 0 0 417.469 4.239 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(CCn2cnc3ccccc3c2=O)no1 ZINC000426425536 856284661 /nfs/dbraw/zinc/28/46/61/856284661.db2.gz BKOABZBKIAZCHJ-UHFFFAOYSA-N 0 0 413.462 4.084 20 30 HIEDRN COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)c1C ZINC000426434221 856289355 /nfs/dbraw/zinc/28/93/55/856289355.db2.gz WHFTUMQCQCKTDA-UHFFFAOYSA-N 0 0 419.437 4.343 20 30 HIEDRN CCOc1cc(Br)c(Cc2noc(-c3ccc(C#N)o3)n2)cc1OCC ZINC000426437200 856290491 /nfs/dbraw/zinc/29/04/91/856290491.db2.gz LWPMLOGJGWZAKW-UHFFFAOYSA-N 0 0 418.247 4.352 20 30 HIEDRN CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3cccc(C)c3C#N)n[nH]2)CC1 ZINC000426449151 856295776 /nfs/dbraw/zinc/29/57/76/856295776.db2.gz GKLDGIVMCOSVNM-UHFFFAOYSA-N 0 0 407.518 4.631 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)CCCC(F)(F)F ZINC000426493955 856320092 /nfs/dbraw/zinc/32/00/92/856320092.db2.gz AMKWGASLJXQKTQ-QWHCGFSZSA-N 0 0 401.454 4.257 20 30 HIEDRN CCCO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000426561683 856349596 /nfs/dbraw/zinc/34/95/96/856349596.db2.gz XHKQEBUVCRAGJA-FQEVSTJZSA-N 0 0 421.497 4.097 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](c3nc(-c4ccc(OC(C)(C)C)cn4)no3)C2)n1 ZINC000426609563 856372523 /nfs/dbraw/zinc/37/25/23/856372523.db2.gz GVDNXKWXCVYXAE-KRWDZBQOSA-N 0 0 418.501 4.268 20 30 HIEDRN CCSc1cccc(-c2noc(CCc3c(C)nc4c(C#N)cnn4c3C)n2)c1 ZINC000426621667 856377694 /nfs/dbraw/zinc/37/76/94/856377694.db2.gz YBYHBRQMWAHAMF-UHFFFAOYSA-N 0 0 404.499 4.165 20 30 HIEDRN CC(C)(C)Oc1ccc(-c2noc([C@H]3CCC(=O)N3Cc3cccc(C#N)c3)n2)nc1 ZINC000426627729 856381129 /nfs/dbraw/zinc/38/11/29/856381129.db2.gz IBOVMIZWSGACBL-LJQANCHMSA-N 0 0 417.469 4.044 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000426670155 856404941 /nfs/dbraw/zinc/40/49/41/856404941.db2.gz CWLMGSDVTZQASV-PKOBYXMFSA-N 0 0 407.424 4.117 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCc2cccc3cccnc32)ccc1Oc1ccccc1 ZINC000426677568 856408047 /nfs/dbraw/zinc/40/80/47/856408047.db2.gz MPOSYBXAIZAYHY-UHFFFAOYSA-N 0 0 422.444 4.154 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)ccc1Oc1ccccc1 ZINC000426681308 856409580 /nfs/dbraw/zinc/40/95/80/856409580.db2.gz WZSNVVKLKXAMCL-NRFANRHFSA-N 0 0 412.449 4.048 20 30 HIEDRN Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)s1 ZINC000426692741 856416494 /nfs/dbraw/zinc/41/64/94/856416494.db2.gz VOIMVSJNYUGCNP-UHFFFAOYSA-N 0 0 405.479 4.318 20 30 HIEDRN CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1nc(C)cs1 ZINC000426708297 856424628 /nfs/dbraw/zinc/42/46/28/856424628.db2.gz IMIXRULYSXMCKM-SFHVURJKSA-N 0 0 420.494 4.322 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000437421590 862795507 /nfs/dbraw/zinc/79/55/07/862795507.db2.gz OGEAPTYVTSKWKY-CQSZACIVSA-N 0 0 401.919 4.438 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000426777895 856473469 /nfs/dbraw/zinc/47/34/69/856473469.db2.gz ROZWBYADFRLTEG-KRWDZBQOSA-N 0 0 424.266 4.077 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1OCC ZINC000426781511 856475821 /nfs/dbraw/zinc/47/58/21/856475821.db2.gz AKSXIAOVFZEFSF-GOSISDBHSA-N 0 0 420.303 4.328 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000437426855 862801947 /nfs/dbraw/zinc/80/19/47/862801947.db2.gz JRBAOATZXUWWSP-UHFFFAOYSA-N 0 0 415.877 4.222 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437426233 862802136 /nfs/dbraw/zinc/80/21/36/862802136.db2.gz ZJLSRQYJTCVSSD-DVECYGJZSA-N 0 0 424.541 4.376 20 30 HIEDRN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1 ZINC000426866879 856518468 /nfs/dbraw/zinc/51/84/68/856518468.db2.gz OQUUPTBAHKYCJT-UHFFFAOYSA-N 0 0 407.861 4.225 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O)c1ccccc1 ZINC000426893952 856530385 /nfs/dbraw/zinc/53/03/85/856530385.db2.gz LQDGWTMKLXCZKV-YADHBBJMSA-N 0 0 423.557 4.244 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000426897966 856531750 /nfs/dbraw/zinc/53/17/50/856531750.db2.gz RRSLQZRXMKMJDF-UHFFFAOYSA-N 0 0 424.501 4.179 20 30 HIEDRN CCS[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426941778 856553610 /nfs/dbraw/zinc/55/36/10/856553610.db2.gz FKIBDXCJLPWDJZ-YLJYHZDGSA-N 0 0 423.538 4.470 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4n3CC(F)(F)F)CCO2)c1 ZINC000426973377 856572102 /nfs/dbraw/zinc/57/21/02/856572102.db2.gz JXOICADWQPMOCF-FQEVSTJZSA-N 0 0 413.399 4.289 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426983753 856578391 /nfs/dbraw/zinc/57/83/91/856578391.db2.gz PIELJRPLFWISLV-PZJWPPBQSA-N 0 0 423.538 4.470 20 30 HIEDRN CC[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426984560 856579802 /nfs/dbraw/zinc/57/98/02/856579802.db2.gz SDQLGYYINMBIAA-AWEZNQCLSA-N 0 0 405.376 4.136 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000426994940 856585564 /nfs/dbraw/zinc/58/55/64/856585564.db2.gz LDUCFNVJKVSBIK-GJZGRUSLSA-N 0 0 417.214 4.297 20 30 HIEDRN C[C@H]1Oc2ccc(C(=O)C3CCN(CC#Cc4ccc(Cl)cc4)CC3)cc2NC1=O ZINC000427003003 856589225 /nfs/dbraw/zinc/58/92/25/856589225.db2.gz SSGFWCYPSHBEBY-MRXNPFEDSA-N 0 0 422.912 4.006 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(CCCCO)C3CC3)sc2C1 ZINC000427007330 856592279 /nfs/dbraw/zinc/59/22/79/856592279.db2.gz GVOUYWUMJJNNSG-INIZCTEOSA-N 0 0 417.619 4.336 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(Cl)cc1F ZINC000427072264 856620129 /nfs/dbraw/zinc/62/01/29/856620129.db2.gz CJTJGTGCUATKET-GFCCVEGCSA-N 0 0 405.882 4.128 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)c2)cc1 ZINC000427130728 856657444 /nfs/dbraw/zinc/65/74/44/856657444.db2.gz LDMKHAQOUAHCMK-XMMPIXPASA-N 0 0 419.525 4.492 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2cccc(F)c2)C2CCCC2)cc1C#N ZINC000437456990 862821475 /nfs/dbraw/zinc/82/14/75/862821475.db2.gz CHXGCIGYWRKGNH-UHFFFAOYSA-N 0 0 423.488 4.394 20 30 HIEDRN C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(I)cc1 ZINC000437461390 862824405 /nfs/dbraw/zinc/82/44/05/862824405.db2.gz QDARZAXQGDGMCS-ZDUSSCGKSA-N 0 0 401.313 4.114 20 30 HIEDRN Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c(=O)[nH]1 ZINC000437461729 862824512 /nfs/dbraw/zinc/82/45/12/862824512.db2.gz ROQBMDPPCXHPCA-UHFFFAOYSA-N 0 0 406.417 4.173 20 30 HIEDRN C=CC[C@@H](C(=O)N1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1)c1ccccc1 ZINC000427231464 856726372 /nfs/dbraw/zinc/72/63/72/856726372.db2.gz VZZUYVUSDQAYMB-RTBURBONSA-N 0 0 410.480 4.386 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)c1 ZINC000427244031 856733348 /nfs/dbraw/zinc/73/33/48/856733348.db2.gz UEWYPRBPBPGCGQ-UHFFFAOYSA-N 0 0 407.401 4.345 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c1C#N ZINC000437467419 862830084 /nfs/dbraw/zinc/83/00/84/862830084.db2.gz NBYSWASRUPTZGK-UHFFFAOYSA-N 0 0 401.441 4.173 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000427266784 856743981 /nfs/dbraw/zinc/74/39/81/856743981.db2.gz LOVVXTUTXNFMKR-UHFFFAOYSA-N 0 0 408.502 4.299 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1 ZINC000427311910 856764460 /nfs/dbraw/zinc/76/44/60/856764460.db2.gz FZUHTJARLPOIJB-HNNXBMFYSA-N 0 0 407.942 4.010 20 30 HIEDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000427338671 856780325 /nfs/dbraw/zinc/78/03/25/856780325.db2.gz QLPAIDGRYRYRGS-LUCMSJLKSA-N 0 0 414.502 4.299 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000427348030 856786931 /nfs/dbraw/zinc/78/69/31/856786931.db2.gz UBBZKLXPHFITPN-JOCHJYFZSA-N 0 0 415.880 4.414 20 30 HIEDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CC2 ZINC000427426863 856815081 /nfs/dbraw/zinc/81/50/81/856815081.db2.gz HEBFRCALLFLVFZ-IBGZPJMESA-N 0 0 415.415 4.443 20 30 HIEDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)CC2 ZINC000427438366 856820039 /nfs/dbraw/zinc/82/00/39/856820039.db2.gz FNBKJTCFHSFQFY-JOCHJYFZSA-N 0 0 405.498 4.235 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000437480591 862839845 /nfs/dbraw/zinc/83/98/45/862839845.db2.gz LLBOMMDXUYAPPN-DVECYGJZSA-N 0 0 417.509 4.259 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427457944 856829158 /nfs/dbraw/zinc/82/91/58/856829158.db2.gz WITCEBNWUNQZGB-BTYIYWSLSA-N 0 0 406.873 4.017 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000437483463 862842039 /nfs/dbraw/zinc/84/20/39/862842039.db2.gz RKCVVELNLSEUJF-PBHICJAKSA-N 0 0 419.528 4.222 20 30 HIEDRN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)o1 ZINC000437484275 862842078 /nfs/dbraw/zinc/84/20/78/862842078.db2.gz OFLXDBHAGHVHLV-QRWLVFNGSA-N 0 0 403.486 4.095 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1cc(Cl)ccc1Cl ZINC000427506123 856844625 /nfs/dbraw/zinc/84/46/25/856844625.db2.gz QLMGSRADKJGOCV-ZDUSSCGKSA-N 0 0 420.296 4.492 20 30 HIEDRN O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000427537421 856854742 /nfs/dbraw/zinc/85/47/42/856854742.db2.gz QFVMAHMRNWSRJF-NSHDSACASA-N 0 0 423.328 4.444 20 30 HIEDRN O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000427546649 856859011 /nfs/dbraw/zinc/85/90/11/856859011.db2.gz MGHNSZHFHJIYDV-NSHDSACASA-N 0 0 423.328 4.444 20 30 HIEDRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCO)Cc1cccc(F)c1 ZINC000427556247 856864574 /nfs/dbraw/zinc/86/45/74/856864574.db2.gz YOYMSPFWBGZAMB-UHFFFAOYSA-N 0 0 409.301 4.498 20 30 HIEDRN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F ZINC000427558879 856865442 /nfs/dbraw/zinc/86/54/42/856865442.db2.gz ICJGRFMNKMJHPI-GFCCVEGCSA-N 0 0 423.328 4.444 20 30 HIEDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000427726077 856924604 /nfs/dbraw/zinc/92/46/04/856924604.db2.gz DVULWHXLZCXWBH-VIFPVBQESA-N 0 0 412.309 4.276 20 30 HIEDRN Cc1ncc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C)C2CC2)cc1C#N ZINC000427767890 856946248 /nfs/dbraw/zinc/94/62/48/856946248.db2.gz QNCYRLUOHOHHFM-CYBMUJFWSA-N 0 0 409.433 4.274 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@]1(CC)OCCc2c3cccc(CC)c3[nH]c21 ZINC000437503984 862856901 /nfs/dbraw/zinc/85/69/01/862856901.db2.gz SWSLCZRFAGYBSZ-WYRQLCSISA-N 0 0 410.558 4.396 20 30 HIEDRN Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)ncc1Br ZINC000427838547 856976780 /nfs/dbraw/zinc/97/67/80/856976780.db2.gz JFFNYFMYMURXLK-UHFFFAOYSA-N 0 0 405.321 4.075 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000437515569 862862203 /nfs/dbraw/zinc/86/22/03/862862203.db2.gz MHQUJSZUHJGQNY-HTAPYJJXSA-N 0 0 401.938 4.091 20 30 HIEDRN CCn1cc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 ZINC000427904737 857000192 /nfs/dbraw/zinc/00/01/92/857000192.db2.gz LVOXMZICABPIOD-MRXNPFEDSA-N 0 0 410.481 4.323 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)cc1Cl ZINC000427902467 857000562 /nfs/dbraw/zinc/00/05/62/857000562.db2.gz ODGLJBYNGUOOIV-MJGOQNOKSA-N 0 0 424.884 4.214 20 30 HIEDRN COc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1NC(N)=O ZINC000427928512 857010693 /nfs/dbraw/zinc/01/06/93/857010693.db2.gz DBAIRHCHRTVCCG-UHFFFAOYSA-N 0 0 402.410 4.102 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000437514458 862861389 /nfs/dbraw/zinc/86/13/89/862861389.db2.gz OAHHPDKGERQAAY-ICSRJNTNSA-N 0 0 407.445 4.254 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000437520337 862864725 /nfs/dbraw/zinc/86/47/25/862864725.db2.gz XPSNNQLAQHPBGW-VLIAUNLRSA-N 0 0 406.935 4.015 20 30 HIEDRN CS(=O)(=O)CCc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 ZINC000437520837 862864774 /nfs/dbraw/zinc/86/47/74/862864774.db2.gz YTCMNKQPERJBFR-UHFFFAOYSA-N 0 0 419.506 4.141 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000428039111 857051650 /nfs/dbraw/zinc/05/16/50/857051650.db2.gz QCLUDFJONVAQPS-GOSISDBHSA-N 0 0 402.491 4.116 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000437532911 862869685 /nfs/dbraw/zinc/86/96/85/862869685.db2.gz GBPYLEXVNWTEOD-LEOXJPRUSA-N 0 0 410.514 4.074 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000428048304 857054672 /nfs/dbraw/zinc/05/46/72/857054672.db2.gz IIHCTCPQCSIUQE-HNNXBMFYSA-N 0 0 403.276 4.475 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(N3CCC(NC(=O)c4ccc(F)cc4)CC3)nc21 ZINC000428094679 857070919 /nfs/dbraw/zinc/07/09/19/857070919.db2.gz WHHVEQYCGRRSGM-UHFFFAOYSA-N 0 0 406.505 4.105 20 30 HIEDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000428111665 857075498 /nfs/dbraw/zinc/07/54/98/857075498.db2.gz PXHJVKVMEJHCIL-OAHLLOKOSA-N 0 0 408.445 4.146 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)o1 ZINC000428113720 857076859 /nfs/dbraw/zinc/07/68/59/857076859.db2.gz CFGZGXODPBWDPO-UHFFFAOYSA-N 0 0 411.914 4.491 20 30 HIEDRN COc1ccccc1O[C@@H](C)CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000437530378 862868488 /nfs/dbraw/zinc/86/84/88/862868488.db2.gz YKBQWHJLGKCHNK-HNNXBMFYSA-N 0 0 422.510 4.203 20 30 HIEDRN COc1ccccc1O[C@H](C)CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000437530379 862869150 /nfs/dbraw/zinc/86/91/50/862869150.db2.gz YKBQWHJLGKCHNK-OAHLLOKOSA-N 0 0 422.510 4.203 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(N3CCC(C(=O)Nc4ccc(O)cc4)CC3)nc21 ZINC000428167469 857094232 /nfs/dbraw/zinc/09/42/32/857094232.db2.gz WDQVKPWSXKKKPT-UHFFFAOYSA-N 0 0 404.514 4.128 20 30 HIEDRN N#CCCn1cc(C(=O)CN(CCc2ccccc2)[C@@H]2CCOC2)c2ccccc21 ZINC000437535063 862871481 /nfs/dbraw/zinc/87/14/81/862871481.db2.gz JHCUGPITNWOUAR-OAQYLSRUSA-N 0 0 401.510 4.071 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)Nc3cccc(F)c3-c3nc[nH]n3)c2)c1 ZINC000428215934 857115001 /nfs/dbraw/zinc/11/50/01/857115001.db2.gz NVOSCEGTPZOFSC-UHFFFAOYSA-N 0 0 413.412 4.314 20 30 HIEDRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1cccc(F)c1C#N ZINC000428232146 857120830 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CC(C)O[C@@H](CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000428360322 857172364 /nfs/dbraw/zinc/17/23/64/857172364.db2.gz CSTOYNFNNBCVTL-NRFANRHFSA-N 0 0 406.486 4.095 20 30 HIEDRN COC(=O)CCn1nc(C)c(CNc2ccc(Oc3ccccc3)c(C#N)c2)c1C ZINC000428397369 857189727 /nfs/dbraw/zinc/18/97/27/857189727.db2.gz BWRBFBYOQJEPKA-UHFFFAOYSA-N 0 0 404.470 4.339 20 30 HIEDRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccccc3-c3ccccc3C#N)n2)c1 ZINC000428416692 857197966 /nfs/dbraw/zinc/19/79/66/857197966.db2.gz AQQKRDWMJAHIQX-INIZCTEOSA-N 0 0 408.465 4.205 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000437561105 862886381 /nfs/dbraw/zinc/88/63/81/862886381.db2.gz SPGVWKHXXRQBJC-UHFFFAOYSA-N 0 0 419.403 4.014 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000428578555 857270782 /nfs/dbraw/zinc/27/07/82/857270782.db2.gz FBSWSHVHARNGTL-UHFFFAOYSA-N 0 0 404.514 4.232 20 30 HIEDRN CCOc1cccc2[nH]cc(CC(=O)N[C@H](C#N)c3ccc(Br)cc3)c21 ZINC000437574473 862894205 /nfs/dbraw/zinc/89/42/05/862894205.db2.gz FNDCYTWIOGESEO-QGZVFWFLSA-N 0 0 412.287 4.253 20 30 HIEDRN CC[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Oc1ccccc1F ZINC000428657967 857291703 /nfs/dbraw/zinc/29/17/03/857291703.db2.gz VQTYUQSWVRRPSQ-GOSISDBHSA-N 0 0 406.461 4.190 20 30 HIEDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000428722232 857309802 /nfs/dbraw/zinc/30/98/02/857309802.db2.gz OWMAKZPBUGFIIW-UHFFFAOYSA-N 0 0 424.263 4.456 20 30 HIEDRN CC(C)c1ccccc1OCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428721091 857310232 /nfs/dbraw/zinc/31/02/32/857310232.db2.gz SPMXCAQFCXCGOQ-UHFFFAOYSA-N 0 0 402.498 4.396 20 30 HIEDRN Cc1ccnc(-c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)n1 ZINC000428728334 857311896 /nfs/dbraw/zinc/31/18/96/857311896.db2.gz FBFFISHMBPGQIP-UHFFFAOYSA-N 0 0 408.465 4.482 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2ccc(OC3CCCC3)nc2)c1-c1ccccc1 ZINC000428730401 857312485 /nfs/dbraw/zinc/31/24/85/857312485.db2.gz PAFAZKPLQPNQDH-UHFFFAOYSA-N 0 0 401.470 4.432 20 30 HIEDRN C=C(C)CN(CC)C(=O)Nc1ccc(I)cc1Br ZINC000428760545 857323665 /nfs/dbraw/zinc/32/36/65/857323665.db2.gz SRSONCUXRAFENI-UHFFFAOYSA-N 0 0 423.092 4.484 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c1-c1ccccc1 ZINC000428807147 857352818 /nfs/dbraw/zinc/35/28/18/857352818.db2.gz CAAXJTZKFKUYDN-MDZDMXLPSA-N 0 0 416.466 4.331 20 30 HIEDRN CCOc1nc(C(F)(F)F)ccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000428808416 857354352 /nfs/dbraw/zinc/35/43/52/857354352.db2.gz NTGVRFPEWOLIFL-UHFFFAOYSA-N 0 0 401.388 4.300 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1C(F)(F)F ZINC000428866448 857378700 /nfs/dbraw/zinc/37/87/00/857378700.db2.gz HFBBAUPAJZDTCV-QGZVFWFLSA-N 0 0 411.424 4.159 20 30 HIEDRN C[C@H](N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1)C(F)(F)F ZINC000428881865 857386507 /nfs/dbraw/zinc/38/65/07/857386507.db2.gz MFBSEZORSJMHTI-HNNXBMFYSA-N 0 0 418.419 4.451 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1nncn1CC ZINC000428895459 857397322 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C=CCOc1ccc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1OC ZINC000430421956 858153624 /nfs/dbraw/zinc/15/36/24/858153624.db2.gz BRAALIFPZAOWTL-FXAWDEMLSA-N 0 0 422.308 4.297 20 30 HIEDRN C=CCc1cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc(OC)c1OC ZINC000430463859 858178318 /nfs/dbraw/zinc/17/83/18/858178318.db2.gz SWLOYIXTAIBJJX-QFIPXVFZSA-N 0 0 409.526 4.296 20 30 HIEDRN CC(C)(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430528044 858208451 /nfs/dbraw/zinc/20/84/51/858208451.db2.gz WJPJEQKVABDHNZ-UHFFFAOYSA-N 0 0 402.410 4.319 20 30 HIEDRN N#CCCN(Cc1cccnc1)C(=O)CCc1cc(Cl)ccc1Br ZINC000430605408 858235120 /nfs/dbraw/zinc/23/51/20/858235120.db2.gz SRFXKGZVMUMTPR-UHFFFAOYSA-N 0 0 406.711 4.373 20 30 HIEDRN C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@H]1C ZINC000430634085 858241674 /nfs/dbraw/zinc/24/16/74/858241674.db2.gz QVKRLNBENYVXSP-HOTGVXAUSA-N 0 0 414.552 4.294 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000430720369 858277976 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Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n(Cc2ccccn2)n1 ZINC000430828385 858319814 /nfs/dbraw/zinc/31/98/14/858319814.db2.gz SNJWROQQYPLEJF-UHFFFAOYSA-N 0 0 423.476 4.338 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2cc(OC)c(OC)cc2C)C(=O)[C@H]1Cc1ccccc1 ZINC000430863555 858342570 /nfs/dbraw/zinc/34/25/70/858342570.db2.gz HQVCQUHMGOXXIK-YLJYHZDGSA-N 0 0 408.498 4.135 20 30 HIEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430914565 858368983 /nfs/dbraw/zinc/36/89/83/858368983.db2.gz LRHTUKMTVZNKOI-RDPSFJRHSA-N 0 0 423.532 4.185 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNc2cccc(C(=O)N3CCC(O)CC3)c2)cc1 ZINC000430960507 858383256 /nfs/dbraw/zinc/38/32/56/858383256.db2.gz JQLLZRMSWZSUPQ-UHFFFAOYSA-N 0 0 411.505 4.434 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2ccc(F)cc2)[C@@H]2CCCO2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430991850 858395558 /nfs/dbraw/zinc/39/55/58/858395558.db2.gz RBHLEAVSGZQECZ-FDFHNCONSA-N 0 0 408.473 4.107 20 30 HIEDRN N#CCC1(CNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000431131928 858461343 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HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)NC3(c4ccc5c(c4)OCO5)CC3)s2)cc1 ZINC000431371558 858583422 /nfs/dbraw/zinc/58/34/22/858583422.db2.gz XJJWOMYPEROYQG-UHFFFAOYSA-N 0 0 418.478 4.145 20 30 HIEDRN C=CCN(C(=O)NC[C@H]1CCCCC(F)(F)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000431384462 858588905 /nfs/dbraw/zinc/58/89/05/858588905.db2.gz SOJALWQSAVYENI-IRXDYDNUSA-N 0 0 418.492 4.137 20 30 HIEDRN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000431389982 858591278 /nfs/dbraw/zinc/59/12/78/858591278.db2.gz JAHZNISPJZXWDD-OAQYLSRUSA-N 0 0 406.486 4.215 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[C@@H]3CCCC[C@H]3O)c2)c1 ZINC000431537560 858661589 /nfs/dbraw/zinc/66/15/89/858661589.db2.gz QBTNUGBBUVHTBO-PGRDOPGGSA-N 0 0 420.513 4.263 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[C@H]3CCCC[C@H]3O)c2)c1 ZINC000431537561 858661732 /nfs/dbraw/zinc/66/17/32/858661732.db2.gz QBTNUGBBUVHTBO-XMSQKQJNSA-N 0 0 420.513 4.263 20 30 HIEDRN Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431624322 858696145 /nfs/dbraw/zinc/69/61/45/858696145.db2.gz VSFUJSBAOGHHEO-QGZVFWFLSA-N 0 0 407.333 4.471 20 30 HIEDRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@H](CCCC#N)c3ccccc3)cc2F)c1 ZINC000431627638 858698464 /nfs/dbraw/zinc/69/84/64/858698464.db2.gz IDCMLPOXOLPMRX-HXUWFJFHSA-N 0 0 412.490 4.033 20 30 HIEDRN C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)cc(Cl)c2O1 ZINC000431642169 858706836 /nfs/dbraw/zinc/70/68/36/858706836.db2.gz ZZIHBMKTABSDDK-KUHUBIRLSA-N 0 0 404.919 4.377 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000431644102 858707972 /nfs/dbraw/zinc/70/79/72/858707972.db2.gz QURPOODXMOJWND-INIZCTEOSA-N 0 0 411.296 4.302 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccc(OC(F)(F)F)cc1 ZINC000431700208 858749705 /nfs/dbraw/zinc/74/97/05/858749705.db2.gz ZFXFDULRBJVRNY-QGZVFWFLSA-N 0 0 421.375 4.191 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431709034 858755050 /nfs/dbraw/zinc/75/50/50/858755050.db2.gz FLMCLAAXANKGSA-MRXNPFEDSA-N 0 0 418.522 4.457 20 30 HIEDRN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000431801095 858818570 /nfs/dbraw/zinc/81/85/70/858818570.db2.gz YVZBEIGWXJKWHU-UHFFFAOYSA-N 0 0 407.495 4.191 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1cccnc1OCC(F)(F)F)c1ccccc1 ZINC000431809263 858821769 /nfs/dbraw/zinc/82/17/69/858821769.db2.gz LCHSZJGNPRKDIT-QGZVFWFLSA-N 0 0 406.408 4.257 20 30 HIEDRN Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)n1 ZINC000431808665 858821987 /nfs/dbraw/zinc/82/19/87/858821987.db2.gz CLNDHHFOSDAZQR-NRFANRHFSA-N 0 0 402.502 4.119 20 30 HIEDRN Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cn2)n1 ZINC000431808667 858822028 /nfs/dbraw/zinc/82/20/28/858822028.db2.gz CLNDHHFOSDAZQR-OAQYLSRUSA-N 0 0 402.502 4.119 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccccc1 ZINC000431816957 858826218 /nfs/dbraw/zinc/82/62/18/858826218.db2.gz AURBREUEUBKJHG-JOCHJYFZSA-N 0 0 404.514 4.043 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2C)c1 ZINC000431837563 858834731 /nfs/dbraw/zinc/83/47/31/858834731.db2.gz XDORWZGOSREEHT-UHFFFAOYSA-N 0 0 419.506 4.334 20 30 HIEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000431854574 858840922 /nfs/dbraw/zinc/84/09/22/858840922.db2.gz COZCYZINAAHMBS-NRFANRHFSA-N 0 0 407.518 4.451 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000431856809 858841697 /nfs/dbraw/zinc/84/16/97/858841697.db2.gz GBYLBLHJRCWZKG-UHFFFAOYSA-N 0 0 414.506 4.308 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000431866670 858846688 /nfs/dbraw/zinc/84/66/88/858846688.db2.gz HKZOYEUNRHACDA-IRXDYDNUSA-N 0 0 405.498 4.287 20 30 HIEDRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)cc1 ZINC000431868681 858847225 /nfs/dbraw/zinc/84/72/25/858847225.db2.gz OGFUAVYODXRVTD-UHFFFAOYSA-N 0 0 419.506 4.253 20 30 HIEDRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)cc1 ZINC000431870862 858848163 /nfs/dbraw/zinc/84/81/63/858848163.db2.gz JXSKVANNPVDEPZ-UHFFFAOYSA-N 0 0 419.506 4.253 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000431873697 858849973 /nfs/dbraw/zinc/84/99/73/858849973.db2.gz ZCCZGCXOOIFYOO-LBPRGKRZSA-N 0 0 406.511 4.273 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000431876128 858851350 /nfs/dbraw/zinc/85/13/50/858851350.db2.gz UGSLGDGQKCWAJX-UHFFFAOYSA-N 0 0 419.466 4.090 20 30 HIEDRN COc1cccc(N2CC[C@H](CNC(=O)N[C@H](CCCC#N)c3ccccc3)C2)c1 ZINC000431903766 858863284 /nfs/dbraw/zinc/86/32/84/858863284.db2.gz VOGVBLXDEQVLCF-AUSIDOKSSA-N 0 0 406.530 4.256 20 30 HIEDRN Cc1nc(CN2CCC(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)oc1C ZINC000431921085 858870998 /nfs/dbraw/zinc/87/09/98/858870998.db2.gz WCANNTJKXZPTQC-QFIPXVFZSA-N 0 0 423.561 4.238 20 30 HIEDRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431949147 858882912 /nfs/dbraw/zinc/88/29/12/858882912.db2.gz HQHPYJQHVPWFET-FQEVSTJZSA-N 0 0 403.507 4.275 20 30 HIEDRN CCCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2C)cc1OC ZINC000431951430 858883586 /nfs/dbraw/zinc/88/35/86/858883586.db2.gz CBXBASZRZJBCTJ-QGZVFWFLSA-N 0 0 423.513 4.260 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000431986583 858906190 /nfs/dbraw/zinc/90/61/90/858906190.db2.gz MHJRISYKOYUHOH-XMMPIXPASA-N 0 0 421.497 4.461 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@@]2(CCOC2)O1 ZINC000431987963 858907158 /nfs/dbraw/zinc/90/71/58/858907158.db2.gz RZLGODTZJYCFBN-NTKDMRAZSA-N 0 0 421.497 4.461 20 30 HIEDRN N#CCCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C1=O ZINC000432033048 858940140 /nfs/dbraw/zinc/94/01/40/858940140.db2.gz ODULLUMJCPZZAK-SFTDATJTSA-N 0 0 404.445 4.205 20 30 HIEDRN C=CCN1C(=O)N(C[C@H](OC(C)C)c2ccccc2OC)C(=O)[C@@H]1Cc1ccccc1 ZINC000432034866 858942057 /nfs/dbraw/zinc/94/20/57/858942057.db2.gz CENJXQSMAWIUBV-GMAHTHKFSA-N 0 0 422.525 4.223 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N(CCCO)Cc3ccccn3)cc2)c1 ZINC000432059951 858958759 /nfs/dbraw/zinc/95/87/59/858958759.db2.gz CDGXKLKSHKMDQS-UHFFFAOYSA-N 0 0 402.454 4.162 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000432062883 858961477 /nfs/dbraw/zinc/96/14/77/858961477.db2.gz QXNDQOUENYPNHD-UHFFFAOYSA-N 0 0 402.420 4.496 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000432064046 858962206 /nfs/dbraw/zinc/96/22/06/858962206.db2.gz PODQATVZMBMNJQ-KRWDZBQOSA-N 0 0 410.392 4.395 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000432092052 858984098 /nfs/dbraw/zinc/98/40/98/858984098.db2.gz XAIZDYXFWVWELN-QZTJIDSGSA-N 0 0 422.554 4.455 20 30 HIEDRN CNC(=O)COc1ccc(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1 ZINC000432092803 858984224 /nfs/dbraw/zinc/98/42/24/858984224.db2.gz BTHOGVHUXHXUIF-AWEZNQCLSA-N 0 0 412.515 4.016 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000432093887 858985104 /nfs/dbraw/zinc/98/51/04/858985104.db2.gz SEFZVOHAIHYZNR-CYBMUJFWSA-N 0 0 416.211 4.322 20 30 HIEDRN C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C1=O ZINC000432209356 859047803 /nfs/dbraw/zinc/04/78/03/859047803.db2.gz BEICPHXCQZCMDQ-SJORKVTESA-N 0 0 408.351 4.477 20 30 HIEDRN Cc1cc(C)c(C#N)c(SCCNC(=O)c2cccnc2Oc2ccccc2)n1 ZINC000432228107 859057461 /nfs/dbraw/zinc/05/74/61/859057461.db2.gz HOVOJGHCKFXVMB-UHFFFAOYSA-N 0 0 404.495 4.280 20 30 HIEDRN C=CCn1c(SCC2(O)CCC(C(=O)OCC)CC2)nnc1-c1ccc(C)cc1 ZINC000432230908 859058691 /nfs/dbraw/zinc/05/86/91/859058691.db2.gz FIAFWMXALBGPHL-UHFFFAOYSA-N 0 0 415.559 4.016 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N(CCCO)Cc2ccccn2)cc1F ZINC000432248384 859067441 /nfs/dbraw/zinc/06/74/41/859067441.db2.gz ZDUGYMFOIQFQAO-UHFFFAOYSA-N 0 0 420.444 4.301 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000432256119 859071145 /nfs/dbraw/zinc/07/11/45/859071145.db2.gz RPHNERJRAIWKFA-OAHLLOKOSA-N 0 0 413.319 4.277 20 30 HIEDRN CC1(C)CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432298106 859090991 /nfs/dbraw/zinc/09/09/91/859090991.db2.gz VSWXIAHFCYEELL-GOSISDBHSA-N 0 0 424.444 4.118 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1Br ZINC000432305388 859095298 /nfs/dbraw/zinc/09/52/98/859095298.db2.gz BMRPXHITBDENMX-SFHVURJKSA-N 0 0 417.328 4.237 20 30 HIEDRN CC(C)C1CCC(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000432320456 859102236 /nfs/dbraw/zinc/10/22/36/859102236.db2.gz PAEGJGAWWYPNTH-AOCRQIFASA-N 0 0 401.576 4.455 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000432323062 859103503 /nfs/dbraw/zinc/10/35/03/859103503.db2.gz DEBGYLHTHLEGRU-FQEVSTJZSA-N 0 0 419.525 4.253 20 30 HIEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C#N)c1C ZINC000432337307 859109159 /nfs/dbraw/zinc/10/91/59/859109159.db2.gz QUWBFXDOUASCGY-MRXNPFEDSA-N 0 0 401.304 4.463 20 30 HIEDRN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc(C#N)c2C)C[C@@H]2CCCC[C@@H]21 ZINC000432340811 859110073 /nfs/dbraw/zinc/11/00/73/859110073.db2.gz PNWQRNGESJJRTI-HSQYWUDLSA-N 0 0 417.509 4.287 20 30 HIEDRN C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nnc1-c1ccncc1 ZINC000432376296 859129603 /nfs/dbraw/zinc/12/96/03/859129603.db2.gz WMJXVGJVIMLSPR-UHFFFAOYSA-N 0 0 404.499 4.101 20 30 HIEDRN C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nnc1-c1cccnc1 ZINC000432377739 859130864 /nfs/dbraw/zinc/13/08/64/859130864.db2.gz MBZJNFOHDYLLDO-UHFFFAOYSA-N 0 0 404.499 4.101 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432391153 859141222 /nfs/dbraw/zinc/14/12/22/859141222.db2.gz IHFMWKJIXAHFLP-INIZCTEOSA-N 0 0 404.514 4.057 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432391154 859141276 /nfs/dbraw/zinc/14/12/76/859141276.db2.gz IHFMWKJIXAHFLP-MRXNPFEDSA-N 0 0 404.514 4.057 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432400581 859144869 /nfs/dbraw/zinc/14/48/69/859144869.db2.gz JWUREPJIWCMDQG-IRXDYDNUSA-N 0 0 418.541 4.303 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)CC2)c(F)c1 ZINC000432448416 859168457 /nfs/dbraw/zinc/16/84/57/859168457.db2.gz OKJNEBOJVZBFHI-UAPYVXQJSA-N 0 0 411.452 4.335 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4OC)no3)CC2)cc1 ZINC000432479929 859185184 /nfs/dbraw/zinc/18/51/84/859185184.db2.gz XEWCJKMUDHJRDR-UHFFFAOYSA-N 0 0 419.481 4.330 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432485820 859188580 /nfs/dbraw/zinc/18/85/80/859188580.db2.gz ONIBEVBTUIGJJQ-HXUWFJFHSA-N 0 0 419.447 4.452 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000432514726 859203590 /nfs/dbraw/zinc/20/35/90/859203590.db2.gz NVVYPUDYCDZXFT-UHFFFAOYSA-N 0 0 409.555 4.096 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000432536703 859215104 /nfs/dbraw/zinc/21/51/04/859215104.db2.gz DMESYDMWGBMOIQ-MSOLQXFVSA-N 0 0 402.420 4.124 20 30 HIEDRN CN(Cc1ccc(Br)cc1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432588498 859241647 /nfs/dbraw/zinc/24/16/47/859241647.db2.gz DEMJGXZWEKGOKZ-UHFFFAOYSA-N 0 0 414.303 4.088 20 30 HIEDRN C=CCOc1c(Br)cc(CNc2ccc3c(c2)oc(=O)n3C)cc1OC ZINC000432638084 859266395 /nfs/dbraw/zinc/26/63/95/859266395.db2.gz JAYSMIFCBRONGF-UHFFFAOYSA-N 0 0 419.275 4.080 20 30 HIEDRN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cn2)cc1 ZINC000432653508 859275534 /nfs/dbraw/zinc/27/55/34/859275534.db2.gz BCFDMFRQWXHOMW-FQEVSTJZSA-N 0 0 415.453 4.134 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)nc1 ZINC000432691309 859297139 /nfs/dbraw/zinc/29/71/39/859297139.db2.gz WEFAGFVDLHZWDO-SFHVURJKSA-N 0 0 420.469 4.070 20 30 HIEDRN N#Cc1cc(NC[C@H]2CCS(=O)(=O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000432692459 859298585 /nfs/dbraw/zinc/29/85/85/859298585.db2.gz DECVYBYSTIIAGL-CYBMUJFWSA-N 0 0 410.417 4.216 20 30 HIEDRN Cc1c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)noc1-c1ccccc1F ZINC000432723680 859319333 /nfs/dbraw/zinc/31/93/33/859319333.db2.gz VVJYRBIKIRQCEA-UHFFFAOYSA-N 0 0 420.444 4.736 20 30 HIEDRN CCC(C)(C)NC(=O)c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000432747028 859332358 /nfs/dbraw/zinc/33/23/58/859332358.db2.gz LJYCMLLQEQUIKL-UHFFFAOYSA-N 0 0 416.529 4.389 20 30 HIEDRN CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000432757078 859337116 /nfs/dbraw/zinc/33/71/16/859337116.db2.gz IJRCLODSKCXIFZ-OAQYLSRUSA-N 0 0 401.466 4.418 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc1Br ZINC000432765919 859344784 /nfs/dbraw/zinc/34/47/84/859344784.db2.gz OBUBNFJZKDUCCO-UHFFFAOYSA-N 0 0 420.313 4.245 20 30 HIEDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)c1 ZINC000432766809 859346128 /nfs/dbraw/zinc/34/61/28/859346128.db2.gz QZBXTYQOSWHDPX-UIFIKXQLSA-N 0 0 404.514 4.294 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432767774 859347413 /nfs/dbraw/zinc/34/74/13/859347413.db2.gz IWBVEZSSARXGRK-INIZCTEOSA-N 0 0 414.303 4.426 20 30 HIEDRN C[C@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(N)=O ZINC000432770401 859350547 /nfs/dbraw/zinc/35/05/47/859350547.db2.gz RVLSZVHMBLJZNX-OPAMFIHVSA-N 0 0 414.465 4.130 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc1Br ZINC000432774179 859353981 /nfs/dbraw/zinc/35/39/81/859353981.db2.gz AIHBLEXFPGBONI-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000432802611 859367520 /nfs/dbraw/zinc/36/75/20/859367520.db2.gz CMEZJDJENINJDG-ZDUSSCGKSA-N 0 0 404.392 4.041 20 30 HIEDRN Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000432808907 859370080 /nfs/dbraw/zinc/37/00/80/859370080.db2.gz NBSVGVGIQJKCGJ-UHFFFAOYSA-N 0 0 411.509 4.278 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000432835496 859379017 /nfs/dbraw/zinc/37/90/17/859379017.db2.gz HYGKYAQMZHVMEZ-UHFFFAOYSA-N 0 0 403.413 4.276 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000432841854 859383844 /nfs/dbraw/zinc/38/38/44/859383844.db2.gz WHHDEDOELWEDQH-GOSISDBHSA-N 0 0 402.281 4.417 20 30 HIEDRN Cc1csc(-c2cccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2)n1 ZINC000432861170 859393320 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20 30 HIEDRN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)CC(C)(C)C#N ZINC000433303027 859626666 /nfs/dbraw/zinc/62/66/66/859626666.db2.gz JXADAOVBDTYGGE-GOSISDBHSA-N 0 0 404.470 4.185 20 30 HIEDRN N#CCCn1cc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c(-c2ccncc2)n1 ZINC000433309889 859630528 /nfs/dbraw/zinc/63/05/28/859630528.db2.gz FARVJSHGAROQHP-UHFFFAOYSA-N 0 0 424.512 4.066 20 30 HIEDRN N#CCCn1cc(CN[C@@H](c2nccs2)c2ccccc2)c(-c2ccncc2)n1 ZINC000433329482 859646975 /nfs/dbraw/zinc/64/69/75/859646975.db2.gz YIQCUGNDEDPCFK-OAQYLSRUSA-N 0 0 400.511 4.194 20 30 HIEDRN C[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)Oc1ccccc1Br ZINC000433369878 859661477 /nfs/dbraw/zinc/66/14/77/859661477.db2.gz AQBVTALMPAADQJ-DOTOQJQBSA-N 0 0 401.304 4.105 20 30 HIEDRN Cc1nc(Cc2nnc(SCC#Cc3ccc(OC(F)(F)F)cc3)o2)cs1 ZINC000433395142 859674470 /nfs/dbraw/zinc/67/44/70/859674470.db2.gz POVRCJSNHPDMOU-UHFFFAOYSA-N 0 0 411.430 4.468 20 30 HIEDRN C=CCc1cc([C@@H]2Nc3ccc(Br)cc3C(=O)N2C)cc(OC)c1O ZINC000433398463 859677165 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Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000433558013 859777484 /nfs/dbraw/zinc/77/74/84/859777484.db2.gz LPLMUTPCWYEJSF-UHFFFAOYSA-N 0 0 404.495 4.071 20 30 HIEDRN Cc1cccc(Cl)c1NC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000467668638 881462916 /nfs/dbraw/zinc/46/29/16/881462916.db2.gz YWAWSFJEHFGLKJ-UHFFFAOYSA-N 0 0 405.889 4.422 20 30 HIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(OCC(F)(F)F)cn2)cc1 ZINC000433597823 859802410 /nfs/dbraw/zinc/80/24/10/859802410.db2.gz AUNZLLFMCQCIRM-UHFFFAOYSA-N 0 0 417.309 4.099 20 30 HIEDRN COc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000467672243 881464353 /nfs/dbraw/zinc/46/43/53/881464353.db2.gz UBLDUHQTSLPKFW-UHFFFAOYSA-N 0 0 409.486 4.429 20 30 HIEDRN COC(=O)C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000433639244 859820513 /nfs/dbraw/zinc/82/05/13/859820513.db2.gz XJGLRXVNSVSHBL-INIZCTEOSA-N 0 0 420.872 4.333 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433697310 859841931 /nfs/dbraw/zinc/84/19/31/859841931.db2.gz NACGFPWISOXSHU-JPYJTQIMSA-N 0 0 416.525 4.099 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000433710455 859848047 /nfs/dbraw/zinc/84/80/47/859848047.db2.gz AAKCAZWQILGHFH-SFHVURJKSA-N 0 0 416.477 4.402 20 30 HIEDRN N#Cc1cc(NCCc2ccc(O)cc2)cc(NCCc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000433795020 859896739 /nfs/dbraw/zinc/89/67/39/859896739.db2.gz BHJBAWUSJJGMGK-UHFFFAOYSA-N 0 0 418.453 4.187 20 30 HIEDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000433823787 859914444 /nfs/dbraw/zinc/91/44/44/859914444.db2.gz PXLVPQFXOWPLFK-MGPUTAFESA-N 0 0 402.416 4.091 20 30 HIEDRN Cc1nc(NC(=O)Cc2cc(F)ccc2Br)sc1SCC#N ZINC000433844809 859929242 /nfs/dbraw/zinc/92/92/42/859929242.db2.gz UGAGRLVJAKEEGQ-UHFFFAOYSA-N 0 0 400.298 4.150 20 30 HIEDRN CCOc1nccc(C)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000433851147 859933128 /nfs/dbraw/zinc/93/31/28/859933128.db2.gz HQEBSFSVDBLLHX-OAQYLSRUSA-N 0 0 401.466 4.362 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)CC[C@H]3CCOC3)s2)c(C(F)(F)F)c1 ZINC000433874306 859946524 /nfs/dbraw/zinc/94/65/24/859946524.db2.gz VTWDMRBSCOJNFX-LBPRGKRZSA-N 0 0 409.433 4.380 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000433876053 859947854 /nfs/dbraw/zinc/94/78/54/859947854.db2.gz BKMCBBGHGNIKPN-XIKOKIGWSA-N 0 0 419.378 4.264 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCc3cc4ccccc4[nH]3)cc2)c1 ZINC000433891572 859952774 /nfs/dbraw/zinc/95/27/74/859952774.db2.gz DQLWCBUAYGLNFE-UHFFFAOYSA-N 0 0 424.460 4.129 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433890371 859953178 /nfs/dbraw/zinc/95/31/78/859953178.db2.gz KAWDCBDDUCEVRR-CYBMUJFWSA-N 0 0 422.485 4.254 20 30 HIEDRN Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1 ZINC000433898260 859956577 /nfs/dbraw/zinc/95/65/77/859956577.db2.gz RXJUNFSDIQMGCS-UHFFFAOYSA-N 0 0 403.413 4.053 20 30 HIEDRN COc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)[nH]n2)cc1OC ZINC000433954941 860000175 /nfs/dbraw/zinc/00/01/75/860000175.db2.gz XYXGGJJRZFLJNJ-UHFFFAOYSA-N 0 0 404.470 4.016 20 30 HIEDRN CC(C)Oc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccc1C(N)=O ZINC000433972837 860011184 /nfs/dbraw/zinc/01/11/84/860011184.db2.gz CBRCZGLZTAMLFW-UHFFFAOYSA-N 0 0 415.449 4.489 20 30 HIEDRN CC1(C)CCCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C#N ZINC000434017346 860042037 /nfs/dbraw/zinc/04/20/37/860042037.db2.gz MREOFDYLLIBJCS-CQSZACIVSA-N 0 0 401.410 4.246 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)[C@H]1C#N ZINC000434019929 860043970 /nfs/dbraw/zinc/04/39/70/860043970.db2.gz CFUSLLUPJBUANK-IBGZPJMESA-N 0 0 421.884 4.295 20 30 HIEDRN CC1(C)CCCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[C@@H]1C#N ZINC000434023005 860045964 /nfs/dbraw/zinc/04/59/64/860045964.db2.gz QXIXAELTFZFIFI-GOSISDBHSA-N 0 0 421.463 4.098 20 30 HIEDRN Cc1cccn2cc(COc3ccc(C(=O)N4CCCC(C)(C)[C@H]4C#N)cc3)nc12 ZINC000434025574 860047634 /nfs/dbraw/zinc/04/76/34/860047634.db2.gz OWALPSLKOKUJOJ-OAQYLSRUSA-N 0 0 402.498 4.376 20 30 HIEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000434030017 860050595 /nfs/dbraw/zinc/05/05/95/860050595.db2.gz FQFJIMZUJBDLPH-SJLPKXTDSA-N 0 0 407.352 4.185 20 30 HIEDRN CC1(C)CCCN(C(=O)c2cc(Br)sc2Br)[C@H]1C#N ZINC000434031233 860051777 /nfs/dbraw/zinc/05/17/77/860051777.db2.gz KYFFVTAXNZMHPF-VIFPVBQESA-N 0 0 406.143 4.427 20 30 HIEDRN CC1(C)CCCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@H]1C#N ZINC000434035224 860054714 /nfs/dbraw/zinc/05/47/14/860054714.db2.gz HDXHPPBQLBQUHF-SFHVURJKSA-N 0 0 421.526 4.160 20 30 HIEDRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000434035409 860054773 /nfs/dbraw/zinc/05/47/73/860054773.db2.gz HMAYIYOZOJUNDJ-PELKAZGASA-N 0 0 423.275 4.500 20 30 HIEDRN C=CCc1cc(CNC(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc(OC)c1OC ZINC000434108778 860111792 /nfs/dbraw/zinc/11/17/92/860111792.db2.gz KNMQPZJMYYDBEI-LJQANCHMSA-N 0 0 423.557 4.148 20 30 HIEDRN 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HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000439582242 864904777 /nfs/dbraw/zinc/90/47/77/864904777.db2.gz PHXFVJKYLFDMKI-UHFFFAOYSA-N 0 0 414.550 4.097 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000439593483 864916384 /nfs/dbraw/zinc/91/63/84/864916384.db2.gz IQRYRXUDDAWVHH-UHFFFAOYSA-N 0 0 410.543 4.101 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000439604178 864928593 /nfs/dbraw/zinc/92/85/93/864928593.db2.gz OGKFLERAFMBFJF-UHFFFAOYSA-N 0 0 400.548 4.321 20 30 HIEDRN Cc1ccc(Oc2ccccc2)c(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000439607718 864930584 /nfs/dbraw/zinc/93/05/84/864930584.db2.gz QCWXLPNFPFSMBN-UHFFFAOYSA-N 0 0 414.465 4.063 20 30 HIEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000439612742 864934321 /nfs/dbraw/zinc/93/43/21/864934321.db2.gz JYOIJQOKRVZTHU-MOPGFXCFSA-N 0 0 410.484 4.000 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000439622468 864947072 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CCCc1c(NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cnn1-c1cccc(C#N)c1 ZINC000439679523 865014777 /nfs/dbraw/zinc/01/47/77/865014777.db2.gz HSJCXHMMTDTBEG-IMSXRSKXSA-N 0 0 411.509 4.404 20 30 HIEDRN CCCc1c(NC(=O)N2CCOC[C@H]2c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439681399 865016393 /nfs/dbraw/zinc/01/63/93/865016393.db2.gz JGBNCDVYKGVRRZ-QHCPKHFHSA-N 0 0 415.497 4.302 20 30 HIEDRN CCCc1c(NC(=O)NCCCNc2ccccc2F)cnn1-c1cccc(C#N)c1 ZINC000439683849 865018869 /nfs/dbraw/zinc/01/88/69/865018869.db2.gz JHFKYZVCVKELCD-UHFFFAOYSA-N 0 0 420.492 4.459 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cnccc3-c3cccc(F)c3)C2)n1 ZINC000439694830 865031101 /nfs/dbraw/zinc/03/11/01/865031101.db2.gz XCWGORJQNJUBTP-IBGZPJMESA-N 0 0 415.472 4.318 20 30 HIEDRN Cc1coc(-c2cccc(NC(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)c2)n1 ZINC000467972399 881828627 /nfs/dbraw/zinc/82/86/27/881828627.db2.gz ZNRATXXTOXTWGG-LJQANCHMSA-N 0 0 401.470 4.080 20 30 HIEDRN CCCc1c(NC(=O)N2CCC3(CCOCC3)[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706150 865043555 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CC(C)(C)Nc1ccccc1NC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000440066272 865334862 /nfs/dbraw/zinc/33/48/62/865334862.db2.gz XCVKGKZHXCWQIY-NQIIRXRSSA-N 0 0 404.514 4.134 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2csc(Nc3ccc(OC)cc3)n2)cc1 ZINC000468026158 881860711 /nfs/dbraw/zinc/86/07/11/881860711.db2.gz MUNZAQOQTFZODU-UHFFFAOYSA-N 0 0 408.483 4.063 20 30 HIEDRN CCCc1c(NC(=O)CSCC(=O)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440080870 865346126 /nfs/dbraw/zinc/34/61/26/865346126.db2.gz ZVYSDBDMMPFKNG-UHFFFAOYSA-N 0 0 418.522 4.251 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(Cn3ccnc3)cc2)cnn1-c1cccc(C#N)c1 ZINC000440084585 865347582 /nfs/dbraw/zinc/34/75/82/865347582.db2.gz WWQBFVCAFCWQFB-UHFFFAOYSA-N 0 0 410.481 4.194 20 30 HIEDRN CCCc1c(NC(=O)C(=O)c2ccc(OC)c(Cl)c2)cnn1-c1cccc(C#N)c1 ZINC000440091207 865352512 /nfs/dbraw/zinc/35/25/12/865352512.db2.gz WKVZNLZUSPVMBP-UHFFFAOYSA-N 0 0 422.872 4.180 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)c(Cl)c1 ZINC000440090245 865352598 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C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000445770073 869813805 /nfs/dbraw/zinc/81/38/05/869813805.db2.gz YOCVXZXPJZAVFD-UHFFFAOYSA-N 0 0 416.506 4.144 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N(CC(F)(F)F)c1ccccc1)c1ccccc1 ZINC000445790066 869825438 /nfs/dbraw/zinc/82/54/38/869825438.db2.gz MEZBHIZCUHFTPI-UHFFFAOYSA-N 0 0 403.404 4.309 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)n1 ZINC000445824520 869846713 /nfs/dbraw/zinc/84/67/13/869846713.db2.gz MVGCCGHHZHBTHG-UHFFFAOYSA-N 0 0 404.348 4.747 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000468403065 882344890 /nfs/dbraw/zinc/34/48/90/882344890.db2.gz UUJYKKTZVWPOOU-JOCHJYFZSA-N 0 0 407.514 4.156 20 30 HIEDRN COCCOc1cc(C)ccc1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000445866267 869864482 /nfs/dbraw/zinc/86/44/82/869864482.db2.gz LSOQPBNTXUUJQB-FCHUYYIVSA-N 0 0 407.514 4.002 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3c(F)cc(Br)cc3F)CC2)c1 ZINC000445879313 869869523 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ZINC000464055138 877199149 /nfs/dbraw/zinc/19/91/49/877199149.db2.gz RNLIRMKFZABWDS-DHIUTWEWSA-N 0 0 424.566 4.481 20 30 HIEDRN CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000464072318 877223295 /nfs/dbraw/zinc/22/32/95/877223295.db2.gz RRDJGXOVSXUKGA-NRFANRHFSA-N 0 0 416.884 4.198 20 30 HIEDRN Cc1ccc2[nH]cc(CCC(=O)N3CCN(c4c(C#N)cnc5ccccc54)CC3)c2c1 ZINC000469044756 883116466 /nfs/dbraw/zinc/11/64/66/883116466.db2.gz NZHPDHFMESAWPZ-UHFFFAOYSA-N 0 0 423.520 4.178 20 30 HIEDRN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@](C)(C#N)C(C)(C)C)C2)c2ccccc12 ZINC000464162075 877329380 /nfs/dbraw/zinc/32/93/80/877329380.db2.gz KUNOIOGBNOKXQS-GKVSMKOHSA-N 0 0 421.541 4.145 20 30 HIEDRN CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)(C)C)nnc1-c1ccc(Cl)cc1 ZINC000464158500 877328075 /nfs/dbraw/zinc/32/80/75/877328075.db2.gz JVAZFOSLVAKGES-IBGZPJMESA-N 0 0 405.955 4.155 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000464196629 877366898 /nfs/dbraw/zinc/36/68/98/877366898.db2.gz CHWBCOIMUVDMSJ-ORAYPTAESA-N 0 0 424.444 4.357 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000464216172 877385431 /nfs/dbraw/zinc/38/54/31/877385431.db2.gz UESDPPQTUKQOER-IBGZPJMESA-N 0 0 420.412 4.302 20 30 HIEDRN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H](C)c2cccc(C#N)c2)n1 ZINC000464269699 877453806 /nfs/dbraw/zinc/45/38/06/877453806.db2.gz WURZYHUNWYTWJP-CYBMUJFWSA-N 0 0 410.861 4.193 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)N1CCOCC1 ZINC000464273999 877459030 /nfs/dbraw/zinc/45/90/30/877459030.db2.gz FSXPKIQSCCAVTG-AWEZNQCLSA-N 0 0 419.403 4.029 20 30 HIEDRN N#Cc1cc(NC(=O)CN2CCCCC2=O)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000464278168 877465566 /nfs/dbraw/zinc/46/55/66/877465566.db2.gz XYHVDMVIKIXODR-UHFFFAOYSA-N 0 0 417.387 4.320 20 30 HIEDRN CN1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)c2cc(F)ccc21 ZINC000464281434 877469072 /nfs/dbraw/zinc/46/90/72/877469072.db2.gz OWBUKIIUSQAWIA-UHFFFAOYSA-N 0 0 401.441 4.373 20 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4.016 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000464398914 877600177 /nfs/dbraw/zinc/60/01/77/877600177.db2.gz MWJRSUQRBFCWMZ-UHFFFAOYSA-N 0 0 401.466 4.428 20 30 HIEDRN COC(=O)C1(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)CC1 ZINC000464406308 877609303 /nfs/dbraw/zinc/60/93/03/877609303.db2.gz PSKKNZVUJLBMDA-UHFFFAOYSA-N 0 0 404.344 4.261 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000464416299 877623635 /nfs/dbraw/zinc/62/36/35/877623635.db2.gz HBSBYNRMGLWTTC-UHFFFAOYSA-N 0 0 404.470 4.107 20 30 HIEDRN CC[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1c(C)nn(C)c1C ZINC000464420190 877628215 /nfs/dbraw/zinc/62/82/15/877628215.db2.gz HCMGDEJNWIXRME-QFIPXVFZSA-N 0 0 402.498 4.369 20 30 HIEDRN N#C[C@]1(NC(=O)c2cc(Br)cc3cccnc32)CCc2ccccc2C1 ZINC000464452980 877670722 /nfs/dbraw/zinc/67/07/22/877670722.db2.gz NFCIKBOFJXYOSO-NRFANRHFSA-N 0 0 406.283 4.178 20 30 HIEDRN N#C[C@H](C(=O)c1cccc(COC2CCOCC2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464476890 877697486 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HIEDRN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000464644067 877861909 /nfs/dbraw/zinc/86/19/09/877861909.db2.gz QTDPUTWJYXDEDE-AWEZNQCLSA-N 0 0 424.302 4.109 20 30 HIEDRN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1F ZINC000464644952 877863719 /nfs/dbraw/zinc/86/37/19/877863719.db2.gz UITDEBYUXWCMDK-UHFFFAOYSA-N 0 0 401.441 4.341 20 30 HIEDRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)c(F)c3)c2)cc1 ZINC000464651798 877872524 /nfs/dbraw/zinc/87/25/24/877872524.db2.gz WXXSRFGBUHCREX-UHFFFAOYSA-N 0 0 423.469 4.083 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)n1 ZINC000464686830 877901302 /nfs/dbraw/zinc/90/13/02/877901302.db2.gz FISGRDZNFUYKRC-UHFFFAOYSA-N 0 0 406.405 4.199 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000464690089 877904858 /nfs/dbraw/zinc/90/48/58/877904858.db2.gz VENGCBIOKCDQRL-UHFFFAOYSA-N 0 0 406.405 4.055 20 30 HIEDRN C=CCc1cc(CNC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc(OC)c1OC ZINC000503305579 912288279 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ZINC000464819260 878072948 /nfs/dbraw/zinc/07/29/48/878072948.db2.gz BGLRCIGPCGYZGB-SONWIMMPSA-N 0 0 405.542 4.280 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464819235 878073519 /nfs/dbraw/zinc/07/35/19/878073519.db2.gz BDGWWELOWKTXNE-RPWUZVMVSA-N 0 0 416.525 4.104 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000464827661 878080935 /nfs/dbraw/zinc/08/09/35/878080935.db2.gz IDAVJYMYIRZKAT-RTBURBONSA-N 0 0 403.404 4.295 20 30 HIEDRN Cc1cc(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000464827309 878081553 /nfs/dbraw/zinc/08/15/53/878081553.db2.gz HEOWQFXUROOGMN-FCHUYYIVSA-N 0 0 417.488 4.030 20 30 HIEDRN COc1ccccc1N1CC[C@H](Nc2cccc(OCc3cccc(C#N)c3)c2)C1=O ZINC000464828894 878085055 /nfs/dbraw/zinc/08/50/55/878085055.db2.gz DSZKNSQADSYHJY-QFIPXVFZSA-N 0 0 413.477 4.363 20 30 HIEDRN N#Cc1c(NC(=O)CCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829892 878085790 /nfs/dbraw/zinc/08/57/90/878085790.db2.gz OXUJJACADKKQRR-ICSRJNTNSA-N 0 0 404.539 4.209 20 30 HIEDRN CCCNC(=O)C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464861142 878141451 /nfs/dbraw/zinc/14/14/51/878141451.db2.gz BLIDHPFMSGGIQW-UHFFFAOYSA-N 0 0 405.498 4.037 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000464862085 878142471 /nfs/dbraw/zinc/14/24/71/878142471.db2.gz XKZGEZLQWMWIAA-UHFFFAOYSA-N 0 0 413.477 4.291 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000464861315 878142933 /nfs/dbraw/zinc/14/29/33/878142933.db2.gz ZOPVWTNFFSGKFQ-UHFFFAOYSA-N 0 0 421.478 4.283 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1 ZINC000464863897 878145170 /nfs/dbraw/zinc/14/51/70/878145170.db2.gz BOJSUUADWOGYBG-UHFFFAOYSA-N 0 0 412.449 4.441 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000503341655 912317914 /nfs/dbraw/zinc/31/79/14/912317914.db2.gz SXVSNGRLGHYVEU-MRXNPFEDSA-N 0 0 418.472 4.471 20 30 HIEDRN Cc1nc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)oc1-c1ccc(Cl)cc1 ZINC000464889954 878188911 /nfs/dbraw/zinc/18/89/11/878188911.db2.gz HELRIOVGQFLTCT-JOCHJYFZSA-N 0 0 420.856 4.142 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 ZINC000464898125 878204442 /nfs/dbraw/zinc/20/44/42/878204442.db2.gz HJXYFEJQPUJFDM-UHFFFAOYSA-N 0 0 421.478 4.204 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC(=O)NCc2ccccc2)cc1 ZINC000464914087 878232599 /nfs/dbraw/zinc/23/25/99/878232599.db2.gz BXZIGKCAFOEMPV-UHFFFAOYSA-N 0 0 413.477 4.095 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000464924732 878248980 /nfs/dbraw/zinc/24/89/80/878248980.db2.gz GCHGNTLZARSGQT-UHFFFAOYSA-N 0 0 403.413 4.167 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1 ZINC000464934800 878264801 /nfs/dbraw/zinc/26/48/01/878264801.db2.gz QLMBVFXIEDHQOG-UHFFFAOYSA-N 0 0 418.522 4.074 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(F)cc1Br ZINC000464937240 878269655 /nfs/dbraw/zinc/26/96/55/878269655.db2.gz FAJSKJORJGPCNB-FUHWJXTLSA-N 0 0 417.278 4.265 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(Br)cc1F ZINC000464943468 878279834 /nfs/dbraw/zinc/27/98/34/878279834.db2.gz UGFXQJYNLGTTQL-AEFFLSMTSA-N 0 0 417.278 4.265 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(OC)c1OC(F)F ZINC000464949327 878287488 /nfs/dbraw/zinc/28/74/88/878287488.db2.gz HBGCMIVGDQHKOQ-SJORKVTESA-N 0 0 416.424 4.217 20 30 HIEDRN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464957397 878297676 /nfs/dbraw/zinc/29/76/76/878297676.db2.gz YRBBYCCIYZISLK-FCHUYYIVSA-N 0 0 420.509 4.355 20 30 HIEDRN COC(=O)Cc1csc(N(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000464972869 878314517 /nfs/dbraw/zinc/31/45/17/878314517.db2.gz NKDXKAVKYIRQBS-UHFFFAOYSA-N 0 0 421.478 4.108 20 30 HIEDRN N#CCN1CCC(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC000464975133 878317440 /nfs/dbraw/zinc/31/74/40/878317440.db2.gz UKHODTGUWQEGOJ-UHFFFAOYSA-N 0 0 407.480 4.259 20 30 HIEDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)nn1-c1cccc(C#N)c1 ZINC000503360013 912333982 /nfs/dbraw/zinc/33/39/82/912333982.db2.gz GMPCLGJXUBCVPZ-UHFFFAOYSA-N 0 0 416.815 4.237 20 30 HIEDRN C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-n2cccn2)cc1 ZINC000464992014 878343539 /nfs/dbraw/zinc/34/35/39/878343539.db2.gz DPDNMTPSMHRYOI-KRWDZBQOSA-N 0 0 412.449 4.407 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000503371239 912349823 /nfs/dbraw/zinc/34/98/23/912349823.db2.gz PMRLLEKYKTUZAN-HSZRJFAPSA-N 0 0 405.498 4.353 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC(=Cc4ccccc4F)CC3)C2)n1 ZINC000465099496 878470917 /nfs/dbraw/zinc/47/09/17/878470917.db2.gz SUZOXDFVIKPNFX-QFIPXVFZSA-N 0 0 418.516 4.323 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000465101420 878473120 /nfs/dbraw/zinc/47/31/20/878473120.db2.gz HAMMBDXUJQJGHT-UHFFFAOYSA-N 0 0 405.461 4.140 20 30 HIEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C=C)c1 ZINC000465119072 878498622 /nfs/dbraw/zinc/49/86/22/878498622.db2.gz YCUXWEHVKDYKCI-HNNXBMFYSA-N 0 0 404.919 4.026 20 30 HIEDRN CCCC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCC1 ZINC000465135288 878516767 /nfs/dbraw/zinc/51/67/67/878516767.db2.gz QFHHIYRIRJCAQS-SFHVURJKSA-N 0 0 410.518 4.498 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCO[C@H]2CCOC2)cc1Cl ZINC000465155972 878537885 /nfs/dbraw/zinc/53/78/85/878537885.db2.gz NNZRDOLDQLTGCR-AZUAARDMSA-N 0 0 413.905 4.313 20 30 HIEDRN CC(C)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C(C)C)c1 ZINC000465179601 878568550 /nfs/dbraw/zinc/56/85/50/878568550.db2.gz ZHEBJBDKQXEORU-QGZVFWFLSA-N 0 0 406.534 4.338 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCc2c(F)cccc2OC(F)F)c1 ZINC000465194183 878591768 /nfs/dbraw/zinc/59/17/68/878591768.db2.gz KSULVARJAWZXED-UHFFFAOYSA-N 0 0 416.355 4.401 20 30 HIEDRN COCCOCCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000465234717 878652325 /nfs/dbraw/zinc/65/23/25/878652325.db2.gz KIRXPKRHEDOAAY-UHFFFAOYSA-N 0 0 421.419 4.274 20 30 HIEDRN O=C(Nc1ccccc1CCC(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000465239317 878657960 /nfs/dbraw/zinc/65/79/60/878657960.db2.gz FYGBNEDHNQEWFQ-UHFFFAOYSA-N 0 0 415.353 4.231 20 30 HIEDRN COC(=O)C(C)(C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000465248100 878671545 /nfs/dbraw/zinc/67/15/45/878671545.db2.gz FRUIUTDVNWCDHC-UHFFFAOYSA-N 0 0 415.877 4.111 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000503400308 912380373 /nfs/dbraw/zinc/38/03/73/912380373.db2.gz ACUVGIHNKBDZRY-JOCHJYFZSA-N 0 0 418.921 4.023 20 30 HIEDRN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000465315530 878759127 /nfs/dbraw/zinc/75/91/27/878759127.db2.gz YNZLYJMINPIODX-KRWDZBQOSA-N 0 0 423.513 4.086 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000465328653 878768968 /nfs/dbraw/zinc/76/89/68/878768968.db2.gz XWDBRUQCHOMJAD-UHFFFAOYSA-N 0 0 408.395 4.474 20 30 HIEDRN CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C1CCC1 ZINC000465344344 878777618 /nfs/dbraw/zinc/77/76/18/878777618.db2.gz RHCHIHHMXQKMPH-GOSISDBHSA-N 0 0 406.486 4.159 20 30 HIEDRN COc1ccc(C2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000465384025 878825045 /nfs/dbraw/zinc/82/50/45/878825045.db2.gz UJJAIWPYWHEVMB-UHFFFAOYSA-N 0 0 419.525 4.128 20 30 HIEDRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000465450914 878882324 /nfs/dbraw/zinc/88/23/24/878882324.db2.gz BNVUZGFGPHBLTC-UHFFFAOYSA-N 0 0 419.441 4.250 20 30 HIEDRN COC[C@@H](Cc1ccccc1)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000465462516 878894939 /nfs/dbraw/zinc/89/49/39/878894939.db2.gz DGSWJEUGTFTFGZ-JOCHJYFZSA-N 0 0 416.525 4.068 20 30 HIEDRN COC(=O)CN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1cccc(C)n1 ZINC000465463680 878896356 /nfs/dbraw/zinc/89/63/56/878896356.db2.gz YJJKFTLLWXGODB-UHFFFAOYSA-N 0 0 415.449 4.182 20 30 HIEDRN CN(C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1Cl ZINC000465464413 878897994 /nfs/dbraw/zinc/89/79/94/878897994.db2.gz CLXDGQZYWJRMIA-ILWGZMRPSA-N 0 0 410.949 4.424 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N(c2ccc(F)cc2)C2CCCC2)cc1 ZINC000465475060 878911707 /nfs/dbraw/zinc/91/17/07/878911707.db2.gz VAPVEFDJPUNENU-UHFFFAOYSA-N 0 0 414.502 4.493 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000465507856 878945496 /nfs/dbraw/zinc/94/54/96/878945496.db2.gz GPQSTPRXBUBTPU-GOTSBHOMSA-N 0 0 417.557 4.443 20 30 HIEDRN C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(-n2cccn2)c1 ZINC000465560627 879031763 /nfs/dbraw/zinc/03/17/63/879031763.db2.gz AHBGLSWHSLHDHI-MRXNPFEDSA-N 0 0 412.415 4.303 20 30 HIEDRN Cc1cc(C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)nn1-c1cccc(C#N)c1 ZINC000503420553 912412876 /nfs/dbraw/zinc/41/28/76/912412876.db2.gz SQGPPVAAUKESMT-UHFFFAOYSA-N 0 0 419.432 4.193 20 30 HIEDRN CO[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1cccc(Cl)c1 ZINC000465624503 879133967 /nfs/dbraw/zinc/13/39/67/879133967.db2.gz DQUFOHHBOFDTEB-LJQANCHMSA-N 0 0 403.935 4.132 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)NCc1c(F)cccc1OC(F)F ZINC000465628116 879137155 /nfs/dbraw/zinc/13/71/55/879137155.db2.gz ICHUQKTZWGRJIC-UHFFFAOYSA-N 0 0 409.433 4.031 20 30 HIEDRN C[C@H]1CN(C(=O)NCCSCc2ccccc2C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000465640746 879155786 /nfs/dbraw/zinc/15/57/86/879155786.db2.gz XHHWVEIUUZICBR-HRAATJIYSA-N 0 0 413.518 4.102 20 30 HIEDRN CC1(C)CCCC[C@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000503428151 912425749 /nfs/dbraw/zinc/42/57/49/912425749.db2.gz FVQLIPBQYVTATL-INIZCTEOSA-N 0 0 411.525 4.121 20 30 HIEDRN C[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)Oc1ccc(Br)cc1 ZINC000465664074 879196861 /nfs/dbraw/zinc/19/68/61/879196861.db2.gz SVDBDKGMIFOZHP-KGLIPLIRSA-N 0 0 402.292 4.148 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000465746234 879333086 /nfs/dbraw/zinc/33/30/86/879333086.db2.gz IJZZDODUFLBAND-YSZBQJHXSA-N 0 0 406.505 4.133 20 30 HIEDRN CCC[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1nnc2ccccn21 ZINC000465807864 879424885 /nfs/dbraw/zinc/42/48/85/879424885.db2.gz RHDGRIVOKFUGKD-AABGKKOBSA-N 0 0 402.502 4.052 20 30 HIEDRN C=CCc1cc(CNC(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)cc(OC)c1OC ZINC000465813030 879432530 /nfs/dbraw/zinc/43/25/30/879432530.db2.gz OBYSHGGJRSLRLD-WZONZLPQSA-N 0 0 424.541 4.412 20 30 HIEDRN C=CCc1cc(CNC(=O)NCCc2c[nH]c3c2cccc3C)cc(OC)c1OC ZINC000465817652 879442520 /nfs/dbraw/zinc/44/25/20/879442520.db2.gz UACXKKRDAYXIMU-UHFFFAOYSA-N 0 0 407.514 4.264 20 30 HIEDRN CC[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)c1ccccc1 ZINC000465968247 879636481 /nfs/dbraw/zinc/63/64/81/879636481.db2.gz VDFOTOHIDSFVKU-PKTZIBPZSA-N 0 0 404.558 4.162 20 30 HIEDRN COc1cccc(N2CCC[C@H](NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)C2)c1 ZINC000465990842 879664644 /nfs/dbraw/zinc/66/46/44/879664644.db2.gz YILYYCRUIUMUKA-OYDLWJJNSA-N 0 0 418.541 4.145 20 30 HIEDRN Cc1nc(CN2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)oc1C ZINC000503459036 912486697 /nfs/dbraw/zinc/48/66/97/912486697.db2.gz IOTIALIJPFSLRD-UHFFFAOYSA-N 0 0 414.509 4.041 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)cc1 ZINC000466043860 879733772 /nfs/dbraw/zinc/73/37/72/879733772.db2.gz BULSYHNGXBAJRJ-DHLKQENFSA-N 0 0 419.525 4.361 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 ZINC000466064028 879762102 /nfs/dbraw/zinc/76/21/02/879762102.db2.gz GSSKKTMHWOLDPS-HRAATJIYSA-N 0 0 411.937 4.226 20 30 HIEDRN Cc1ccc(CCN(Cc2ccco2)C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000466099819 879817631 /nfs/dbraw/zinc/81/76/31/879817631.db2.gz DHIKGWHDTMVISV-UHFFFAOYSA-N 0 0 403.482 4.293 20 30 HIEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cn1 ZINC000466104732 879821101 /nfs/dbraw/zinc/82/11/01/879821101.db2.gz QSVHXZFPDGAYSS-UHFFFAOYSA-N 0 0 418.453 4.263 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000466159772 879863389 /nfs/dbraw/zinc/86/33/89/879863389.db2.gz BXCSOWJORJMMSV-XZOQPEGZSA-N 0 0 417.488 4.035 20 30 HIEDRN C[C@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)Oc1ccccc1F ZINC000466167056 879869205 /nfs/dbraw/zinc/86/92/05/879869205.db2.gz NDACRGYNVMGTRR-SNVBAGLBSA-N 0 0 402.310 4.119 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)c1 ZINC000466181681 879879073 /nfs/dbraw/zinc/87/90/73/879879073.db2.gz ZAYSECILABZCFE-UHFFFAOYSA-N 0 0 422.916 4.488 20 30 HIEDRN CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cc(C#N)ccc1F ZINC000466191200 879884527 /nfs/dbraw/zinc/88/45/27/879884527.db2.gz FRJPFIHSOFJNIF-UHFFFAOYSA-N 0 0 408.246 4.331 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000466199850 879891252 /nfs/dbraw/zinc/89/12/52/879891252.db2.gz NXZSWJYYWLBULF-SFHVURJKSA-N 0 0 408.260 4.287 20 30 HIEDRN COc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c2ccccc2n1 ZINC000466207779 879897705 /nfs/dbraw/zinc/89/77/05/879897705.db2.gz NJNGQEYURLWBBB-UHFFFAOYSA-N 0 0 402.498 4.483 20 30 HIEDRN C=CCN(CC=C)C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000466227963 879929203 /nfs/dbraw/zinc/92/92/03/879929203.db2.gz UDDWKWHKERNACG-JOCHJYFZSA-N 0 0 412.555 4.180 20 30 HIEDRN 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C=CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000467394713 881178449 /nfs/dbraw/zinc/17/84/49/881178449.db2.gz QUVYIWCRVHUMGA-UHFFFAOYSA-N 0 0 408.893 4.413 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2cc(F)cc(N3CCOCC3)c2)c1 ZINC000467400974 881183498 /nfs/dbraw/zinc/18/34/98/881183498.db2.gz MXIBZXCBMNLOHF-IBGZPJMESA-N 0 0 424.520 4.026 20 30 HIEDRN COCCc1nc2cc(N[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)ccc2o1 ZINC000467428499 881220894 /nfs/dbraw/zinc/22/08/94/881220894.db2.gz HUQBRIFJUYOEKY-SFHVURJKSA-N 0 0 420.513 4.381 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000467428172 881220932 /nfs/dbraw/zinc/22/09/32/881220932.db2.gz GNMOKPOOATVXIC-FQEVSTJZSA-N 0 0 420.557 4.118 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000467462762 881271566 /nfs/dbraw/zinc/27/15/66/881271566.db2.gz DURIPPCRISMWII-RBBKRZOGSA-N 0 0 420.513 4.001 20 30 HIEDRN C=CCN(CC=C)C(=O)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000467494909 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HIEDRN COc1cc(Br)ccc1[C@H](C)NC(=O)CSc1ccc(C#N)cc1 ZINC000470818802 885306114 /nfs/dbraw/zinc/30/61/14/885306114.db2.gz AIWOEBRUARRURU-LBPRGKRZSA-N 0 0 405.317 4.299 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000504015020 912920876 /nfs/dbraw/zinc/92/08/76/912920876.db2.gz ZYNHFZGZHBSPGU-WMZHIEFXSA-N 0 0 403.526 4.153 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 ZINC000504013422 912921369 /nfs/dbraw/zinc/92/13/69/912921369.db2.gz PTHUAPNYULJNLN-QFIPXVFZSA-N 0 0 414.509 4.118 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 ZINC000504013420 912921500 /nfs/dbraw/zinc/92/15/00/912921500.db2.gz PTHUAPNYULJNLN-JOCHJYFZSA-N 0 0 414.509 4.118 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc4nccnc4cc3F)c2)c1 ZINC000470835243 885326356 /nfs/dbraw/zinc/32/63/56/885326356.db2.gz FJOJJTRKEUCYAW-UHFFFAOYSA-N 0 0 411.396 4.145 20 30 HIEDRN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000470837055 885328042 /nfs/dbraw/zinc/32/80/42/885328042.db2.gz RHTGKDAUNSSVIQ-AVRDEDQJSA-N 0 0 410.477 4.092 20 30 HIEDRN Cc1nnc(-c2cccc(C#N)c2)n1Cc1cc(Br)cc2cccnc21 ZINC000470836107 885328552 /nfs/dbraw/zinc/32/85/52/885328552.db2.gz MLPIFUOSJFLUTN-UHFFFAOYSA-N 0 0 404.271 4.484 20 30 HIEDRN C=CCN1C(=O)N=NC1SCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000470836426 885328776 /nfs/dbraw/zinc/32/87/76/885328776.db2.gz MUPDEOFYXPWSTN-UHFFFAOYSA-N 0 0 416.890 4.346 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000470845934 885342861 /nfs/dbraw/zinc/34/28/61/885342861.db2.gz VXYQXNKUUYQFFG-INIZCTEOSA-N 0 0 418.840 4.378 20 30 HIEDRN CCCCOc1ccc([C@H](C)NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1OC ZINC000470845892 885342885 /nfs/dbraw/zinc/34/28/85/885342885.db2.gz VOVHVXFPFFDDHP-UWJYYQICSA-N 0 0 405.498 4.305 20 30 HIEDRN CC(C)c1ncc(Cl)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n1 ZINC000470856284 885352019 /nfs/dbraw/zinc/35/20/19/885352019.db2.gz XGOWMBKHFYXANK-UHFFFAOYSA-N 0 0 411.893 4.089 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000504024114 912926439 /nfs/dbraw/zinc/92/64/39/912926439.db2.gz UPAVQGQKXZMONI-UHFFFAOYSA-N 0 0 413.315 4.312 20 30 HIEDRN N#CC1CCC(CNC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC000504026635 912928654 /nfs/dbraw/zinc/92/86/54/912928654.db2.gz OWGBDJDGGSLDJL-LBXVMSDZSA-N 0 0 409.452 4.036 20 30 HIEDRN CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000470889810 885385035 /nfs/dbraw/zinc/38/50/35/885385035.db2.gz GRWVHNIPYUGSPG-KRWDZBQOSA-N 0 0 410.315 4.097 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000470890096 885385294 /nfs/dbraw/zinc/38/52/94/885385294.db2.gz AESRHMIEFOSMGW-QGZVFWFLSA-N 0 0 400.463 4.193 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc2nccnc2cc1F ZINC000470895366 885393213 /nfs/dbraw/zinc/39/32/13/885393213.db2.gz VMTUUPMHUUUGBE-UHFFFAOYSA-N 0 0 418.241 4.499 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000470896778 885395332 /nfs/dbraw/zinc/39/53/32/885395332.db2.gz IXSCFZOBGFIHRZ-HXUWFJFHSA-N 0 0 421.460 4.106 20 30 HIEDRN CCc1cc(C#N)c(NC(=O)c2scc(C)c2I)s1 ZINC000470905078 885408999 /nfs/dbraw/zinc/40/89/99/885408999.db2.gz CBPOOOAORBXJEZ-UHFFFAOYSA-N 0 0 402.282 4.409 20 30 HIEDRN COc1cc2[nH]c(CCCNC(=O)c3cccc(SCC#N)c3)cc2c(OC)c1 ZINC000470915312 885422969 /nfs/dbraw/zinc/42/29/69/885422969.db2.gz YTDLMKZKFNWJCQ-UHFFFAOYSA-N 0 0 409.511 4.163 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC000470967605 885467175 /nfs/dbraw/zinc/46/71/75/885467175.db2.gz NOUDQKRNJNQGAD-IIMAJNMQSA-N 0 0 419.550 4.461 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000471005235 885504874 /nfs/dbraw/zinc/50/48/74/885504874.db2.gz KLVMZUBSRPXRJB-NRFANRHFSA-N 0 0 421.932 4.205 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000471004378 885505179 /nfs/dbraw/zinc/50/51/79/885505179.db2.gz CQAACMKGMZUICS-SFHVURJKSA-N 0 0 424.854 4.059 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000471007823 885510182 /nfs/dbraw/zinc/51/01/82/885510182.db2.gz OHLJNYPHWMRXKT-UHFFFAOYSA-N 0 0 421.806 4.017 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000471015168 885517218 /nfs/dbraw/zinc/51/72/18/885517218.db2.gz STFHSVPIXOEAIQ-CQSZACIVSA-N 0 0 412.902 4.364 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CNC2(c3nccs3)CCCC2)c1C#N ZINC000471019800 885524235 /nfs/dbraw/zinc/52/42/35/885524235.db2.gz RFRYDSIVLUECQG-UHFFFAOYSA-N 0 0 419.554 4.420 20 30 HIEDRN Cc1ccc(NC(=O)[C@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)c1 ZINC000471021495 885526896 /nfs/dbraw/zinc/52/68/96/885526896.db2.gz JVKMGBFZYVMFGR-AVRDEDQJSA-N 0 0 410.949 4.166 20 30 HIEDRN CC[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F ZINC000471054677 885569642 /nfs/dbraw/zinc/56/96/42/885569642.db2.gz AIQFOQGAMUCSJO-ZWKOTPCHSA-N 0 0 415.415 4.233 20 30 HIEDRN CC[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)Oc1ccccc1C(F)(F)F ZINC000471054674 885569954 /nfs/dbraw/zinc/56/99/54/885569954.db2.gz AIQFOQGAMUCSJO-MSOLQXFVSA-N 0 0 415.415 4.233 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)cc1 ZINC000471055557 885571668 /nfs/dbraw/zinc/57/16/68/885571668.db2.gz FASQYGGGCFEAEY-OAQYLSRUSA-N 0 0 418.460 4.331 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCC(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000471137938 885679592 /nfs/dbraw/zinc/67/95/92/885679592.db2.gz XMMPIFVWJLIHHF-SANMLTNESA-N 0 0 407.517 4.458 20 30 HIEDRN O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471144507 885689009 /nfs/dbraw/zinc/68/90/09/885689009.db2.gz SAHJDDYWJHVHEU-BXKDBHETSA-N 0 0 406.729 4.083 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000504059106 912963845 /nfs/dbraw/zinc/96/38/45/912963845.db2.gz CWPFRZFSHANUBC-ZDUSSCGKSA-N 0 0 409.477 4.474 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000471168559 885725861 /nfs/dbraw/zinc/72/58/61/885725861.db2.gz IHYZLHMDZMVZLQ-UHFFFAOYSA-N 0 0 407.514 4.298 20 30 HIEDRN CC(C)c1oc([C@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)nc1-c1ccccc1 ZINC000471176457 885738749 /nfs/dbraw/zinc/73/87/49/885738749.db2.gz KRGDVRGHDVPXNN-NTKDMRAZSA-N 0 0 406.530 4.410 20 30 HIEDRN Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc1Cc1ccccc1F ZINC000504072268 912976340 /nfs/dbraw/zinc/97/63/40/912976340.db2.gz OPYSAASIDFQVMH-NRFANRHFSA-N 0 0 417.506 4.382 20 30 HIEDRN Cc1cccc(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 ZINC000471259828 885838341 /nfs/dbraw/zinc/83/83/41/885838341.db2.gz XRKRCSQEMVQHOV-UHFFFAOYSA-N 0 0 400.482 4.399 20 30 HIEDRN COC1CCC(C)(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000471267008 885845615 /nfs/dbraw/zinc/84/56/15/885845615.db2.gz PTWXRXXTKYFHEF-UHFFFAOYSA-N 0 0 408.546 4.406 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NCc3ncccc3O)cc2Cl)c1 ZINC000471273578 885852137 /nfs/dbraw/zinc/85/21/37/885852137.db2.gz QELFYEXLBAXWCV-UHFFFAOYSA-N 0 0 408.845 4.213 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000471288022 885870878 /nfs/dbraw/zinc/87/08/78/885870878.db2.gz MMPOQBQIKJEBEV-QGZVFWFLSA-N 0 0 419.554 4.319 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3nc(-c4cccs4)cs3)C2)n1 ZINC000471288427 885872667 /nfs/dbraw/zinc/87/26/67/885872667.db2.gz OHRMHNMKHLMJSC-HNNXBMFYSA-N 0 0 409.540 4.302 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000471291681 885877341 /nfs/dbraw/zinc/87/73/41/885877341.db2.gz GZPXUWXMIPQLIU-NFBKMPQASA-N 0 0 415.449 4.139 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(OCC(F)(F)F)cc3)C2)n1 ZINC000471299206 885886526 /nfs/dbraw/zinc/88/65/26/885886526.db2.gz ZUJHINAAVCEYNI-INIZCTEOSA-N 0 0 418.419 4.058 20 30 HIEDRN COc1ccc(N(CC(C)C)C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000471300878 885889776 /nfs/dbraw/zinc/88/97/76/885889776.db2.gz MIWONRYSQUBWGN-HXUWFJFHSA-N 0 0 406.530 4.176 20 30 HIEDRN COc1cccc(N(CC(C)C)C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 ZINC000471301788 885890144 /nfs/dbraw/zinc/89/01/44/885890144.db2.gz ZSDIQJZYHPTVEB-FQEVSTJZSA-N 0 0 406.530 4.176 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(N4CCCC4)cc3C)C2)n1 ZINC000471302858 885891219 /nfs/dbraw/zinc/89/12/19/885891219.db2.gz DNLQKTSPDDVFCV-FQEVSTJZSA-N 0 0 403.530 4.025 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H](C)c3cc4ccccc4o3)C2)n1 ZINC000471301844 885891361 /nfs/dbraw/zinc/89/13/61/885891361.db2.gz SNRXOLBZEVOCLJ-YLJYHZDGSA-N 0 0 402.498 4.444 20 30 HIEDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000471310133 885899434 /nfs/dbraw/zinc/89/94/34/885899434.db2.gz CYABOBLLJXDZAU-UHFFFAOYSA-N 0 0 424.570 4.360 20 30 HIEDRN COCCC[C@H](Cc1ccccc1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000471313930 885905329 /nfs/dbraw/zinc/90/53/29/885905329.db2.gz ZCWNPUXFEKDJKA-HXUWFJFHSA-N 0 0 411.571 4.125 20 30 HIEDRN CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471320955 885912988 /nfs/dbraw/zinc/91/29/88/885912988.db2.gz FTPMXXDSHDCWAG-AWEZNQCLSA-N 0 0 413.455 4.375 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCCC[C@H]3c3ccncc3)C2)n1 ZINC000471349039 885960800 /nfs/dbraw/zinc/96/08/00/885960800.db2.gz TXJMKWXBQRJZKN-VXKWHMMOSA-N 0 0 403.530 4.017 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3ccccc3OC3CCCC3)C2)n1 ZINC000471349605 885962406 /nfs/dbraw/zinc/96/24/06/885962406.db2.gz GTHUCJMABLZQRU-NRFANRHFSA-N 0 0 418.541 4.116 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471354614 885972131 /nfs/dbraw/zinc/97/21/31/885972131.db2.gz JRZMUUIZHFSENV-AZUAARDMSA-N 0 0 406.530 4.209 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000471362763 885991890 /nfs/dbraw/zinc/99/18/90/885991890.db2.gz HFHOIUNCKHRICP-MAUKXSAKSA-N 0 0 416.447 4.374 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)nn1CCC#N ZINC000504087393 912996208 /nfs/dbraw/zinc/99/62/08/912996208.db2.gz NTZHJJHWPWKHLL-UHFFFAOYSA-N 0 0 412.453 4.383 20 30 HIEDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000471371589 886010135 /nfs/dbraw/zinc/01/01/35/886010135.db2.gz YBIDAXRKUKSPLV-WIYYLYMNSA-N 0 0 405.502 4.392 20 30 HIEDRN CC[C@@H](NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)(C)c1ccccc1 ZINC000471403724 886053951 /nfs/dbraw/zinc/05/39/51/886053951.db2.gz DIUBRSCGOQFXEQ-IFMALSPDSA-N 0 0 404.558 4.351 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](Cc3ccc(F)cc3)C(C)C)C2)n1 ZINC000471435848 886095657 /nfs/dbraw/zinc/09/56/57/886095657.db2.gz JYTRRVLBGAUFDQ-IFMALSPDSA-N 0 0 408.521 4.001 20 30 HIEDRN COc1cccc([C@@H](NC(=O)Cc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 ZINC000471448598 886121824 /nfs/dbraw/zinc/12/18/24/886121824.db2.gz HQONWMIVMGIKEM-XMMPIXPASA-N 0 0 404.441 4.163 20 30 HIEDRN Cc1ccccc1Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000471460905 886142448 /nfs/dbraw/zinc/14/24/48/886142448.db2.gz XPIXWAXEUWHHQR-JOCHJYFZSA-N 0 0 411.505 4.442 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@@H](c4cccs4)C3)s2)cc1 ZINC000471567533 886277575 /nfs/dbraw/zinc/27/75/75/886277575.db2.gz 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WXXSJTIFLXBPKF-GFCCVEGCSA-N 0 0 400.451 4.052 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)NCCc2ccccc2)nnc1-c1ccccc1F ZINC000512936408 921425711 /nfs/dbraw/zinc/42/57/11/921425711.db2.gz WMZJQVBFQAJKSV-MRXNPFEDSA-N 0 0 410.518 4.110 20 30 HIEDRN CC(C)CN(C(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc(C#N)cc1 ZINC000499299085 908669111 /nfs/dbraw/zinc/66/91/11/908669111.db2.gz GDXXBQBTMIMHHX-UHFFFAOYSA-N 0 0 408.483 4.092 20 30 HIEDRN COc1cc(C#N)ccc1CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 ZINC000499308474 908683501 /nfs/dbraw/zinc/68/35/01/908683501.db2.gz QFXUOGAWFNKLSJ-UHFFFAOYSA-N 0 0 423.542 4.328 20 30 HIEDRN Cc1cc([C@@H](C)NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000499309178 908684890 /nfs/dbraw/zinc/68/48/90/908684890.db2.gz LOGHPTNEMMYJGF-CQSZACIVSA-N 0 0 407.430 4.073 20 30 HIEDRN CC(C)CN(C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(C#N)cc1 ZINC000499309150 908685226 /nfs/dbraw/zinc/68/52/26/908685226.db2.gz KYGOCMXKVCACNH-UHFFFAOYSA-N 0 0 413.403 4.461 20 30 HIEDRN COc1cc(C#N)ccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000499317776 908691583 /nfs/dbraw/zinc/69/15/83/908691583.db2.gz DXQCJYDEHOPCBQ-UHFFFAOYSA-N 0 0 403.467 4.154 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1nc(Cc2ccccc2)cs1)c1ccccc1 ZINC000499410733 908776025 /nfs/dbraw/zinc/77/60/25/908776025.db2.gz CWTLDNJHWAENDE-FQEVSTJZSA-N 0 0 405.523 4.496 20 30 HIEDRN CC(=O)c1cccc(OCCCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499410003 908776310 /nfs/dbraw/zinc/77/63/10/908776310.db2.gz XHSMAJLBCDWDIC-LJQANCHMSA-N 0 0 415.287 4.192 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000499411230 908776928 /nfs/dbraw/zinc/77/69/28/908776928.db2.gz HJNDSHHTDBUYFV-OAHLLOKOSA-N 0 0 409.795 4.459 20 30 HIEDRN CCC[C@@H](CC1CCCC1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000499422793 908788479 /nfs/dbraw/zinc/78/84/79/908788479.db2.gz QDGWVOKMHXUBAQ-IBGZPJMESA-N 0 0 407.562 4.372 20 30 HIEDRN COc1ccc(CNC(=O)[C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)cc1OC ZINC000499484468 908813852 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4.019 20 30 HIEDRN COc1ccc(-n2ccnc2SCC(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 ZINC000499947394 909051192 /nfs/dbraw/zinc/05/11/92/909051192.db2.gz TUSKNCQNGIONQT-SFHVURJKSA-N 0 0 412.902 4.007 20 30 HIEDRN C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2[N+](=O)[O-])C1 ZINC000499951679 909054412 /nfs/dbraw/zinc/05/44/12/909054412.db2.gz NYTPPJIKIMKMQB-KSSFIOAISA-N 0 0 412.877 4.479 20 30 HIEDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513005594 921470225 /nfs/dbraw/zinc/47/02/25/921470225.db2.gz XMFYZPCACIATJH-UHFFFAOYSA-N 0 0 415.449 4.360 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000513020645 921482287 /nfs/dbraw/zinc/48/22/87/921482287.db2.gz SAKPQJMHLIEPRV-KSSFIOAISA-N 0 0 424.444 4.023 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000513020643 921482618 /nfs/dbraw/zinc/48/26/18/921482618.db2.gz SAKPQJMHLIEPRV-KBXCAEBGSA-N 0 0 424.444 4.023 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 ZINC000500018273 909474185 /nfs/dbraw/zinc/47/41/85/909474185.db2.gz LAXODXJDIQCFGE-QHCPKHFHSA-N 0 0 415.493 4.016 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1C#N ZINC000500044759 909505964 /nfs/dbraw/zinc/50/59/64/909505964.db2.gz HGHUNDIGNCKRLQ-INIZCTEOSA-N 0 0 421.570 4.105 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)c2csc(CCc3ccccc3)n2)CC1 ZINC000500048419 909512366 /nfs/dbraw/zinc/51/23/66/909512366.db2.gz YWCULCLSTSDUAR-UHFFFAOYSA-N 0 0 416.550 4.152 20 30 HIEDRN CCCCOc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000500053263 909516812 /nfs/dbraw/zinc/51/68/12/909516812.db2.gz WGONCRUBIPJBKN-UHFFFAOYSA-N 0 0 414.509 4.248 20 30 HIEDRN Cc1ccc(S[C@H](C)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000500064347 909529992 /nfs/dbraw/zinc/52/99/92/909529992.db2.gz PKHHEEVGZXAMGY-GOSISDBHSA-N 0 0 416.550 4.244 20 30 HIEDRN CCCOc1ccc(CN(Cc2ccccc2)C(=O)Cc2noc(C)c2C#N)cc1 ZINC000500063765 909530427 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CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(OC)c(OC3CCCC3)c2)n1 ZINC000544155731 940339592 /nfs/dbraw/zinc/33/95/92/940339592.db2.gz WRPDSDCRGCVSPL-HNNXBMFYSA-N 0 0 414.483 4.140 20 30 HIEDRN Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[N@H+](C)Cc4ccccc4)c3)nc1-2 ZINC000544204841 940352995 /nfs/dbraw/zinc/35/29/95/940352995.db2.gz ULLNQLHSHXSLFQ-NRFANRHFSA-N 0 0 409.493 4.388 20 30 HIEDRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000544212705 940355808 /nfs/dbraw/zinc/35/58/08/940355808.db2.gz VJYPYFDPLOACCW-ZIAGYGMSSA-N 0 0 400.862 4.321 20 30 HIEDRN COCC[C@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000544239845 940364582 /nfs/dbraw/zinc/36/45/82/940364582.db2.gz LZHUURBHIPKWOO-OAQYLSRUSA-N 0 0 404.466 4.108 20 30 HIEDRN COc1ccccc1[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccn1 ZINC000544289444 940380722 /nfs/dbraw/zinc/38/07/22/940380722.db2.gz ZSLIULFNTKPKKH-DEOSSOPVSA-N 0 0 412.493 4.425 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000544298570 940383024 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C=CCn1c(SCc2cc(C(=O)OC)oc2C)nc2sc(C)c(C)c2c1=O ZINC000554547459 942166851 /nfs/dbraw/zinc/16/68/51/942166851.db2.gz PXSZEBBDTCCROR-UHFFFAOYSA-N 0 0 404.513 4.241 20 30 HIEDRN CC(C)n1c2ccc(C(=O)NCCc3cccc(C#N)c3)cc2nc1C(F)(F)F ZINC000554584689 942172070 /nfs/dbraw/zinc/17/20/70/942172070.db2.gz MPBVVLADNBADNH-UHFFFAOYSA-N 0 0 400.404 4.480 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000554629709 942179686 /nfs/dbraw/zinc/17/96/86/942179686.db2.gz SOMYLYIIUFDHPM-IBGZPJMESA-N 0 0 412.493 4.244 20 30 HIEDRN C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554630834 942179822 /nfs/dbraw/zinc/17/98/22/942179822.db2.gz BWOGYSWLGAOURP-MRXNPFEDSA-N 0 0 417.435 4.227 20 30 HIEDRN N#CCC1CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000554632804 942180741 /nfs/dbraw/zinc/18/07/41/942180741.db2.gz OPEMVHHLRRLTEQ-FQEVSTJZSA-N 0 0 420.900 4.086 20 30 HIEDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000554670400 942194730 /nfs/dbraw/zinc/19/47/30/942194730.db2.gz VVQBJEZBCOIZQS-QGZVFWFLSA-N 0 0 418.350 4.213 20 30 HIEDRN CSC[C@](C)(C#N)NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000554776284 942232326 /nfs/dbraw/zinc/23/23/26/942232326.db2.gz NMJYBBRALJOEBF-IBGZPJMESA-N 0 0 400.891 4.161 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)cc1 ZINC000554790916 942239213 /nfs/dbraw/zinc/23/92/13/942239213.db2.gz ZRDFUXGVSQBCDB-HSZRJFAPSA-N 0 0 418.518 4.218 20 30 HIEDRN COc1ccc(Cc2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)c(F)c1 ZINC000554823627 942263994 /nfs/dbraw/zinc/26/39/94/942263994.db2.gz HZXYGQYAODPENP-UHFFFAOYSA-N 0 0 410.424 4.203 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3n[nH]nc3-c3ccccc3)cc2F)c1 ZINC000554858517 942294233 /nfs/dbraw/zinc/29/42/33/942294233.db2.gz SUHITOQGPYZKFJ-UHFFFAOYSA-N 0 0 413.412 4.314 20 30 HIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000554877338 942304773 /nfs/dbraw/zinc/30/47/73/942304773.db2.gz WLHKTNNONGZBKM-UHFFFAOYSA-N 0 0 411.933 4.405 20 30 HIEDRN CCc1c(NC(=O)NCC(F)(F)C(F)F)cnn1-c1cccc(C(F)(F)F)c1 ZINC000554895136 942310716 /nfs/dbraw/zinc/31/07/16/942310716.db2.gz GYEIFVXYCZLJGJ-UHFFFAOYSA-N 0 0 412.309 4.475 20 30 HIEDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000554908293 942315513 /nfs/dbraw/zinc/31/55/13/942315513.db2.gz LUHDLDRWNRUBAR-VKGMXUHCSA-N 0 0 411.509 4.157 20 30 HIEDRN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000554925711 942322278 /nfs/dbraw/zinc/32/22/78/942322278.db2.gz DDZNONLNVLUWFD-OAQYLSRUSA-N 0 0 417.469 4.218 20 30 HIEDRN C=CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000554931587 942323740 /nfs/dbraw/zinc/32/37/40/942323740.db2.gz GHRLEEZJWMDJJU-ZDUSSCGKSA-N 0 0 422.439 4.256 20 30 HIEDRN Cn1cc([C@@H]2C[C@@H](NC(=O)c3ccccc3Sc3ccccc3C#N)CCO2)cn1 ZINC000554956469 942332562 /nfs/dbraw/zinc/33/25/62/942332562.db2.gz HTJMRVJVAFHUJR-ICSRJNTNSA-N 0 0 418.522 4.093 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)CCCc3csc4ccccc34)CC2)c1C#N 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20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000555220988 942435101 /nfs/dbraw/zinc/43/51/01/942435101.db2.gz JSKVHGSUIQELPL-LIRRHRJNSA-N 0 0 402.926 4.187 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(C)C)C1 ZINC000555221690 942435339 /nfs/dbraw/zinc/43/53/39/942435339.db2.gz UWOLLDPWZOSPQB-GOSISDBHSA-N 0 0 420.561 4.123 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC2(CC1)OCCc1ccsc12 ZINC000555221025 942435450 /nfs/dbraw/zinc/43/54/50/942435450.db2.gz KZONBKZGNFQTNF-UHFFFAOYSA-N 0 0 407.543 4.046 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2NCc2ncn(-c3ccccc3)n2)c1Br ZINC000555236932 942440621 /nfs/dbraw/zinc/44/06/21/942440621.db2.gz KJEJZBUOTYMGCI-UHFFFAOYSA-N 0 0 419.286 4.370 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ncccc2Cl)CC1 ZINC000555241289 942442354 /nfs/dbraw/zinc/44/23/54/942442354.db2.gz LTNONWDGSWNAJG-UHFFFAOYSA-N 0 0 408.937 4.272 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000555240150 942442457 /nfs/dbraw/zinc/44/24/57/942442457.db2.gz IEFQYMZYPDJJIK-DEOSSOPVSA-N 0 0 423.561 4.120 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C2CC2)C1 ZINC000555242608 942443131 /nfs/dbraw/zinc/44/31/31/942443131.db2.gz RZWKZSDKYFMGFQ-KRWDZBQOSA-N 0 0 421.314 4.038 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(C)C)C1 ZINC000555243480 942444074 /nfs/dbraw/zinc/44/40/74/942444074.db2.gz VIUWWTDHESXBCH-QGZVFWFLSA-N 0 0 401.580 4.108 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000555247166 942445009 /nfs/dbraw/zinc/44/50/09/942445009.db2.gz GJLVDERUIDKAKP-QZTJIDSGSA-N 0 0 416.953 4.307 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000555248285 942445089 /nfs/dbraw/zinc/44/50/89/942445089.db2.gz UDBVYWZZKWIAOY-IEBWSBKVSA-N 0 0 414.525 4.386 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC000555248959 942445787 /nfs/dbraw/zinc/44/57/87/942445787.db2.gz YHFCMDSTOJMKHP-QFIPXVFZSA-N 0 0 404.514 4.320 20 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HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N(C)CCCC)CC1 ZINC000555255435 942448886 /nfs/dbraw/zinc/44/88/86/942448886.db2.gz KPIUOKIZXGBPFB-UHFFFAOYSA-N 0 0 423.605 4.228 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC000555254445 942449044 /nfs/dbraw/zinc/44/90/44/942449044.db2.gz MDSRCKODBRXPNH-GOSISDBHSA-N 0 0 424.549 4.071 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC000555258855 942450950 /nfs/dbraw/zinc/45/09/50/942450950.db2.gz TUHQOIQDWYDIOT-GPJFCIFZSA-N 0 0 420.598 4.142 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](c2cccs2)C1 ZINC000555260734 942451486 /nfs/dbraw/zinc/45/14/86/942451486.db2.gz KCHAGWSERSNGQT-IBGZPJMESA-N 0 0 410.543 4.093 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC000555263809 942452494 /nfs/dbraw/zinc/45/24/94/942452494.db2.gz JXVZCCOKWZYJEO-HXUWFJFHSA-N 0 0 403.530 4.465 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000555262817 942452683 /nfs/dbraw/zinc/45/26/83/942452683.db2.gz WIYMUNGUVBYARV-HOTGVXAUSA-N 0 0 416.957 4.271 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC000555264404 942453040 /nfs/dbraw/zinc/45/30/40/942453040.db2.gz RKMSAUIYUHBWDQ-KRWDZBQOSA-N 0 0 412.431 4.132 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000555265007 942454353 /nfs/dbraw/zinc/45/43/53/942454353.db2.gz FXLUYJLTIRUFRO-IRLDBZIGSA-N 0 0 423.605 4.275 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC000555265582 942454363 /nfs/dbraw/zinc/45/43/63/942454363.db2.gz LSLUXSDUEMBQCU-GOSISDBHSA-N 0 0 419.485 4.335 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC000555267234 942455256 /nfs/dbraw/zinc/45/52/56/942455256.db2.gz RYLCZDILEUHFJJ-AQTBWJFISA-N 0 0 421.570 4.385 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC000555267235 942455386 /nfs/dbraw/zinc/45/53/86/942455386.db2.gz RYLCZDILEUHFJJ-QGOAFFKASA-N 0 0 421.570 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HIEDRN N#Cc1cccc(S(=O)(=O)CCN[C@@H](c2c(Cl)cccc2Cl)C2CC2)c1 ZINC000562050119 944911630 /nfs/dbraw/zinc/91/16/30/944911630.db2.gz VMOFXTUJAAUUCC-LJQANCHMSA-N 0 0 409.338 4.380 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCCN(c3ccccc3F)CC2)c1 ZINC000562148720 944979874 /nfs/dbraw/zinc/97/98/74/944979874.db2.gz OZYUFSDAKYAEHS-UHFFFAOYSA-N 0 0 404.392 4.043 20 30 HIEDRN C=CCN1C(=O)N(c2ccc(Oc3ccnc(C#N)c3)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000562226981 945032542 /nfs/dbraw/zinc/03/25/42/945032542.db2.gz MTGQRQGTFNMDMX-QHCPKHFHSA-N 0 0 424.460 4.311 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(F)(F)F)CC1 ZINC000562264201 945048731 /nfs/dbraw/zinc/04/87/31/945048731.db2.gz FQMQQPQAQACHLN-UHFFFAOYSA-N 0 0 408.424 4.419 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)C1CCOCC1 ZINC000562262174 945049577 /nfs/dbraw/zinc/04/95/77/945049577.db2.gz RFSKBKWNTSGESV-UHFFFAOYSA-N 0 0 409.303 4.038 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000562265711 945050282 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C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[S@](=O)C(CC)(CC)C1 ZINC000564232306 945447222 /nfs/dbraw/zinc/44/72/22/945447222.db2.gz WCNHCUBQMXTIQP-LJAQVGFWSA-N 0 0 411.575 4.130 20 30 HIEDRN CS[C@H]1c2cc(-c3noc(C4(c5cc(F)cc(C#N)c5)CC4)n3)ccc2NC1=O ZINC000564253066 945469854 /nfs/dbraw/zinc/46/98/54/945469854.db2.gz MERYZBVFBRVKLU-KRWDZBQOSA-N 0 0 406.442 4.183 20 30 HIEDRN C=C[C@@](C)(CCOC)c1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000564254084 945471174 /nfs/dbraw/zinc/47/11/74/945471174.db2.gz PMAKSWLPYQBKKX-IBGZPJMESA-N 0 0 421.335 4.409 20 30 HIEDRN N#Cc1ccc(OCc2nc(Cc3c[nH]c4cc(Br)ccc34)no2)cc1 ZINC000564261289 945478651 /nfs/dbraw/zinc/47/86/51/945478651.db2.gz MPTPTYFBQYVFTC-UHFFFAOYSA-N 0 0 409.243 4.355 20 30 HIEDRN COc1ccc2c(c1)CCC[C@@H]2N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000564331682 945518605 /nfs/dbraw/zinc/51/86/05/945518605.db2.gz WGHMKIBBGCTPOP-SFHVURJKSA-N 0 0 424.444 4.284 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C ZINC000564355983 945525245 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947258343 /nfs/dbraw/zinc/25/83/43/947258343.db2.gz RWCSWJQGFUNBFP-QFIPXVFZSA-N 0 0 411.575 4.462 20 30 HIEDRN CN(C)c1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)c(F)c1 ZINC000570483243 947262631 /nfs/dbraw/zinc/26/26/31/947262631.db2.gz PYHKPJQTSFOXMD-UHFFFAOYSA-N 0 0 409.440 4.336 20 30 HIEDRN C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000570609294 947313252 /nfs/dbraw/zinc/31/32/52/947313252.db2.gz VPFKQAFTEVKZCE-ULQDDVLXSA-N 0 0 402.564 4.333 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 ZINC000570818344 947360531 /nfs/dbraw/zinc/36/05/31/947360531.db2.gz VUZUOGUGZGKTMY-UHFFFAOYSA-N 0 0 411.918 4.112 20 30 HIEDRN C=CCn1c(C)nnc1S[C@@H](C(=O)OCC)c1ccc(Br)cc1F ZINC000570887424 947385637 /nfs/dbraw/zinc/38/56/37/947385637.db2.gz AHXAMYLEQCEDCN-CQSZACIVSA-N 0 0 414.300 4.071 20 30 HIEDRN COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000570977970 947408094 /nfs/dbraw/zinc/40/80/94/947408094.db2.gz KATHMDUGHAOFJO-UHFFFAOYSA-N 0 0 406.442 4.328 20 30 HIEDRN N#Cc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)cc1 ZINC000570998093 947418837 /nfs/dbraw/zinc/41/88/37/947418837.db2.gz OJFOIPAWZKHOBG-UHFFFAOYSA-N 0 0 409.489 4.261 20 30 HIEDRN N#Cc1cc(Br)ccc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000571070923 947469040 /nfs/dbraw/zinc/46/90/40/947469040.db2.gz JDUIVSYAIFJXNR-UHFFFAOYSA-N 0 0 413.241 4.373 20 30 HIEDRN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1N(C)Cc1ccon1 ZINC000571127032 947521261 /nfs/dbraw/zinc/52/12/61/947521261.db2.gz KOWJZLXIVKDXPP-UHFFFAOYSA-N 0 0 422.316 4.407 20 30 HIEDRN CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000571182797 947533427 /nfs/dbraw/zinc/53/34/27/947533427.db2.gz BOJISTXILHVZAP-JOCHJYFZSA-N 0 0 407.543 4.465 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000571229303 947555768 /nfs/dbraw/zinc/55/57/68/947555768.db2.gz QEEIRWCIXHUTJW-HSZRJFAPSA-N 0 0 415.493 4.042 20 30 HIEDRN C=CCn1c(COCC)nnc1N1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000571364549 947624047 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20 30 HIEDRN C=CCn1c(C2CCC2)nnc1N(CCOC)Cc1sccc1Br ZINC000571690257 947749072 /nfs/dbraw/zinc/74/90/72/947749072.db2.gz VSLNCNJPCYGQDZ-UHFFFAOYSA-N 0 0 411.369 4.209 20 30 HIEDRN Cn1nccc1[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000571743560 947773327 /nfs/dbraw/zinc/77/33/27/947773327.db2.gz WQQVUGDSQNGEAZ-SFHVURJKSA-N 0 0 401.470 4.496 20 30 HIEDRN COc1cccc(CO[C@H](C)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000571815245 947793470 /nfs/dbraw/zinc/79/34/70/947793470.db2.gz ADTHQEIYLRXGMY-MRXNPFEDSA-N 0 0 403.438 4.298 20 30 HIEDRN C=CCOc1ccc(CNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000571829492 947797994 /nfs/dbraw/zinc/79/79/94/947797994.db2.gz OCYWXUZHWVDDET-UHFFFAOYSA-N 0 0 414.933 4.452 20 30 HIEDRN C=CCCCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCO1 ZINC000571943536 947818171 /nfs/dbraw/zinc/81/81/71/947818171.db2.gz YTGVVWLHLDOQKU-GHTZIAJQSA-N 0 0 412.534 4.152 20 30 HIEDRN C=CCn1c(COCC)nnc1N(Cc1cccc(Br)c1)CC1CC1 ZINC000571961125 947822809 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C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nn1C ZINC000436409063 861759139 /nfs/dbraw/zinc/75/91/39/861759139.db2.gz IHYFYTXOAGNOLS-KSSFIOAISA-N 0 0 408.424 4.209 20 30 HIEDRN CCOc1cc(CN(C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026455628 847153486 /nfs/dbraw/zinc/15/34/86/847153486.db2.gz FUFBBQAFXHNXGL-CYBMUJFWSA-N 0 0 421.444 4.227 20 30 HIEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000026732689 847190890 /nfs/dbraw/zinc/19/08/90/847190890.db2.gz ZMRGDUXJPWOIAG-SFHVURJKSA-N 0 0 419.481 4.233 20 30 HIEDRN C[C@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000027019572 847235797 /nfs/dbraw/zinc/23/57/97/847235797.db2.gz LRNMJMWLGSREHN-ZDUSSCGKSA-N 0 0 408.527 4.212 20 30 HIEDRN N#Cc1ccc(CCC(=O)OCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000027014764 847235939 /nfs/dbraw/zinc/23/59/39/847235939.db2.gz OELMPBGQJHMVPY-HSZRJFAPSA-N 0 0 422.481 4.140 20 30 HIEDRN CN(Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000027051681 847240600 /nfs/dbraw/zinc/24/06/00/847240600.db2.gz QLZJVZFAWBJFRK-QHCPKHFHSA-N 0 0 411.461 4.114 20 30 HIEDRN C=CCNC(=O)[C@@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 ZINC000027069191 847242350 /nfs/dbraw/zinc/24/23/50/847242350.db2.gz IPPOXNVYGALZTR-MRXNPFEDSA-N 0 0 422.506 4.379 20 30 HIEDRN N#Cc1ccc(CCC(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000027151417 847256626 /nfs/dbraw/zinc/25/66/26/847256626.db2.gz COSBJLJFLWZWJZ-UHFFFAOYSA-N 0 0 415.405 4.257 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1SCc1cc(C)c(C(=O)OC)o1 ZINC000027225920 847269427 /nfs/dbraw/zinc/26/94/27/847269427.db2.gz FPTGCBNTJAYRCS-UHFFFAOYSA-N 0 0 417.462 4.163 20 30 HIEDRN C=C(C)[C@H](NC(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 ZINC000436422152 861779066 /nfs/dbraw/zinc/77/90/66/861779066.db2.gz ULCOBEMVKCAAGG-SKDZVZGDSA-N 0 0 406.395 4.365 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC ZINC000027628433 847329478 /nfs/dbraw/zinc/32/94/78/847329478.db2.gz STMSESNNEBBGGG-UHFFFAOYSA-N 0 0 400.906 4.184 20 30 HIEDRN COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000027740977 847345550 /nfs/dbraw/zinc/34/55/50/847345550.db2.gz LIUBSWNWICCXEV-LBPRGKRZSA-N 0 0 403.935 4.229 20 30 HIEDRN C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CCC3 ZINC000027777486 847351506 /nfs/dbraw/zinc/35/15/06/847351506.db2.gz AKESDRLDXGUTIW-LLVKDONJSA-N 0 0 402.545 4.492 20 30 HIEDRN N#CCSc1ccccc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000027986103 847371499 /nfs/dbraw/zinc/37/14/99/847371499.db2.gz FNEHPSFHFKXHKL-UHFFFAOYSA-N 0 0 406.467 4.469 20 30 HIEDRN C=CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc(OC)c1OC ZINC000028398737 847415824 /nfs/dbraw/zinc/41/58/24/847415824.db2.gz YJXZJVAUIOWBIB-AWEZNQCLSA-N 0 0 415.511 4.338 20 30 HIEDRN C=CCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2F)cc(OC)c1OC ZINC000028398663 847415963 /nfs/dbraw/zinc/41/59/63/847415963.db2.gz IENBDNUTHBMALH-CQSZACIVSA-N 0 0 401.434 4.064 20 30 HIEDRN C=CCSc1ccccc1NC(=O)COC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2 ZINC000028458438 847423696 /nfs/dbraw/zinc/42/36/96/847423696.db2.gz VKZWNTGLDDUBQN-CQSZACIVSA-N 0 0 413.495 4.092 20 30 HIEDRN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C=Cc1ccccc1C#N ZINC000028512211 847431848 /nfs/dbraw/zinc/43/18/48/847431848.db2.gz CHXGFEIAGFMWFE-AYJWMTRPSA-N 0 0 402.406 4.091 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000436429443 861792104 /nfs/dbraw/zinc/79/21/04/861792104.db2.gz MTVOAEFMKIZQOC-CRAIPNDOSA-N 0 0 402.853 4.045 20 30 HIEDRN CC1(C)CC(=O)C(CN=Nc2ncnc3scc(-c4ccc(F)cc4)c32)C(=O)C1 ZINC000029009642 847492177 /nfs/dbraw/zinc/49/21/77/847492177.db2.gz SGMPDJXVKIHUMM-UHFFFAOYSA-N 0 0 410.474 4.256 20 30 HIEDRN C=CCN(CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)s1 ZINC000029054848 847498793 /nfs/dbraw/zinc/49/87/93/847498793.db2.gz SGVKHUYCMQKXHW-UHFFFAOYSA-N 0 0 400.878 4.307 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000029205287 847524223 /nfs/dbraw/zinc/52/42/23/847524223.db2.gz IIMWOLDCVQZFLU-UHFFFAOYSA-N 0 0 409.877 4.394 20 30 HIEDRN N#Cc1nc(C2CC2)oc1N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000029226861 847527645 /nfs/dbraw/zinc/52/76/45/847527645.db2.gz BHQPZMDISFRKCO-UHFFFAOYSA-N 0 0 409.877 4.054 20 30 HIEDRN N#Cc1c(NC(=O)CCN2CCO[C@H](c3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000029538655 847575914 /nfs/dbraw/zinc/57/59/14/847575914.db2.gz YXCSFTOYYHENPR-IBGZPJMESA-N 0 0 413.518 4.040 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)nnc1-c1ccco1 ZINC000029550637 847579321 /nfs/dbraw/zinc/57/93/21/847579321.db2.gz RKSDTOCPINSNCS-SFHVURJKSA-N 0 0 412.515 4.488 20 30 HIEDRN C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000029811421 847623924 /nfs/dbraw/zinc/62/39/24/847623924.db2.gz QSVGBSOIUBRZDL-ZDUSSCGKSA-N 0 0 422.407 4.332 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1C#N ZINC000029870046 847637579 /nfs/dbraw/zinc/63/75/79/847637579.db2.gz XKEQGEPAOMRKAG-IBGZPJMESA-N 0 0 410.543 4.103 20 30 HIEDRN CCn1c(SCc2ccc(C#N)cc2)nc2ccc(Br)cc2c1=O ZINC000029874078 847638904 /nfs/dbraw/zinc/63/89/04/847638904.db2.gz NPWKGCGDFDHQDI-UHFFFAOYSA-N 0 0 400.301 4.343 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000436467119 861815441 /nfs/dbraw/zinc/81/54/41/861815441.db2.gz AACHFCZKGRCOGM-RTBURBONSA-N 0 0 415.415 4.028 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)COc1ccc(Cl)cc1 ZINC000030534337 847731757 /nfs/dbraw/zinc/73/17/57/847731757.db2.gz CYYVTLLZCSLCCB-GOSISDBHSA-N 0 0 415.946 4.240 20 30 HIEDRN COc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1Br ZINC000031171168 847835099 /nfs/dbraw/zinc/83/50/99/847835099.db2.gz NOXHEYYAXMSFSW-OLZOCXBDSA-N 0 0 402.292 4.451 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)ccc1OC(C)C ZINC000031512403 847898904 /nfs/dbraw/zinc/89/89/04/847898904.db2.gz QZJOXOGEEBJLRK-MRXNPFEDSA-N 0 0 412.534 4.019 20 30 HIEDRN C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 ZINC000032001744 847977625 /nfs/dbraw/zinc/97/76/25/847977625.db2.gz OKEDKHBECZSFSF-UHFFFAOYSA-N 0 0 410.882 4.374 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000032044632 847981174 /nfs/dbraw/zinc/98/11/74/847981174.db2.gz NSRQDCDMSPYWBT-GOSISDBHSA-N 0 0 423.476 4.209 20 30 HIEDRN CNC(=O)Nc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000032058408 847983797 /nfs/dbraw/zinc/98/37/97/847983797.db2.gz HROZAFPGGIACFA-UHFFFAOYSA-N 0 0 400.438 4.141 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=S)N=NC1c1cccc(C)c1 ZINC000032198640 847992682 /nfs/dbraw/zinc/99/26/82/847992682.db2.gz WBCZJKFMIRKJKU-UHFFFAOYSA-N 0 0 418.975 4.472 20 30 HIEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@@H]2C)c1 ZINC000032393650 848017897 /nfs/dbraw/zinc/01/78/97/848017897.db2.gz IIKNCSIGBBKNAJ-DOTOQJQBSA-N 0 0 418.946 4.107 20 30 HIEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC000032393651 848018124 /nfs/dbraw/zinc/01/81/24/848018124.db2.gz IIKNCSIGBBKNAJ-WBVHZDCISA-N 0 0 418.946 4.107 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)cc(C)c2C)cc1 ZINC000032413775 848020874 /nfs/dbraw/zinc/02/08/74/848020874.db2.gz WYWGJJXQCBSMAO-UHFFFAOYSA-N 0 0 416.543 4.151 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)ccc1OC ZINC000032656531 848060536 /nfs/dbraw/zinc/06/05/36/848060536.db2.gz CKLLBSPLDZJXJH-UHFFFAOYSA-N 0 0 419.275 4.054 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000032785902 848074955 /nfs/dbraw/zinc/07/49/55/848074955.db2.gz AZFBDHZWHDATCD-QHCPKHFHSA-N 0 0 418.566 4.415 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000032787006 848076049 /nfs/dbraw/zinc/07/60/49/848076049.db2.gz HVLHEIVALUYFBU-RTBURBONSA-N 0 0 420.582 4.455 20 30 HIEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000032808370 848078536 /nfs/dbraw/zinc/07/85/36/848078536.db2.gz NUIHKXKLHTUHBG-XMMPIXPASA-N 0 0 412.468 4.483 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000032928998 848093764 /nfs/dbraw/zinc/09/37/64/848093764.db2.gz BVFSITNGKKQZJX-OAQYLSRUSA-N 0 0 416.481 4.290 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000033195671 848123268 /nfs/dbraw/zinc/12/32/68/848123268.db2.gz DJLHDWSBNFGDKR-CYZMBNFOSA-N 0 0 408.342 4.351 20 30 HIEDRN O=C(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000035743550 848145696 /nfs/dbraw/zinc/14/56/96/848145696.db2.gz SHMDVOPVCJSARM-UHFFFAOYSA-N 0 0 408.273 4.232 20 30 HIEDRN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036022823 848146312 /nfs/dbraw/zinc/14/63/12/848146312.db2.gz ZMYIQKZJEGZQFB-QIQQCEGHSA-N 0 0 408.527 4.436 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nc2sccc2c1=O ZINC000036848818 848169550 /nfs/dbraw/zinc/16/95/50/848169550.db2.gz QCRZSBHOKGWETJ-OAHLLOKOSA-N 0 0 413.568 4.230 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC000436627766 861874187 /nfs/dbraw/zinc/87/41/87/861874187.db2.gz VFNSBLNRADSXCM-UHFFFAOYSA-N 0 0 411.505 4.011 20 30 HIEDRN C[C@](C#N)(NC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c21)C1CC1 ZINC000039561600 848189297 /nfs/dbraw/zinc/18/92/97/848189297.db2.gz UMQJJLKFDYELLB-HXUWFJFHSA-N 0 0 412.902 4.199 20 30 HIEDRN C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000039575863 848191815 /nfs/dbraw/zinc/19/18/15/848191815.db2.gz DMEHODCWJJJTSL-AWEZNQCLSA-N 0 0 403.577 4.246 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccc(OC)c1 ZINC000039755699 848195628 /nfs/dbraw/zinc/19/56/28/848195628.db2.gz DFNAMPDBAAFEGJ-MRXNPFEDSA-N 0 0 420.538 4.210 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)c1 ZINC000041195616 848205178 /nfs/dbraw/zinc/20/51/78/848205178.db2.gz RKZBVGUXMPOMQH-QFIPXVFZSA-N 0 0 415.518 4.343 20 30 HIEDRN CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000041217920 848207302 /nfs/dbraw/zinc/20/73/02/848207302.db2.gz WVFGLAISTUIZDH-QGZVFWFLSA-N 0 0 418.518 4.363 20 30 HIEDRN CCOc1ccc([C@H](NC(=O)COc2ccc(C#N)cc2OC)c2ccccc2)cc1 ZINC000041396413 848212799 /nfs/dbraw/zinc/21/27/99/848212799.db2.gz RPCURZCOWXEHGP-RUZDIDTESA-N 0 0 416.477 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C=CCn1c(=O)c2c3c(sc2nc1SCc1noc(C2CC2)n1)CCCCC3 ZINC000064652192 851948500 /nfs/dbraw/zinc/94/85/00/851948500.db2.gz BUQTYCNWOWTGAR-UHFFFAOYSA-N 0 0 414.556 4.466 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CSc2nnc(N3CCCC3)s2)ccc1Cl ZINC000064657933 851949336 /nfs/dbraw/zinc/94/93/36/851949336.db2.gz PVJMYBYPWHADKL-UHFFFAOYSA-N 0 0 421.979 4.139 20 30 HIEDRN COc1ccc(C[C@@H](NC(=O)CNc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000064722327 851967626 /nfs/dbraw/zinc/96/76/26/851967626.db2.gz QYNNNPLAHXQXOE-XMMPIXPASA-N 0 0 415.493 4.088 20 30 HIEDRN Cc1cc(CN(C)C(=O)CNc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000064737568 851971742 /nfs/dbraw/zinc/97/17/42/851971742.db2.gz RTTANCOHXKKTMK-UHFFFAOYSA-N 0 0 405.420 4.187 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000064743390 851974519 /nfs/dbraw/zinc/97/45/19/851974519.db2.gz VPIFUQFITWWIJI-UHFFFAOYSA-N 0 0 417.465 4.476 20 30 HIEDRN C=CCc1cc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)cc(OC)c1OC ZINC000065063898 852049472 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CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)Cc1ccc(C#N)cc1 ZINC000065234734 852092288 /nfs/dbraw/zinc/09/22/88/852092288.db2.gz NQQVCHCJJADPFG-UHFFFAOYSA-N 0 0 402.523 4.316 20 30 HIEDRN C=CCc1cc(CNC(=O)NCCSc2ccc(C)cc2)cc(OC)c1OC ZINC000065282811 852099859 /nfs/dbraw/zinc/09/98/59/852099859.db2.gz IFTCZWZMRNHBHX-UHFFFAOYSA-N 0 0 400.544 4.332 20 30 HIEDRN C[C@H](COCC(F)(F)F)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000065412349 852123359 /nfs/dbraw/zinc/12/33/59/852123359.db2.gz RYVONANTEXPCNC-OAHLLOKOSA-N 0 0 421.419 4.421 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 ZINC000437135382 862326614 /nfs/dbraw/zinc/32/66/14/862326614.db2.gz IVLODAZGBGFUGS-UHFFFAOYSA-N 0 0 417.465 4.066 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000065563281 852182466 /nfs/dbraw/zinc/18/24/66/852182466.db2.gz YBRQHUCMXYIHDZ-UHFFFAOYSA-N 0 0 407.514 4.240 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)cc2)cc1 ZINC000065620203 852202089 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HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(I)cc1 ZINC000071865343 852422258 /nfs/dbraw/zinc/42/22/58/852422258.db2.gz WLQFQTBZTUYHFB-UHFFFAOYSA-N 0 0 404.251 4.215 20 30 HIEDRN N#Cc1ccc(-c2ccc(OC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)cc1 ZINC000071885466 852424144 /nfs/dbraw/zinc/42/41/44/852424144.db2.gz XCIOVVCJDKPFEJ-GOSISDBHSA-N 0 0 418.399 4.462 20 30 HIEDRN N#Cc1ccc(-c2ccc(OC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)cc2)cc1 ZINC000071885467 852424470 /nfs/dbraw/zinc/42/44/70/852424470.db2.gz XCIOVVCJDKPFEJ-SFHVURJKSA-N 0 0 418.399 4.462 20 30 HIEDRN N#Cc1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 ZINC000071891145 852425471 /nfs/dbraw/zinc/42/54/71/852425471.db2.gz RQLYSMBNZXGSBM-UHFFFAOYSA-N 0 0 400.437 4.104 20 30 HIEDRN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000071901791 852427388 /nfs/dbraw/zinc/42/73/88/852427388.db2.gz FERYNRFPPRRXDC-UHFFFAOYSA-N 0 0 417.513 4.472 20 30 HIEDRN C[C@H](Sc1cc(C#N)ccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000071918341 852429656 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N#CCCN(Cc1cccnc1)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000072053639 852487761 /nfs/dbraw/zinc/48/77/61/852487761.db2.gz CFFRIMVGCGKGRC-XMMPIXPASA-N 0 0 409.493 4.331 20 30 HIEDRN CN(C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000078406809 852513042 /nfs/dbraw/zinc/51/30/42/852513042.db2.gz RCWHSJRCMRGDRJ-AWEZNQCLSA-N 0 0 406.914 4.322 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000078720057 852527200 /nfs/dbraw/zinc/52/72/00/852527200.db2.gz RXZQEWKJRSQLGB-AWEZNQCLSA-N 0 0 418.526 4.183 20 30 HIEDRN CCCN(CC(=O)Nc1ccccc1C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000096965962 852563348 /nfs/dbraw/zinc/56/33/48/852563348.db2.gz MVMFUUGNOSESTP-UHFFFAOYSA-N 0 0 416.525 4.397 20 30 HIEDRN N#CCCn1cc(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c2ccccc21 ZINC000096967555 852564602 /nfs/dbraw/zinc/56/46/02/852564602.db2.gz VTCKEMYZPRMCEC-HXUWFJFHSA-N 0 0 417.509 4.124 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)CN(CCC#N)Cc2ccco2)n(-c2ccccc2)n1 ZINC000096970637 852565640 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C=CCNC(=O)c1ccc(N2CCC[C@@H]2c2cc(F)cc(Br)c2)nc1 ZINC000302222845 854552961 /nfs/dbraw/zinc/55/29/61/854552961.db2.gz TUQARMJPCGJNJI-QGZVFWFLSA-N 0 0 404.283 4.241 20 30 HIEDRN CCOc1ccc(-n2c(Sc3cnc(C#N)cn3)nnc2-c2cccc(C)c2)cc1 ZINC000302236816 854555391 /nfs/dbraw/zinc/55/53/91/854555391.db2.gz KABSYTMSHNLTKK-UHFFFAOYSA-N 0 0 414.494 4.454 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)c(N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000302240889 854556141 /nfs/dbraw/zinc/55/61/41/854556141.db2.gz NKBNISFNPWOLLT-UHFFFAOYSA-N 0 0 411.225 4.061 20 30 HIEDRN COc1ccc(-n2c(Sc3cnc(C#N)cn3)nnc2-c2ccc(C)cc2)cc1 ZINC000302286468 854560353 /nfs/dbraw/zinc/56/03/53/854560353.db2.gz MBBWLABRFQJTEB-UHFFFAOYSA-N 0 0 400.467 4.064 20 30 HIEDRN N#Cc1cc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000302381414 854566412 /nfs/dbraw/zinc/56/64/12/854566412.db2.gz IAROBFJEXHVMBE-LJQANCHMSA-N 0 0 412.808 4.385 20 30 HIEDRN CC(=O)c1ccc(C#N)c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000302471929 854573842 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Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000303711727 855145415 /nfs/dbraw/zinc/14/54/15/855145415.db2.gz PYJZMVNEIUEEIE-UHFFFAOYSA-N 0 0 409.505 4.233 20 30 HIEDRN N#CC1(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CCOCC1 ZINC000303716264 855148139 /nfs/dbraw/zinc/14/81/39/855148139.db2.gz QQWNCUFANUARTH-UHFFFAOYSA-N 0 0 409.536 4.391 20 30 HIEDRN Cc1c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cnn1-c1ccc(F)cc1 ZINC000303731186 855157278 /nfs/dbraw/zinc/15/72/78/855157278.db2.gz ZHXORRZIIMAXBE-UHFFFAOYSA-N 0 0 409.305 4.277 20 30 HIEDRN Cc1cc(-c2cc(C(=O)NC3(C#N)CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000303730997 855157403 /nfs/dbraw/zinc/15/74/03/855157403.db2.gz UXPYZKQKEIBVIR-UHFFFAOYSA-N 0 0 423.542 4.160 20 30 HIEDRN Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)ccc1OCC(F)(F)F ZINC000303737866 855162993 /nfs/dbraw/zinc/16/29/93/855162993.db2.gz HGQVKRNEONSPMK-UHFFFAOYSA-N 0 0 407.392 4.097 20 30 HIEDRN Cc1csc(Sc2ccc(C(=O)N(CC#N)C3CCCC3)cc2[N+](=O)[O-])n1 ZINC000303758116 855178369 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HIEDRN CC1(C)[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]2CCO[C@@H]21 ZINC000303926127 855295363 /nfs/dbraw/zinc/29/53/63/855295363.db2.gz UWBSWBUYMQDDDE-VSKRKVRLSA-N 0 0 405.498 4.267 20 30 HIEDRN CCc1ccc([C@H](COC)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)o1 ZINC000303952328 855314746 /nfs/dbraw/zinc/31/47/46/855314746.db2.gz UDMCGBBATJOXNR-QFIPXVFZSA-N 0 0 404.466 4.410 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cccc(I)c2)cc1C(F)(F)F ZINC000316543870 855379545 /nfs/dbraw/zinc/37/95/45/855379545.db2.gz JGBZEZHPPJYLJE-UHFFFAOYSA-N 0 0 416.140 4.434 20 30 HIEDRN N#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1 ZINC000327774498 855420225 /nfs/dbraw/zinc/42/02/25/855420225.db2.gz MRUGYLNGDINNAL-UHFFFAOYSA-N 0 0 415.165 4.237 20 30 HIEDRN CC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(C)cc1 ZINC000409470486 855496719 /nfs/dbraw/zinc/49/67/19/855496719.db2.gz KSWBXDSQHVNCEY-QFIPXVFZSA-N 0 0 404.514 4.378 20 30 HIEDRN Cc1cc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)s1 ZINC000409508989 855515376 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4.270 20 30 HIEDRN CCCn1nccc1C1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000409638400 855576060 /nfs/dbraw/zinc/57/60/60/855576060.db2.gz KVCSXDJJRCQSOZ-UHFFFAOYSA-N 0 0 402.546 4.474 20 30 HIEDRN COc1ccc2oc([C@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c(C)c2c1 ZINC000409661319 855589589 /nfs/dbraw/zinc/58/95/89/855589589.db2.gz LUXUJOMZJBRMOF-HNNXBMFYSA-N 0 0 400.438 4.298 20 30 HIEDRN C=CCN(C(=O)CC1CC(c2ccccc2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000409673323 855595690 /nfs/dbraw/zinc/59/56/90/855595690.db2.gz YZCCKTCASGLODS-PGFLUOATSA-N 0 0 401.514 4.322 20 30 HIEDRN N#Cc1cc(N2CCOC[C@H]2c2nc3ccccc3s2)nc2ccc([N+](=O)[O-])cc12 ZINC000409672582 855595862 /nfs/dbraw/zinc/59/58/62/855595862.db2.gz RVDZPFSBRXESBZ-SFHVURJKSA-N 0 0 417.450 4.202 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409678826 855598101 /nfs/dbraw/zinc/59/81/01/855598101.db2.gz IJLAXGPSYSJVFL-KRWDZBQOSA-N 0 0 417.303 4.337 20 30 HIEDRN C=C(C)Cn1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1ccncc1 ZINC000409711001 855614905 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HIEDRN CN(C(=O)CNc1ccc(F)cc1OCCC(F)(F)F)C1(C#N)CCCCC1 ZINC000409855369 855690026 /nfs/dbraw/zinc/69/00/26/855690026.db2.gz DDUNPOGARUWEHZ-UHFFFAOYSA-N 0 0 401.404 4.254 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2 ZINC000409865156 855694382 /nfs/dbraw/zinc/69/43/82/855694382.db2.gz CTCCTOSVYRLEAG-UHFFFAOYSA-N 0 0 404.445 4.331 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](Nc3ccc(F)cc3OCCC(F)(F)F)C2=O)cc1 ZINC000409894409 855710244 /nfs/dbraw/zinc/71/02/44/855710244.db2.gz CJGUMWPNTDZLEA-KRWDZBQOSA-N 0 0 407.367 4.246 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(-n4cc(C(F)(F)F)cn4)c3)n2)c1 ZINC000409961422 855746551 /nfs/dbraw/zinc/74/65/51/855746551.db2.gz ZXEKQECOYOTNOM-UHFFFAOYSA-N 0 0 422.370 4.201 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000409979136 855758974 /nfs/dbraw/zinc/75/89/74/855758974.db2.gz JYBMRNSTWBHQTG-IBGZPJMESA-N 0 0 419.529 4.280 20 30 HIEDRN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409994644 855768479 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C=CCN1CC[C@H](N(C)C(=O)c2c(C)n(C3CCCCC3)c3ccc(OC)cc32)C1=O ZINC000410123078 855830112 /nfs/dbraw/zinc/83/01/12/855830112.db2.gz XYFVIKFAVUXKOC-QFIPXVFZSA-N 0 0 423.557 4.322 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)c1cccc(Br)c1I ZINC000410133079 855833564 /nfs/dbraw/zinc/83/35/64/855833564.db2.gz ZTBJTNBUZXUICI-SECBINFHSA-N 0 0 408.077 4.138 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000410137299 855835299 /nfs/dbraw/zinc/83/52/99/855835299.db2.gz MPUMZMIOLYOCOD-QZTJIDSGSA-N 0 0 415.559 4.081 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)[C@@H](Sc2cc(F)ccc2F)c2ccccc2)C1=O ZINC000410142348 855836978 /nfs/dbraw/zinc/83/69/78/855836978.db2.gz OTPBPAWFBFFEKV-ICSRJNTNSA-N 0 0 416.493 4.044 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4cncnc4)cn3)c2)cc1 ZINC000410162523 855845207 /nfs/dbraw/zinc/84/52/07/855845207.db2.gz SPGVZGXQQDVTSO-UHFFFAOYSA-N 0 0 407.433 4.242 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(Br)cc3)s2)C1=O ZINC000410179009 855851882 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N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)CCO2)c1 ZINC000426060986 856080513 /nfs/dbraw/zinc/08/05/13/856080513.db2.gz MFHKFHHBKXATAH-SJORKVTESA-N 0 0 401.919 4.434 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)N[C@H]3CCCc4sc(Cl)cc43)CCO2)c1 ZINC000426060985 856080737 /nfs/dbraw/zinc/08/07/37/856080737.db2.gz MFHKFHHBKXATAH-IRXDYDNUSA-N 0 0 401.919 4.434 20 30 HIEDRN COCC1(C#N)CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426084744 856096878 /nfs/dbraw/zinc/09/68/78/856096878.db2.gz JSUPDOODWXTLAK-QGZVFWFLSA-N 0 0 420.351 4.034 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000426095596 856104936 /nfs/dbraw/zinc/10/49/36/856104936.db2.gz FWVRAMCZCHLCGM-IFMALSPDSA-N 0 0 401.470 4.204 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(n3cc(Br)cn3)CC2)c(Cl)c1 ZINC000426126111 856125103 /nfs/dbraw/zinc/12/51/03/856125103.db2.gz GMKHXAMXNUIQJK-UHFFFAOYSA-N 0 0 408.687 4.040 20 30 HIEDRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(C#N)cc1Cl)CC3 ZINC000426133032 856128188 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C=CCc1cc(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)cc(OC)c1OC ZINC000426253699 856203791 /nfs/dbraw/zinc/20/37/91/856203791.db2.gz BADOCRYWAYLCIW-UHFFFAOYSA-N 0 0 407.474 4.179 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000426260265 856207131 /nfs/dbraw/zinc/20/71/31/856207131.db2.gz FSUADYNSCLYEIU-ACJLOTCBSA-N 0 0 415.453 4.083 20 30 HIEDRN O=C(Nc1ccc(F)cc1)NC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426359440 856258322 /nfs/dbraw/zinc/25/83/22/856258322.db2.gz CNEAEKHPGLXQTI-UHFFFAOYSA-N 0 0 419.422 4.482 20 30 HIEDRN C=CCOc1ccc(CN(CCO)Cc2cc(Br)cs2)cc1OC ZINC000426379324 856266082 /nfs/dbraw/zinc/26/60/82/856266082.db2.gz PHMJDJNPKHFSAR-UHFFFAOYSA-N 0 0 412.349 4.079 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)NC3(C(=O)Nc4ccccc4)CC3)cc2)cc1 ZINC000426381487 856267088 /nfs/dbraw/zinc/26/70/88/856267088.db2.gz WEJJAJBKNWYATI-UHFFFAOYSA-N 0 0 411.461 4.446 20 30 HIEDRN N#Cc1ccc(-c2nc(-c3ccccc3-c3ccc(CN4CCOCC4)cc3)no2)o1 ZINC000426421246 856282399 /nfs/dbraw/zinc/28/23/99/856282399.db2.gz PLGKKPFKHZUKSC-UHFFFAOYSA-N 0 0 412.449 4.367 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2cccc(NS(C)(=O)=O)c2)no1 ZINC000426425191 856284404 /nfs/dbraw/zinc/28/44/04/856284404.db2.gz PHRHNHPCMCOANH-UHFFFAOYSA-N 0 0 410.480 4.170 20 30 HIEDRN COc1ccc(C[C@@H](NC(=O)CNc2cccc(C#N)c2)c2ccccc2)cc1OC ZINC000426446253 856294683 /nfs/dbraw/zinc/29/46/83/856294683.db2.gz VHPDAHMYHMKYPF-JOCHJYFZSA-N 0 0 415.493 4.088 20 30 HIEDRN CN(C(=O)CNc1cccc(C#N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000426453697 856298646 /nfs/dbraw/zinc/29/86/46/856298646.db2.gz IQEGNYYKNGKMIC-KRWDZBQOSA-N 0 0 416.344 4.428 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3ccon3)sc2C1 ZINC000426472117 856310116 /nfs/dbraw/zinc/31/01/16/856310116.db2.gz YIDBBJHIOGWCRY-CQSZACIVSA-N 0 0 400.548 4.219 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000426480579 856313647 /nfs/dbraw/zinc/31/36/47/856313647.db2.gz UZUPTTYTYDXUPF-UHFFFAOYSA-N 0 0 410.930 4.267 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1Oc1ccccc1 ZINC000426511276 856326426 /nfs/dbraw/zinc/32/64/26/856326426.db2.gz RDHAQLAYSSFJBI-LEWJYISDSA-N 0 0 415.424 4.100 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2CSc3ccccc32)ccc1Oc1ccccc1 ZINC000426516451 856329809 /nfs/dbraw/zinc/32/98/09/856329809.db2.gz NIJOSOYKIQJIJR-IBGZPJMESA-N 0 0 415.474 4.252 20 30 HIEDRN C[C@@H](CCCC(F)(F)F)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000426542904 856340177 /nfs/dbraw/zinc/34/01/77/856340177.db2.gz GLEHAZPVONKDGE-INIZCTEOSA-N 0 0 402.416 4.262 20 30 HIEDRN C[C@H](c1cccc(O)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426543866 856341272 /nfs/dbraw/zinc/34/12/72/856341272.db2.gz YVWMFKCRSHRRBV-MRXNPFEDSA-N 0 0 415.449 4.214 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)CCCC(F)(F)F ZINC000426562425 856349889 /nfs/dbraw/zinc/34/98/89/856349889.db2.gz SCVVUNRAVYGRQK-OLZOCXBDSA-N 0 0 401.454 4.114 20 30 HIEDRN CCc1nn(C)cc1-c1noc(C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 ZINC000426572804 856354154 /nfs/dbraw/zinc/35/41/54/856354154.db2.gz HAQVGKJHEMEISI-UHFFFAOYSA-N 0 0 410.909 4.116 20 30 HIEDRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000437419338 862788703 /nfs/dbraw/zinc/78/87/03/862788703.db2.gz JJXWBGYLWLVUAS-UHFFFAOYSA-N 0 0 414.465 4.302 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)cc1OC ZINC000426653365 856394887 /nfs/dbraw/zinc/39/48/87/856394887.db2.gz AYAWXJGNGAGKOQ-UHFFFAOYSA-N 0 0 420.868 4.141 20 30 HIEDRN Cc1ccc(C[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C(=O)[O-])cc1 ZINC000426659740 856398534 /nfs/dbraw/zinc/39/85/34/856398534.db2.gz IIZQIYPRMUORQC-DEOSSOPVSA-N 0 0 414.505 4.479 20 30 HIEDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426689763 856414263 /nfs/dbraw/zinc/41/42/63/856414263.db2.gz XEXBZLMZZHAZAG-QFIPXVFZSA-N 0 0 411.461 4.401 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@]2(C)C(=O)[O-])cc1OCC ZINC000426729406 856437812 /nfs/dbraw/zinc/43/78/12/856437812.db2.gz CNSCSAQYKPSYIP-LPHOPBHVSA-N 0 0 412.324 4.146 20 30 HIEDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OCCCC#N ZINC000426729673 856439185 /nfs/dbraw/zinc/43/91/85/856439185.db2.gz FVFAHEZEBFRECP-LJQANCHMSA-N 0 0 406.841 4.086 20 30 HIEDRN COc1ccccc1[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000426769581 856467482 /nfs/dbraw/zinc/46/74/82/856467482.db2.gz KBIALCNHSZYQIK-HSZRJFAPSA-N 0 0 402.450 4.061 20 30 HIEDRN Cc1nc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)cs1 ZINC000426772714 856470681 /nfs/dbraw/zinc/47/06/81/856470681.db2.gz LGOKTBOHKFHARV-QGZVFWFLSA-N 0 0 400.573 4.429 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1C#N ZINC000437438904 862808691 /nfs/dbraw/zinc/80/86/91/862808691.db2.gz MOLDXLUORISKCZ-DYVFJYSZSA-N 0 0 415.465 4.440 20 30 HIEDRN Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426923746 856543513 /nfs/dbraw/zinc/54/35/13/856543513.db2.gz LQLHANINNAVKCQ-UHFFFAOYSA-N 0 0 417.440 4.096 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000426994808 856585552 /nfs/dbraw/zinc/58/55/52/856585552.db2.gz KDMVHSDZIPNRBS-HUUCEWRRSA-N 0 0 417.214 4.297 20 30 HIEDRN N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427020134 856598294 /nfs/dbraw/zinc/59/82/94/856598294.db2.gz OULJNYOOCCVYTJ-QGZVFWFLSA-N 0 0 411.918 4.439 20 30 HIEDRN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)[nH]n2)c(C)c1 ZINC000427070159 856620430 /nfs/dbraw/zinc/62/04/30/856620430.db2.gz RPRCGCMFHOIGFW-UHFFFAOYSA-N 0 0 400.482 4.249 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(Cl)cc3F)cc2)cc1 ZINC000427092669 856631019 /nfs/dbraw/zinc/63/10/19/856631019.db2.gz JUXURABISXOXDL-UHFFFAOYSA-N 0 0 423.831 4.398 20 30 HIEDRN Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)cc2)n1 ZINC000427109037 856642675 /nfs/dbraw/zinc/64/26/75/856642675.db2.gz FPWYTLXHBCUIGW-UHFFFAOYSA-N 0 0 414.487 4.056 20 30 HIEDRN C=CC[C@@H](C(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000427111404 856645034 /nfs/dbraw/zinc/64/50/34/856645034.db2.gz RJECFBJHCDFQLF-XMMPIXPASA-N 0 0 420.553 4.049 20 30 HIEDRN C=CC[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccccc1 ZINC000427121107 856650256 /nfs/dbraw/zinc/65/02/56/856650256.db2.gz GSLGXOYLUDMXED-KRWDZBQOSA-N 0 0 411.303 4.210 20 30 HIEDRN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000427123211 856652179 /nfs/dbraw/zinc/65/21/79/856652179.db2.gz HPCBWGOWUWJWEQ-CQSZACIVSA-N 0 0 410.836 4.421 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F ZINC000427135243 856661764 /nfs/dbraw/zinc/66/17/64/856661764.db2.gz BHMBRHFBEDLWOJ-UHFFFAOYSA-N 0 0 410.430 4.142 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1F ZINC000437459241 862822076 /nfs/dbraw/zinc/82/20/76/862822076.db2.gz CAZIHSJNGKSXFB-UHFFFAOYSA-N 0 0 409.442 4.310 20 30 HIEDRN C=CCC[C@H](C(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1)c1ccccc1 ZINC000427260095 856741629 /nfs/dbraw/zinc/74/16/29/856741629.db2.gz JULBRCHRBNHKJM-OALUTQOASA-N 0 0 410.480 4.386 20 30 HIEDRN O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1Cc1nccn1C(F)F ZINC000427273866 856746511 /nfs/dbraw/zinc/74/65/11/856746511.db2.gz HRPALXSZMYCGLX-UHFFFAOYSA-N 0 0 412.240 4.074 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000437479887 862839324 /nfs/dbraw/zinc/83/93/24/862839324.db2.gz UXYWTSROPIGSCQ-BEFAXECRSA-N 0 0 409.511 4.226 20 30 HIEDRN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC000437474749 862835212 /nfs/dbraw/zinc/83/52/12/862835212.db2.gz OZLDTJLLHIMXBN-UHFFFAOYSA-N 0 0 424.453 4.287 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C(F)(F)F)nc1OC(C)C ZINC000427364221 856796288 /nfs/dbraw/zinc/79/62/88/856796288.db2.gz DICACWDKGJCLFL-UHFFFAOYSA-N 0 0 417.391 4.381 20 30 HIEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 ZINC000427374678 856800356 /nfs/dbraw/zinc/80/03/56/856800356.db2.gz JIWMBVKGKPONOM-NRFANRHFSA-N 0 0 413.481 4.408 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC000427417293 856811670 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404.514 4.390 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CCO)Cc2cccc(F)c2)cc1 ZINC000427581236 856876593 /nfs/dbraw/zinc/87/65/93/856876593.db2.gz WCMLUHXMWFBLGS-UHFFFAOYSA-N 0 0 408.404 4.263 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(F)cc(Br)c1F)c1ccccc1 ZINC000427581271 856876943 /nfs/dbraw/zinc/87/69/43/856876943.db2.gz WLCOEJBPIPIFSU-OAHLLOKOSA-N 0 0 423.257 4.490 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437487547 862845751 /nfs/dbraw/zinc/84/57/51/862845751.db2.gz APBJTYYYWNGLSD-JCNLHEQBSA-N 0 0 417.431 4.290 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000437490234 862847702 /nfs/dbraw/zinc/84/77/02/862847702.db2.gz BZFVXEPSSQUJQH-VFNWGFHPSA-N 0 0 412.442 4.107 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N(CCC(F)(F)F)CC3CC3)C2)c(F)c1 ZINC000437490430 862848712 /nfs/dbraw/zinc/84/87/12/862848712.db2.gz CZVMVFFFBHZCSU-MRXNPFEDSA-N 0 0 412.431 4.040 20 30 HIEDRN C=CCCCS(=O)(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC000427740719 856933209 /nfs/dbraw/zinc/93/32/09/856933209.db2.gz AUWDUDYDYRZHMO-UHFFFAOYSA-N 0 0 413.312 4.286 20 30 HIEDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1cc(C#N)cn1C)C1CC1 ZINC000427758095 856941270 /nfs/dbraw/zinc/94/12/70/856941270.db2.gz MAMFITZQAUMDNS-GOSISDBHSA-N 0 0 420.296 4.113 20 30 HIEDRN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C#N)nc1)C1CC1 ZINC000427759896 856942163 /nfs/dbraw/zinc/94/21/63/856942163.db2.gz BZJBHDJTPCWISF-SFHVURJKSA-N 0 0 418.280 4.169 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000437499089 862854264 /nfs/dbraw/zinc/85/42/64/862854264.db2.gz OXYUNAHHXQEKDQ-FOIQADDNSA-N 0 0 410.543 4.452 20 30 HIEDRN CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000437499526 862854489 /nfs/dbraw/zinc/85/44/89/862854489.db2.gz PRZZZOALGVVMGC-KRWDZBQOSA-N 0 0 409.461 4.467 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sc(-c2ccc(OCC)cc2)nc1CC ZINC000437500221 862855304 /nfs/dbraw/zinc/85/53/04/862855304.db2.gz 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C=C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000428045290 857053812 /nfs/dbraw/zinc/05/38/12/857053812.db2.gz PYZXUFVFNKOSPA-SFHVURJKSA-N 0 0 402.491 4.116 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000428164271 857093198 /nfs/dbraw/zinc/09/31/98/857093198.db2.gz KZCNGAUWSKEVLD-PZJWPPBQSA-N 0 0 423.538 4.470 20 30 HIEDRN CCO[C@@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C12CCCC2 ZINC000437533859 862870328 /nfs/dbraw/zinc/87/03/28/862870328.db2.gz GAOIZSMTRNHWFL-RTBURBONSA-N 0 0 410.543 4.465 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000428203656 857110385 /nfs/dbraw/zinc/11/03/85/857110385.db2.gz YLDZIQGSAQVJIA-LJQANCHMSA-N 0 0 419.506 4.129 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1ccccc1 ZINC000428283261 857141235 /nfs/dbraw/zinc/14/12/35/857141235.db2.gz SMGVGWHJGYNFHD-UHFFFAOYSA-N 0 0 419.916 4.080 20 30 HIEDRN C=CCN(C(=O)c1cccc(N2CCNC2=O)c1C)c1nc(-c2ccccc2)cs1 ZINC000428336628 857160000 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405.454 4.230 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC000430200129 858079239 /nfs/dbraw/zinc/07/92/39/858079239.db2.gz FUZNSDKUAWAXRK-GOSISDBHSA-N 0 0 401.388 4.269 20 30 HIEDRN Cc1cc([C@@H]2CCCN2CC(=O)Nc2sccc2C#N)ccc1Br ZINC000430243562 858094768 /nfs/dbraw/zinc/09/47/68/858094768.db2.gz UKJQIYBCAUFSRP-INIZCTEOSA-N 0 0 404.333 4.466 20 30 HIEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000430316555 858120218 /nfs/dbraw/zinc/12/02/18/858120218.db2.gz FCGMMVMGHJNYFV-AUUYWEPGSA-N 0 0 405.420 4.241 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1 ZINC000430348799 858128991 /nfs/dbraw/zinc/12/89/91/858128991.db2.gz BXSBRHTXTLBIQG-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)c(Cl)c1 ZINC000430364196 858134897 /nfs/dbraw/zinc/13/48/97/858134897.db2.gz IQWJVMIZLCUQKL-OAQYLSRUSA-N 0 0 417.852 4.406 20 30 HIEDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000430365413 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418.884 4.408 20 30 HIEDRN C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430481442 858190122 /nfs/dbraw/zinc/19/01/22/858190122.db2.gz TXNOLHRGUQQNLS-CYBMUJFWSA-N 0 0 412.902 4.372 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c1 ZINC000430616108 858236686 /nfs/dbraw/zinc/23/66/86/858236686.db2.gz DQQZRYCTZBMOHP-UHFFFAOYSA-N 0 0 410.890 4.061 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3c4ccccc4S[C@H](C)[C@@H]3C)C2)n1 ZINC000430665668 858257374 /nfs/dbraw/zinc/25/73/74/858257374.db2.gz XUMGVODUAHKVPL-SCTDSRPQSA-N 0 0 406.555 4.394 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)CCc1cc(Cl)ccc1Br ZINC000430689494 858270671 /nfs/dbraw/zinc/27/06/71/858270671.db2.gz FDENIDZFGFFIGV-UHFFFAOYSA-N 0 0 406.711 4.373 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000430735909 858281080 /nfs/dbraw/zinc/28/10/80/858281080.db2.gz RIBMVUWAEFDDIR-UHFFFAOYSA-N 0 0 423.519 4.355 20 30 HIEDRN CN1C(=O)N(Cc2ccc(F)cc2C(F)(F)F)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000430821906 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SSHXJFYSDZRSKU-GOSISDBHSA-N 0 0 413.319 4.121 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(SCC#N)c2)cc1C ZINC000430949097 858379434 /nfs/dbraw/zinc/37/94/34/858379434.db2.gz BHUATKLXJCEGAL-IBGZPJMESA-N 0 0 411.552 4.073 20 30 HIEDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCC1(CC#N)CC1)CCO2 ZINC000431054991 858422359 /nfs/dbraw/zinc/42/23/59/858422359.db2.gz FVAPZLPJYCRRBX-NRFANRHFSA-N 0 0 405.498 4.424 20 30 HIEDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437685017 863024417 /nfs/dbraw/zinc/02/44/17/863024417.db2.gz FAXKLYKHNPTHKI-UHFFFAOYSA-N 0 0 417.400 4.439 20 30 HIEDRN N#CCC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC1 ZINC000431148584 858471324 /nfs/dbraw/zinc/47/13/24/858471324.db2.gz YMTLMAHJJMXOBH-PUHATCMVSA-N 0 0 415.537 4.423 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000431240549 858524726 /nfs/dbraw/zinc/52/47/26/858524726.db2.gz XZMCVVZZQCPEGL-AVYPCKFXSA-N 0 0 413.436 4.069 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc(Oc3ccc(CC#N)cc3)cc1)C[C@H](C)O2 ZINC000431242993 858526701 /nfs/dbraw/zinc/52/67/01/858526701.db2.gz RIBWRZTWTJBFLU-HHJKRLRDSA-N 0 0 420.509 4.344 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCCOc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000431284819 858546161 /nfs/dbraw/zinc/54/61/61/858546161.db2.gz RJESPRXTGXYUIY-KRWDZBQOSA-N 0 0 406.408 4.214 20 30 HIEDRN CCOC(=O)c1sc([C@@H](C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)nc1C ZINC000431292008 858550279 /nfs/dbraw/zinc/55/02/79/858550279.db2.gz ADCDKRZZKPJVEX-WBVHZDCISA-N 0 0 414.531 4.424 20 30 HIEDRN C=CCc1cc(C(=O)N(CCc2ccccn2)Cc2cccnc2)cc(OC)c1OC ZINC000431307493 858557080 /nfs/dbraw/zinc/55/70/80/858557080.db2.gz RTKQHZAZIHTKRF-UHFFFAOYSA-N 0 0 417.509 4.107 20 30 HIEDRN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(CO)(c2ccccc2)CC1 ZINC000431499063 858645215 /nfs/dbraw/zinc/64/52/15/858645215.db2.gz CICUFHFXJKLZCI-UHFFFAOYSA-N 0 0 409.436 4.238 20 30 HIEDRN COC(=O)c1cccc(NC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000431524449 858656840 /nfs/dbraw/zinc/65/68/40/858656840.db2.gz LIMGUJVWVAGKEP-UHFFFAOYSA-N 0 0 420.513 4.383 20 30 HIEDRN COCCn1nc(C)c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1C ZINC000431557776 858669180 /nfs/dbraw/zinc/66/91/80/858669180.db2.gz QANUJZVOWAPEQQ-UHFFFAOYSA-N 0 0 408.433 4.202 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000431581750 858676324 /nfs/dbraw/zinc/67/63/24/858676324.db2.gz DELQIAJLTZHIBL-UHFFFAOYSA-N 0 0 406.660 4.411 20 30 HIEDRN CNC(=O)COc1ccc(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(C)c1 ZINC000431600348 858683549 /nfs/dbraw/zinc/68/35/49/858683549.db2.gz ADTSMDCAFWQHBC-UHFFFAOYSA-N 0 0 413.477 4.164 20 30 HIEDRN C=CCN1C(=O)N(Cc2cc(C)ccc2OC(F)F)C(=O)[C@H]1Cc1ccccc1 ZINC000431638768 858705062 /nfs/dbraw/zinc/70/50/62/858705062.db2.gz LSLKBEVOQICGPW-GOSISDBHSA-N 0 0 400.425 4.158 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000431639457 858705663 /nfs/dbraw/zinc/70/56/63/858705663.db2.gz NHVHKDBXJMPUII-QGZVFWFLSA-N 0 0 407.417 4.291 20 30 HIEDRN CN1c2ccc(S(=O)(=O)N[C@H](CCCC#N)c3ccccc3)c3cccc(c23)C1=O ZINC000431639839 858706027 /nfs/dbraw/zinc/70/60/27/858706027.db2.gz ZCVDPNHBHXBMGT-LJQANCHMSA-N 0 0 419.506 4.143 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000431639417 858706073 /nfs/dbraw/zinc/70/60/73/858706073.db2.gz NDCHPOCCMAZPBK-QGZVFWFLSA-N 0 0 418.316 4.034 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1noc(Cc2ccccc2)n1 ZINC000431649721 858711653 /nfs/dbraw/zinc/71/16/53/858711653.db2.gz XLNAGJOEEIKABJ-DZFGPLHGSA-N 0 0 415.497 4.203 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000431734598 858773511 /nfs/dbraw/zinc/77/35/11/858773511.db2.gz WYLILDDGRMIODU-KRWDZBQOSA-N 0 0 405.433 4.467 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431801106 858818523 /nfs/dbraw/zinc/81/85/23/858818523.db2.gz QGPKNYYSWCZIFN-UHFFFAOYSA-N 0 0 408.376 4.293 20 30 HIEDRN CCN(CC)C(=O)c1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000431820085 858827263 /nfs/dbraw/zinc/82/72/63/858827263.db2.gz ALSYAUIDPSBCML-JOCHJYFZSA-N 0 0 406.530 4.403 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000467530794 881351032 /nfs/dbraw/zinc/35/10/32/881351032.db2.gz UJQATGBSWBTZQX-UHFFFAOYSA-N 0 0 416.506 4.009 20 30 HIEDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431875953 858851746 /nfs/dbraw/zinc/85/17/46/858851746.db2.gz RNMPZDYVXUGGCM-UHFFFAOYSA-N 0 0 419.506 4.334 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000431924774 858873239 /nfs/dbraw/zinc/87/32/39/858873239.db2.gz LHGXATAVJNHHHS-RBBKRZOGSA-N 0 0 419.504 4.401 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000431964807 858891598 /nfs/dbraw/zinc/89/15/98/858891598.db2.gz OQSQCOSMTMSJJS-UHFFFAOYSA-N 0 0 424.504 4.221 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000467536013 881357427 /nfs/dbraw/zinc/35/74/27/881357427.db2.gz CSTXBAXRZMXKBZ-JOCHJYFZSA-N 0 0 424.547 4.226 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCc1nccn1CCc1ccccc1)c1ccccc1 ZINC000431986010 858905437 /nfs/dbraw/zinc/90/54/37/858905437.db2.gz KYUNRTVRPVTLEZ-QFIPXVFZSA-N 0 0 401.514 4.360 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000431986582 858905654 /nfs/dbraw/zinc/90/56/54/858905654.db2.gz MHJRISYKOYUHOH-DEOSSOPVSA-N 0 0 421.497 4.461 20 30 HIEDRN CCC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)c1cccc(C(F)(F)F)c1 ZINC000431997466 858913760 /nfs/dbraw/zinc/91/37/60/858913760.db2.gz HRPGEPFRDSOISU-GOSISDBHSA-N 0 0 403.404 4.482 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000467540762 881362804 /nfs/dbraw/zinc/36/28/04/881362804.db2.gz CUYRGUYBBMDLFL-GUYCJALGSA-N 0 0 423.344 4.038 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000467540763 881362025 /nfs/dbraw/zinc/36/20/25/881362025.db2.gz CUYRGUYBBMDLFL-SUMWQHHRSA-N 0 0 423.344 4.038 20 30 HIEDRN CN1C(=O)N([C@@H](CCCC#N)c2ccccc2)C(=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000432034083 858941820 /nfs/dbraw/zinc/94/18/20/858941820.db2.gz QYWGCEWDWNMWGV-HKUYNNGSSA-N 0 0 401.388 4.474 20 30 HIEDRN COc1cc(CCC2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)cc(OC)c1 ZINC000432046829 858948254 /nfs/dbraw/zinc/94/82/54/858948254.db2.gz KMWTZCHPNDBYLU-UHFFFAOYSA-N 0 0 421.541 4.126 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2ccco2)c2ccccc2OC)C(=O)[C@H]1Cc1ccccc1 ZINC000432049845 858951165 /nfs/dbraw/zinc/95/11/65/858951165.db2.gz OJCLDKDIQQHYDG-OFNKIYASSA-N 0 0 416.477 4.439 20 30 HIEDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cscc3C#N)ccc2C)c1 ZINC000432054775 858953431 /nfs/dbraw/zinc/95/34/31/858953431.db2.gz WLQSFQIJKOWMLE-UHFFFAOYSA-N 0 0 411.508 4.290 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@]2(CCCOC2)O1 ZINC000432060902 858959377 /nfs/dbraw/zinc/95/93/77/858959377.db2.gz LDFPDWSUJBXUNO-UZUQRXQVSA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N(CCCO)Cc3ccccn3)c2)cc1 ZINC000432062124 858959584 /nfs/dbraw/zinc/95/95/84/858959584.db2.gz KKGASSKNPJTOKO-UHFFFAOYSA-N 0 0 402.454 4.162 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@]2(CCCOC2)O1 ZINC000432060739 858959735 /nfs/dbraw/zinc/95/97/35/858959735.db2.gz FPWHWTAZIKKPAN-UZUQRXQVSA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@@H](CO)CC3CCC3)cc2Cl)c1 ZINC000432073105 858968358 /nfs/dbraw/zinc/96/83/58/858968358.db2.gz BJPMUCLRHHITDJ-LJQANCHMSA-N 0 0 413.905 4.463 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000432076226 858971794 /nfs/dbraw/zinc/97/17/94/858971794.db2.gz CNSPULBULBWPGH-HRAATJIYSA-N 0 0 403.548 4.273 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c1 ZINC000432085655 858978768 /nfs/dbraw/zinc/97/87/68/858978768.db2.gz RFVHVSGVMJWZNW-UONOGXRCSA-N 0 0 409.339 4.439 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000432104411 858993362 /nfs/dbraw/zinc/99/33/62/858993362.db2.gz ZQMPYZZIYUQOKL-HRAATJIYSA-N 0 0 403.548 4.130 20 30 HIEDRN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)C#N)cc2)c1C ZINC000432108890 858995619 /nfs/dbraw/zinc/99/56/19/858995619.db2.gz QJVADDUMRFIGFD-HNNXBMFYSA-N 0 0 413.543 4.044 20 30 HIEDRN CC1(C)C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000432146659 859015528 /nfs/dbraw/zinc/01/55/28/859015528.db2.gz CFSMASPVOCIVAI-JOCHJYFZSA-N 0 0 416.525 4.341 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)s3)C2)n1 ZINC000432183583 859035103 /nfs/dbraw/zinc/03/51/03/859035103.db2.gz ZXBDBCMHIWQKIQ-KRWDZBQOSA-N 0 0 421.501 4.379 20 30 HIEDRN CNC(=O)COc1ccc(NC(=O)Nc2ccccc2C#Cc2ccccc2)c(C)c1 ZINC000432245602 859065738 /nfs/dbraw/zinc/06/57/38/859065738.db2.gz JEHUHWINUWAHKV-UHFFFAOYSA-N 0 0 413.477 4.164 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)ccc1Cl ZINC000432270799 859078508 /nfs/dbraw/zinc/07/85/08/859078508.db2.gz OJNQDEQNHMTYAI-AWEZNQCLSA-N 0 0 400.809 4.457 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000432285014 859085304 /nfs/dbraw/zinc/08/53/04/859085304.db2.gz MUXQYSOMRSANIS-HNNXBMFYSA-N 0 0 413.319 4.277 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccc(Br)cc1 ZINC000432285478 859085387 /nfs/dbraw/zinc/08/53/87/859085387.db2.gz UWCPZTPKBBOFAP-QGZVFWFLSA-N 0 0 416.275 4.055 20 30 HIEDRN COC(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1C)c1ccc(Br)cc1 ZINC000432285477 859085478 /nfs/dbraw/zinc/08/54/78/859085478.db2.gz UWCPZTPKBBOFAP-KRWDZBQOSA-N 0 0 416.275 4.055 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1C(F)(F)F ZINC000432290206 859086975 /nfs/dbraw/zinc/08/69/75/859086975.db2.gz AXHDFDGRIJZPAQ-GOSISDBHSA-N 0 0 406.429 4.493 20 30 HIEDRN CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000432303038 859093368 /nfs/dbraw/zinc/09/33/68/859093368.db2.gz PESOIXRVXNKNLE-UHFFFAOYSA-N 0 0 406.788 4.190 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCC[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000432306820 859096183 /nfs/dbraw/zinc/09/61/83/859096183.db2.gz JSVRNVNPXMYCPL-CQSZACIVSA-N 0 0 402.825 4.226 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432335142 859107819 /nfs/dbraw/zinc/10/78/19/859107819.db2.gz LIGCJMISRZLPFI-QGZVFWFLSA-N 0 0 417.513 4.475 20 30 HIEDRN CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)N(CC#N)c1ccccc1 ZINC000432351798 859115881 /nfs/dbraw/zinc/11/58/81/859115881.db2.gz QVXOISKIGVXWAU-UHFFFAOYSA-N 0 0 421.678 4.241 20 30 HIEDRN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N[C@@H](C)C#N)cc1OC ZINC000432362302 859121386 /nfs/dbraw/zinc/12/13/86/859121386.db2.gz KFBZVOZCKROYSR-ZKMNFCBKSA-N 0 0 413.477 4.381 20 30 HIEDRN N#Cc1nn(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c2ccccc12 ZINC000432459639 859173015 /nfs/dbraw/zinc/17/30/15/859173015.db2.gz ZYDRCXIBHDYUOW-HSZRJFAPSA-N 0 0 400.869 4.467 20 30 HIEDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000432471141 859180502 /nfs/dbraw/zinc/18/05/02/859180502.db2.gz WTZQHJVJDOJICE-UHFFFAOYSA-N 0 0 420.513 4.224 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000432485687 859188682 /nfs/dbraw/zinc/18/86/82/859188682.db2.gz NJHNGKDXHDJKPU-VWLOTQADSA-N 0 0 412.493 4.100 20 30 HIEDRN C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ncc(Br)cn1 ZINC000432524196 859207576 /nfs/dbraw/zinc/20/75/76/859207576.db2.gz QDMTXQWTQHXIPV-BBRMVZONSA-N 0 0 402.296 4.034 20 30 HIEDRN Cc1cc(C)n(-c2ccccc2NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000432580228 859237181 /nfs/dbraw/zinc/23/71/81/859237181.db2.gz RZJMUHLCTSJSAV-UHFFFAOYSA-N 0 0 401.470 4.108 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Br)cc1F ZINC000432579026 859237519 /nfs/dbraw/zinc/23/75/19/859237519.db2.gz MYPDMCFDTZVFGW-UHFFFAOYSA-N 0 0 404.239 4.207 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H](c3ccccc3)C3CC3)CC2)c1 ZINC000432617684 859256820 /nfs/dbraw/zinc/25/68/20/859256820.db2.gz NHLNIGMFQPCREX-HSZRJFAPSA-N 0 0 416.525 4.112 20 30 HIEDRN Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000432629468 859262396 /nfs/dbraw/zinc/26/23/96/859262396.db2.gz ALBDVHJINUCATH-GOSISDBHSA-N 0 0 405.483 4.070 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000432742232 859330400 /nfs/dbraw/zinc/33/04/00/859330400.db2.gz RCMCESHWFZODGY-UHFFFAOYSA-N 0 0 423.257 4.189 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432747038 859332577 /nfs/dbraw/zinc/33/25/77/859332577.db2.gz LMUPLFJWIKDZGW-UHFFFAOYSA-N 0 0 408.405 4.209 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1 ZINC000432749671 859333512 /nfs/dbraw/zinc/33/35/12/859333512.db2.gz VNOXXTYDGGYTBM-ZDUSSCGKSA-N 0 0 410.783 4.311 20 30 HIEDRN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1C(C)C ZINC000432756084 859336991 /nfs/dbraw/zinc/33/69/91/859336991.db2.gz GAJSIBMWUQNQEQ-FPOVZHCZSA-N 0 0 407.470 4.402 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(CCO)CCCC2)cc1 ZINC000467608387 881414426 /nfs/dbraw/zinc/41/44/26/881414426.db2.gz NYJHIVDVKXFTQP-UHFFFAOYSA-N 0 0 409.486 4.423 20 30 HIEDRN CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432852712 859389879 /nfs/dbraw/zinc/38/98/79/859389879.db2.gz HGLYUSQDWANANG-ZDUSSCGKSA-N 0 0 423.332 4.101 20 30 HIEDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432855406 859389909 /nfs/dbraw/zinc/38/99/09/859389909.db2.gz RIPYHRRFRYLECQ-GFCCVEGCSA-N 0 0 411.296 4.232 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432854098 859390247 /nfs/dbraw/zinc/39/02/47/859390247.db2.gz LWXKAKYTTRLQFO-NRFANRHFSA-N 0 0 400.473 4.378 20 30 HIEDRN CC(C)N(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432878279 859403579 /nfs/dbraw/zinc/40/35/79/859403579.db2.gz HPPRCWKHZGOJBX-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN CCCOc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000432899971 859417370 /nfs/dbraw/zinc/41/73/70/859417370.db2.gz AJBWCUMPVBFWTR-MRXNPFEDSA-N 0 0 400.866 4.081 20 30 HIEDRN C=CCNc1ncc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)s1 ZINC000432939290 859439103 /nfs/dbraw/zinc/43/91/03/859439103.db2.gz SDJPPDGSYZVFPR-UHFFFAOYSA-N 0 0 404.495 4.752 20 30 HIEDRN CCc1nnc(N2CCC(Nc3cccc(Br)c3)CC2)c(C#N)c1CC ZINC000432942370 859440311 /nfs/dbraw/zinc/44/03/11/859440311.db2.gz AJRJKBBRNSCADN-UHFFFAOYSA-N 0 0 414.351 4.316 20 30 HIEDRN O=S(=O)(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(CC(F)(F)F)cc1 ZINC000432968546 859454476 /nfs/dbraw/zinc/45/44/76/859454476.db2.gz ZZPIAAWHNUCXBD-AWEZNQCLSA-N 0 0 415.330 4.354 20 30 HIEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000432987435 859464948 /nfs/dbraw/zinc/46/49/48/859464948.db2.gz YYHDJZYQBTWLFA-JTQLQIEISA-N 0 0 410.261 4.084 20 30 HIEDRN CCOC(=O)c1sc2nc(CN[C@H](CCCC#N)c3ccccc3)nc(N)c2c1C ZINC000433022895 859484632 /nfs/dbraw/zinc/48/46/32/859484632.db2.gz YAXVGXOEFKCCOO-MRXNPFEDSA-N 0 0 423.542 4.283 20 30 HIEDRN COc1ccc(NC(=O)c2nnc(CN[C@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433028975 859488449 /nfs/dbraw/zinc/48/84/49/859488449.db2.gz QSQOPTMMCXAXKM-LJQANCHMSA-N 0 0 421.526 4.324 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CO)(c2ccccc2)CC1 ZINC000433078572 859513041 /nfs/dbraw/zinc/51/30/41/859513041.db2.gz SIOVLUTWLVZMMF-LJQANCHMSA-N 0 0 423.582 4.045 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CO)(c2ccccc2)CC1 ZINC000433078570 859513689 /nfs/dbraw/zinc/51/36/89/859513689.db2.gz SIOVLUTWLVZMMF-IBGZPJMESA-N 0 0 423.582 4.045 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1Cl ZINC000433083032 859516040 /nfs/dbraw/zinc/51/60/40/859516040.db2.gz MJSDHKOOURFGAH-UHFFFAOYSA-N 0 0 416.828 4.436 20 30 HIEDRN N#C[C@H](C(=O)c1ccc2c(ccn2Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000433117835 859528142 /nfs/dbraw/zinc/52/81/42/859528142.db2.gz VKKCLOUGZFLWAT-OAQYLSRUSA-N 0 0 409.493 4.498 20 30 HIEDRN CC1(C)CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H](C(F)(F)F)O1 ZINC000433133784 859534239 /nfs/dbraw/zinc/53/42/39/859534239.db2.gz PGSOPJJAKVDYNM-SFHVURJKSA-N 0 0 403.404 4.055 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000433141980 859537686 /nfs/dbraw/zinc/53/76/86/859537686.db2.gz RBALXASSJNYCRW-OAQYLSRUSA-N 0 0 400.457 4.021 20 30 HIEDRN CC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000433213063 859569191 /nfs/dbraw/zinc/56/91/91/859569191.db2.gz BQBJSDHBBDZUMX-PSASIEDQSA-N 0 0 410.261 4.130 20 30 HIEDRN CC(C)CC(=O)Nc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433313609 859634247 /nfs/dbraw/zinc/63/42/47/859634247.db2.gz RDABUTPWLCIJOR-UHFFFAOYSA-N 0 0 402.502 4.455 20 30 HIEDRN N#CCCn1cc(CNc2cccc(NC(=O)c3ccoc3)c2)c(-c2ccncc2)n1 ZINC000433318101 859636854 /nfs/dbraw/zinc/63/68/54/859636854.db2.gz NNOPGQPIDZUZOB-UHFFFAOYSA-N 0 0 412.453 4.316 20 30 HIEDRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2C)c1 ZINC000433326359 859644169 /nfs/dbraw/zinc/64/41/69/859644169.db2.gz KXVGUTZHQXUSHN-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000433362566 859660528 /nfs/dbraw/zinc/66/05/28/859660528.db2.gz PDXHMGNBGZKTOU-SFHVURJKSA-N 0 0 402.454 4.237 20 30 HIEDRN Cn1c(COc2ccccc2)nnc1SCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000433374468 859663493 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HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000438659807 864105850 /nfs/dbraw/zinc/10/58/50/864105850.db2.gz FEEHXQWAVRSUND-UHFFFAOYSA-N 0 0 413.433 4.493 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2C)c1 ZINC000438660060 864109339 /nfs/dbraw/zinc/10/93/39/864109339.db2.gz GXJQNXDXQHNSTF-UHFFFAOYSA-N 0 0 408.376 4.078 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)c1 ZINC000438666261 864119175 /nfs/dbraw/zinc/11/91/75/864119175.db2.gz HGVGATMKZSNERJ-UHFFFAOYSA-N 0 0 419.437 4.025 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1F ZINC000438670580 864130324 /nfs/dbraw/zinc/13/03/24/864130324.db2.gz WRPFBKDIQOSXKI-YJBOKZPZSA-N 0 0 423.366 4.409 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN[C@H](C(=O)Nc3ccccc3)c3ccccc3)o2)c1 ZINC000438671837 864132872 /nfs/dbraw/zinc/13/28/72/864132872.db2.gz OOJWCIYRZOQZFR-QFIPXVFZSA-N 0 0 409.449 4.078 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 ZINC000438806657 864297488 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N#Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2cccc(C#N)c2)cc1 ZINC000439060537 864511613 /nfs/dbraw/zinc/51/16/13/864511613.db2.gz YXCAZXVXRHMGSH-UHFFFAOYSA-N 0 0 422.469 4.104 20 30 HIEDRN N#Cc1cccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000439065634 864516938 /nfs/dbraw/zinc/51/69/38/864516938.db2.gz PBFDHUCPGGJLPZ-UHFFFAOYSA-N 0 0 411.490 4.235 20 30 HIEDRN CCN(CCC#N)C(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000439139668 864572281 /nfs/dbraw/zinc/57/22/81/864572281.db2.gz YMWVPVDOPRLOEQ-UHFFFAOYSA-N 0 0 419.403 4.099 20 30 HIEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000439205025 864629612 /nfs/dbraw/zinc/62/96/12/864629612.db2.gz SGMAIBPPUOJNMT-FQEVSTJZSA-N 0 0 406.511 4.173 20 30 HIEDRN COC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C[C@@H](C)O1 ZINC000439221479 864639103 /nfs/dbraw/zinc/63/91/03/864639103.db2.gz HRXCEZRHBOEZDZ-RDTXWAMCSA-N 0 0 415.877 4.272 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1Cl ZINC000467917234 881786779 /nfs/dbraw/zinc/78/67/79/881786779.db2.gz CNHPLCACDOALDV-PKOBYXMFSA-N 0 0 405.889 4.398 20 30 HIEDRN CCCc1c(NC(=O)Nc2cccc(C(=O)OC)c2)cnn1-c1cccc(C#N)c1 ZINC000439225313 864642241 /nfs/dbraw/zinc/64/22/41/864642241.db2.gz NTKFJSASXAZILY-UHFFFAOYSA-N 0 0 403.442 4.127 20 30 HIEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1C ZINC000467921403 881793934 /nfs/dbraw/zinc/79/39/34/881793934.db2.gz XEANJJGSVVWFHQ-LZGLPUDESA-N 0 0 414.509 4.222 20 30 HIEDRN N#CCC[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1 ZINC000439307610 864735346 /nfs/dbraw/zinc/73/53/46/864735346.db2.gz XTCHDZHAGLEKIC-GOSISDBHSA-N 0 0 421.526 4.299 20 30 HIEDRN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439314715 864750076 /nfs/dbraw/zinc/75/00/76/864750076.db2.gz KKYIVQHHLBMFHK-UHFFFAOYSA-N 0 0 421.403 4.301 20 30 HIEDRN CCc1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000439316507 864752291 /nfs/dbraw/zinc/75/22/91/864752291.db2.gz KWTRMYANLNVHLS-UHFFFAOYSA-N 0 0 417.440 4.416 20 30 HIEDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000439330885 864767595 /nfs/dbraw/zinc/76/75/95/864767595.db2.gz RPLDGDRIRLURRG-AWEZNQCLSA-N 0 0 415.877 4.230 20 30 HIEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000439332641 864770193 /nfs/dbraw/zinc/77/01/93/864770193.db2.gz UAOIYCFBEVYNRR-CYBMUJFWSA-N 0 0 405.376 4.197 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000439338630 864776201 /nfs/dbraw/zinc/77/62/01/864776201.db2.gz DCVQXHRUINRWGX-UHFFFAOYSA-N 0 0 403.276 4.290 20 30 HIEDRN Cc1cc(N2CCC(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)n[nH]1 ZINC000439339550 864778106 /nfs/dbraw/zinc/77/81/06/864778106.db2.gz IPZLHUVDRCWFAX-UHFFFAOYSA-N 0 0 416.485 4.173 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ncnn2-c2ccccc2)cc1 ZINC000467927051 881801269 /nfs/dbraw/zinc/80/12/69/881801269.db2.gz NKNIBIVSZXMNMS-UHFFFAOYSA-N 0 0 409.449 4.170 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000439346428 864785782 /nfs/dbraw/zinc/78/57/82/864785782.db2.gz ICEXFTQMCDPHKZ-UHFFFAOYSA-N 0 0 423.494 4.254 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1F ZINC000467929690 881803773 /nfs/dbraw/zinc/80/37/73/881803773.db2.gz LLPVPDDGKMIHRM-HNNXBMFYSA-N 0 0 421.432 4.751 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 ZINC000439358303 864800284 /nfs/dbraw/zinc/80/02/84/864800284.db2.gz NJXMVKREHJYMRT-UHFFFAOYSA-N 0 0 419.359 4.379 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(Br)c2C)c1 ZINC000439358272 864800623 /nfs/dbraw/zinc/80/06/23/864800623.db2.gz WUJMTGRVWJNGDF-UHFFFAOYSA-N 0 0 403.276 4.290 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@H](CO)CC2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439369968 864805455 /nfs/dbraw/zinc/80/54/55/864805455.db2.gz HWYFJPGMEJUPFF-IBGZPJMESA-N 0 0 409.534 4.007 20 30 HIEDRN COc1cccc(C2(F)CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)c1 ZINC000439375129 864808615 /nfs/dbraw/zinc/80/86/15/864808615.db2.gz XFUVIMNOTQKDSW-UHFFFAOYSA-N 0 0 412.465 4.265 20 30 HIEDRN N#Cc1cccc(CCNC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC000439384415 864812711 /nfs/dbraw/zinc/81/27/11/864812711.db2.gz SZYQMZQQBRQEKU-INIZCTEOSA-N 0 0 413.346 4.305 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc(-n4cccn4)cc3)c2)cc1 ZINC000439387435 864813759 /nfs/dbraw/zinc/81/37/59/864813759.db2.gz ORMIILGNACFMJY-UHFFFAOYSA-N 0 0 423.432 4.113 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccccc1 ZINC000439420565 864826155 /nfs/dbraw/zinc/82/61/55/864826155.db2.gz IVQHFHUYCIBJRO-NRFANRHFSA-N 0 0 423.476 4.125 20 30 HIEDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439432779 864830164 /nfs/dbraw/zinc/83/01/64/864830164.db2.gz VVCHSHXRTUCIOH-HXUWFJFHSA-N 0 0 415.497 4.231 20 30 HIEDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439441396 864832780 /nfs/dbraw/zinc/83/27/80/864832780.db2.gz JMUZVWRNOZZIMG-AWEZNQCLSA-N 0 0 413.934 4.202 20 30 HIEDRN Cc1coc(-c2cc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)ccc2C)n1 ZINC000439448698 864835841 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HIEDRN Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 ZINC000441688954 866805920 /nfs/dbraw/zinc/80/59/20/866805920.db2.gz HYYMKWACQSQRPU-CQSZACIVSA-N 0 0 403.404 4.352 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1C(F)(F)F ZINC000441690884 866807113 /nfs/dbraw/zinc/80/71/13/866807113.db2.gz QFUDOVCPZLTPNP-SFHVURJKSA-N 0 0 416.403 4.054 20 30 HIEDRN C[C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000441691782 866807856 /nfs/dbraw/zinc/80/78/56/866807856.db2.gz KNTNLPPOSSSTEY-JKSUJKDBSA-N 0 0 409.461 4.371 20 30 HIEDRN CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC000441706664 866814436 /nfs/dbraw/zinc/81/44/36/866814436.db2.gz KVDOADIELUMULI-OAHLLOKOSA-N 0 0 409.433 4.481 20 30 HIEDRN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000441735231 866826604 /nfs/dbraw/zinc/82/66/04/866826604.db2.gz HQFZPUHQPKAPDL-BEFAXECRSA-N 0 0 409.461 4.465 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)NCCSCc2cccc3ccccc32)c1C#N ZINC000441739834 866829594 /nfs/dbraw/zinc/82/95/94/866829594.db2.gz RUKYMQVBKQOFDB-UHFFFAOYSA-N 0 0 403.507 4.008 20 30 HIEDRN CC1(C)CCc2ccccc2[C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000441763142 866841268 /nfs/dbraw/zinc/84/12/68/866841268.db2.gz JIPJOANPQOYGMR-FQEVSTJZSA-N 0 0 400.486 4.364 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(OCc3noc(-c4ccccc4C)n3)c2c1 ZINC000441816280 866877943 /nfs/dbraw/zinc/87/79/43/866877943.db2.gz BOOMFUXSNRQANV-UHFFFAOYSA-N 0 0 402.410 4.061 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)NCc2ccccc2Sc2ccccc2)c1C#N ZINC000441837622 866896519 /nfs/dbraw/zinc/89/65/19/866896519.db2.gz JNCUWZAXQUYHAY-UHFFFAOYSA-N 0 0 401.491 4.273 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1C(F)(F)F ZINC000441842488 866901072 /nfs/dbraw/zinc/90/10/72/866901072.db2.gz TYLIHJUFAUKAKM-SFHVURJKSA-N 0 0 401.388 4.173 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000441869669 866935015 /nfs/dbraw/zinc/93/50/15/866935015.db2.gz XSNPVISQEDWCTK-UHFFFAOYSA-N 0 0 408.429 4.407 20 30 HIEDRN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000441905769 866970313 /nfs/dbraw/zinc/97/03/13/866970313.db2.gz QZBREDOPAOJJBZ-GOSISDBHSA-N 0 0 401.388 4.092 20 30 HIEDRN C[C@H](C#N)CN(C(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)C1CC1 ZINC000441908788 866973213 /nfs/dbraw/zinc/97/32/13/866973213.db2.gz KFUUTQAYFBTFPN-SNVBAGLBSA-N 0 0 419.856 4.084 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CCCC2)c(Cl)c1 ZINC000441977453 867038988 /nfs/dbraw/zinc/03/89/88/867038988.db2.gz VZSWPFNTQCVTHU-UHFFFAOYSA-N 0 0 413.880 4.303 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccnn1CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000442028028 867073925 /nfs/dbraw/zinc/07/39/25/867073925.db2.gz IOMKQEIDSULYEH-KRWDZBQOSA-N 0 0 422.451 4.320 20 30 HIEDRN Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(C)c1 ZINC000442065038 867096492 /nfs/dbraw/zinc/09/64/92/867096492.db2.gz YJHPSGXDOOQXSK-UHFFFAOYSA-N 0 0 420.391 4.142 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1 ZINC000442072170 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407.518 4.003 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3C[C@H]3Cc3ccccc3)c2)cc1 ZINC000442148966 867169451 /nfs/dbraw/zinc/16/94/51/867169451.db2.gz AWHYJQRKKAAQSJ-XXBNENTESA-N 0 0 411.461 4.036 20 30 HIEDRN N#Cc1cc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)ccc1OC(F)(F)F ZINC000442180591 867203358 /nfs/dbraw/zinc/20/33/58/867203358.db2.gz GWLGTAZSNUYZLL-CQSZACIVSA-N 0 0 405.376 4.390 20 30 HIEDRN C=CCCN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000468183037 882058128 /nfs/dbraw/zinc/05/81/28/882058128.db2.gz MELNPWUAOUDDMW-UHFFFAOYSA-N 0 0 416.934 4.366 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(N2CCNC2=O)ccc1F ZINC000468189290 882065000 /nfs/dbraw/zinc/06/50/00/882065000.db2.gz NXDLNLNHPNRSRW-UHFFFAOYSA-N 0 0 400.413 4.146 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC(n3cc(Cl)cn3)CC2)ccc1OC(F)(F)F ZINC000442199223 867221689 /nfs/dbraw/zinc/22/16/89/867221689.db2.gz IAVXPSSTWHBAQD-UHFFFAOYSA-N 0 0 413.787 4.176 20 30 HIEDRN COc1cc(CN(C)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc(OC)c1 ZINC000442202731 867224450 /nfs/dbraw/zinc/22/44/50/867224450.db2.gz TWUMCMCANCRKLD-UHFFFAOYSA-N 0 0 409.364 4.138 20 30 HIEDRN CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442202293 867224899 /nfs/dbraw/zinc/22/48/99/867224899.db2.gz QWYMDRBMPDYPOV-UHFFFAOYSA-N 0 0 401.385 4.042 20 30 HIEDRN Cc1cccc2oc(CCNC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)nc21 ZINC000442214245 867237204 /nfs/dbraw/zinc/23/72/04/867237204.db2.gz KVEBEPYVOPMORE-UHFFFAOYSA-N 0 0 404.348 4.271 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1cc(CCOC)nn1C)c1ccc(C(F)(F)F)cc1 ZINC000442227268 867257029 /nfs/dbraw/zinc/25/70/29/867257029.db2.gz SHUAYTPLMUDVCL-KRWDZBQOSA-N 0 0 410.440 4.457 20 30 HIEDRN CC1(C)[C@@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)c(Cl)c3)C[C@@H]21 ZINC000442265103 867295937 /nfs/dbraw/zinc/29/59/37/867295937.db2.gz KBQFKHDWGDWALU-CALCHBBNSA-N 0 0 409.873 4.057 20 30 HIEDRN CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000442268542 867297939 /nfs/dbraw/zinc/29/79/39/867297939.db2.gz LZAQZOZBTMYCSH-YLJYHZDGSA-N 0 0 405.498 4.060 20 30 HIEDRN CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000442306550 867316624 /nfs/dbraw/zinc/31/66/24/867316624.db2.gz LMJHAKIBYBOHKQ-UHFFFAOYSA-N 0 0 403.526 4.286 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000442360760 867346682 /nfs/dbraw/zinc/34/66/82/867346682.db2.gz MYECOLQSASSFGP-UHFFFAOYSA-N 0 0 405.454 4.103 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc2)cc1 ZINC000442387148 867373792 /nfs/dbraw/zinc/37/37/92/867373792.db2.gz SQFDUIZWYPRZGC-WSTZPKSXSA-N 0 0 403.482 4.374 20 30 HIEDRN C=CCN(C(=O)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)C1CC1 ZINC000442406060 867383130 /nfs/dbraw/zinc/38/31/30/867383130.db2.gz WCEXPDUWQAHGMN-UHFFFAOYSA-N 0 0 411.889 4.016 20 30 HIEDRN Cc1sc(Br)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1C ZINC000442416749 867389398 /nfs/dbraw/zinc/38/93/98/867389398.db2.gz HWOZKUGBOVVGRT-INIZCTEOSA-N 0 0 418.360 4.150 20 30 HIEDRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000442416051 867389415 /nfs/dbraw/zinc/38/94/15/867389415.db2.gz VAYNTGUSXLLQAI-KKSFZXQISA-N 0 0 409.461 4.056 20 30 HIEDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000442474161 867456489 /nfs/dbraw/zinc/45/64/89/867456489.db2.gz ZOYVQRQXFJVQHY-ZWKOTPCHSA-N 0 0 409.555 4.241 20 30 HIEDRN Cc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 ZINC000442477571 867460953 /nfs/dbraw/zinc/46/09/53/867460953.db2.gz VQXMQXUPMGRHLX-MRXNPFEDSA-N 0 0 417.465 4.328 20 30 HIEDRN Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000442488739 867471389 /nfs/dbraw/zinc/47/13/89/867471389.db2.gz XGEOLZDXNSYLAH-UHFFFAOYSA-N 0 0 407.514 4.052 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000442541474 867517348 /nfs/dbraw/zinc/51/73/48/867517348.db2.gz RYYYEIBUMDPGHM-RDBSUJKOSA-N 0 0 413.465 4.209 20 30 HIEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)Cc1cccs1 ZINC000442546006 867521036 /nfs/dbraw/zinc/52/10/36/867521036.db2.gz WFOAZWQMBNVCKG-INIZCTEOSA-N 0 0 419.506 4.346 20 30 HIEDRN COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000442553780 867528338 /nfs/dbraw/zinc/52/83/38/867528338.db2.gz ULROKNUAVKBSLG-QGZVFWFLSA-N 0 0 413.477 4.392 20 30 HIEDRN Cc1csc([C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C2CC2)n1 ZINC000442560593 867532462 /nfs/dbraw/zinc/53/24/62/867532462.db2.gz XKILZGHYHCXXAL-GUYCJALGSA-N 0 0 414.556 4.052 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000442623613 867564651 /nfs/dbraw/zinc/56/46/51/867564651.db2.gz CTMUXONUINYUQF-SIKLNZKXSA-N 0 0 419.525 4.019 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000442672060 867606697 /nfs/dbraw/zinc/60/66/97/867606697.db2.gz MOCMQORYIKKUEP-OAHLLOKOSA-N 0 0 422.897 4.483 20 30 HIEDRN C=CCc1cc(-c2nc(-c3ccc(OCC(F)F)cn3)no2)cc(OC)c1OC ZINC000442691307 867625117 /nfs/dbraw/zinc/62/51/17/867625117.db2.gz UKLAPOGMNWBWIN-UHFFFAOYSA-N 0 0 403.385 4.188 20 30 HIEDRN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Br)s1 ZINC000442730129 867652210 /nfs/dbraw/zinc/65/22/10/867652210.db2.gz CXKLTQILNOVFFB-MRVPVSSYSA-N 0 0 405.726 4.075 20 30 HIEDRN Cc1cc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1-n1cncn1 ZINC000442876148 867709505 /nfs/dbraw/zinc/70/95/05/867709505.db2.gz UTLXPGSVQZEBPX-SFHVURJKSA-N 0 0 410.462 4.061 20 30 HIEDRN COc1ccc(-n2c(S[C@@H](C)c3cccc(C#N)c3)nnc2-c2cnccn2)cc1 ZINC000442900183 867730982 /nfs/dbraw/zinc/73/09/82/867730982.db2.gz LWGCFTRRTMDUAK-HNNXBMFYSA-N 0 0 414.494 4.458 20 30 HIEDRN C=CCn1c(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)nnc1-c1cccs1 ZINC000442906721 867733163 /nfs/dbraw/zinc/73/31/63/867733163.db2.gz WPIOZRTUUSLHID-CYBMUJFWSA-N 0 0 405.570 4.449 20 30 HIEDRN Cc1nc(C#N)c(C#N)n1CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC000442909154 867734188 /nfs/dbraw/zinc/73/41/88/867734188.db2.gz TVXRWKGWHBDINZ-UHFFFAOYSA-N 0 0 405.845 4.328 20 30 HIEDRN CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442926195 867743509 /nfs/dbraw/zinc/74/35/09/867743509.db2.gz VGTTXAHUSYPNGT-UHFFFAOYSA-N 0 0 408.405 4.407 20 30 HIEDRN Cc1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1C(=O)N1CCCC1 ZINC000468232083 882122512 /nfs/dbraw/zinc/12/25/12/882122512.db2.gz WVQUAZZSWNANMI-UHFFFAOYSA-N 0 0 400.438 4.010 20 30 HIEDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000442954305 867762701 /nfs/dbraw/zinc/76/27/01/867762701.db2.gz RBENONFWJVIBOA-INIZCTEOSA-N 0 0 401.260 4.012 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000443017441 867794493 /nfs/dbraw/zinc/79/44/93/867794493.db2.gz LPNAWGATUXHLJT-IBGZPJMESA-N 0 0 417.412 4.040 20 30 HIEDRN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000443033380 867797746 /nfs/dbraw/zinc/79/77/46/867797746.db2.gz NWYWJRKQKBGXER-UHFFFAOYSA-N 0 0 401.470 4.035 20 30 HIEDRN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000443095505 867817904 /nfs/dbraw/zinc/81/79/04/867817904.db2.gz RHSOWYAFQQCTII-UHFFFAOYSA-N 0 0 401.507 4.263 20 30 HIEDRN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(F)cc3C#N)cc2)cs1 ZINC000443093349 867818237 /nfs/dbraw/zinc/81/82/37/867818237.db2.gz IMUYCNKTKJINRE-LBPRGKRZSA-N 0 0 401.488 4.169 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000443099890 867819167 /nfs/dbraw/zinc/81/91/67/867819167.db2.gz GUJQQAHXMIMUMO-UHFFFAOYSA-N 0 0 417.849 4.017 20 30 HIEDRN C=CC[C@@H](C)NC(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000443194745 867869365 /nfs/dbraw/zinc/86/93/65/867869365.db2.gz ZFHDTKMVPUEZOC-ZBFHGGJFSA-N 0 0 411.340 4.113 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCc2ccc3[nH]ccc3c2)cc1 ZINC000443273955 867887236 /nfs/dbraw/zinc/88/72/36/867887236.db2.gz PEMZTTSOCFDDDI-UHFFFAOYSA-N 0 0 424.460 4.129 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccco2)ccc1OC(F)(F)F ZINC000443293062 867893008 /nfs/dbraw/zinc/89/30/08/867893008.db2.gz WPWRIBWDSSCUSP-HNNXBMFYSA-N 0 0 421.375 4.132 20 30 HIEDRN CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000443306847 867897948 /nfs/dbraw/zinc/89/79/48/867897948.db2.gz BLJSRCGZYOTMMX-UHFFFAOYSA-N 0 0 421.375 4.213 20 30 HIEDRN CCc1ccc(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1CC ZINC000443326371 867906227 /nfs/dbraw/zinc/90/62/27/867906227.db2.gz BKCJZLUPPZTPBG-UHFFFAOYSA-N 0 0 405.376 4.159 20 30 HIEDRN N#CC1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000443334652 867910764 /nfs/dbraw/zinc/91/07/64/867910764.db2.gz TTWINXPWRQBIQO-UHFFFAOYSA-N 0 0 403.910 4.046 20 30 HIEDRN COc1cccc(C[C@H](O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c1 ZINC000443345965 867916107 /nfs/dbraw/zinc/91/61/07/867916107.db2.gz TZLHLHZGANRNCJ-QHCPKHFHSA-N 0 0 402.450 4.210 20 30 HIEDRN Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1C#N ZINC000443347850 867918150 /nfs/dbraw/zinc/91/81/50/867918150.db2.gz SKCFOANHSWEBQG-GOSISDBHSA-N 0 0 422.554 4.366 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1C#N ZINC000443357163 867923942 /nfs/dbraw/zinc/92/39/42/867923942.db2.gz YPWGOPGFXUEEAK-OAQYLSRUSA-N 0 0 413.449 4.032 20 30 HIEDRN Cn1ncc(NC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1C(F)(F)F ZINC000443393335 867951938 /nfs/dbraw/zinc/95/19/38/867951938.db2.gz XEFKWLFHMDZORH-UHFFFAOYSA-N 0 0 424.320 4.450 20 30 HIEDRN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1-c1ncco1 ZINC000443414671 868001065 /nfs/dbraw/zinc/00/10/65/868001065.db2.gz GGLIJZVSJZJSKI-UHFFFAOYSA-N 0 0 407.373 4.341 20 30 HIEDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000468242943 882143600 /nfs/dbraw/zinc/14/36/00/882143600.db2.gz FODWLUZVOOBPLF-HXUWFJFHSA-N 0 0 403.438 4.208 20 30 HIEDRN COc1ccc([C@@H](NCC(=O)Nc2ccc(CC#N)cc2)c2ccccc2OC)cc1 ZINC000443451141 868038694 /nfs/dbraw/zinc/03/86/94/868038694.db2.gz FCZHHHWHSFGFDP-RUZDIDTESA-N 0 0 415.493 4.088 20 30 HIEDRN CCOc1ccc([C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2cccc(Cl)c2)cc1 ZINC000443456265 868044874 /nfs/dbraw/zinc/04/48/74/868044874.db2.gz SXWRDVSZHPPSDV-GOTSBHOMSA-N 0 0 413.949 4.472 20 30 HIEDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443470273 868057759 /nfs/dbraw/zinc/05/77/59/868057759.db2.gz UTSABJJPUXWHCV-DOMZBBRYSA-N 0 0 423.307 4.027 20 30 HIEDRN COc1ccc([C@H](NCC(=O)N(C)C2(C#N)CCCCC2)c2ccccc2OC)cc1 ZINC000443470550 868057963 /nfs/dbraw/zinc/05/79/63/868057963.db2.gz VYQOYJOHOUDCLI-DEOSSOPVSA-N 0 0 421.541 4.068 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000443468833 868058133 /nfs/dbraw/zinc/05/81/33/868058133.db2.gz POFYEWLCAXBHTO-HNNXBMFYSA-N 0 0 423.904 4.496 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H](c2ccco2)C1 ZINC000443481778 868065766 /nfs/dbraw/zinc/06/57/66/868065766.db2.gz HFTYKWVGUFEGNB-LRDDRELGSA-N 0 0 409.305 4.076 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443534466 868093408 /nfs/dbraw/zinc/09/34/08/868093408.db2.gz TXSWUKUIFVWTMK-OAHLLOKOSA-N 0 0 411.346 4.080 20 30 HIEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000443547166 868103826 /nfs/dbraw/zinc/10/38/26/868103826.db2.gz AAXQWJNISAVXSO-UHFFFAOYSA-N 0 0 421.254 4.042 20 30 HIEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000443551440 868105795 /nfs/dbraw/zinc/10/57/95/868105795.db2.gz RVDWTHFGZHNIRI-UHFFFAOYSA-N 0 0 421.671 4.176 20 30 HIEDRN N#Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F ZINC000443611420 868175983 /nfs/dbraw/zinc/17/59/83/868175983.db2.gz YDAXSQUWQGPJAA-OAQYLSRUSA-N 0 0 402.429 4.069 20 30 HIEDRN C=CCc1cc(CNC(=O)N(CCCO)[C@H]2CCc3ccccc32)cc(OC)c1OC ZINC000443630158 868205986 /nfs/dbraw/zinc/20/59/86/868205986.db2.gz PEJQVJLMFORQNB-QFIPXVFZSA-N 0 0 424.541 4.014 20 30 HIEDRN CC1(C)CCC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000443663648 868268270 /nfs/dbraw/zinc/26/82/70/868268270.db2.gz ICFGXCGYCFWGGZ-IBGZPJMESA-N 0 0 423.488 4.300 20 30 HIEDRN COc1ccc([C@H](NC(=O)c2ccc(C#N)[nH]2)c2ccccc2)cc1Br ZINC000443664510 868271317 /nfs/dbraw/zinc/27/13/17/868271317.db2.gz DBSXDALHFFSYLP-LJQANCHMSA-N 0 0 410.271 4.177 20 30 HIEDRN Cc1nc(SCC(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c(C#N)c(C)c1C ZINC000443673634 868281344 /nfs/dbraw/zinc/28/13/44/868281344.db2.gz JDAGZZQGXCJYKB-MRXNPFEDSA-N 0 0 413.568 4.296 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000443748172 868322129 /nfs/dbraw/zinc/32/21/29/868322129.db2.gz MPTVXGOFMGCXME-UHFFFAOYSA-N 0 0 403.869 4.476 20 30 HIEDRN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1ccc(C#N)[nH]1 ZINC000443797596 868335756 /nfs/dbraw/zinc/33/57/56/868335756.db2.gz LPQRNCXIBUUOCS-UHFFFAOYSA-N 0 0 412.799 4.048 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000443800403 868337283 /nfs/dbraw/zinc/33/72/83/868337283.db2.gz LTLQTINGOVXZAB-GOSISDBHSA-N 0 0 402.947 4.416 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)CC2)cc1 ZINC000443820474 868352408 /nfs/dbraw/zinc/35/24/08/868352408.db2.gz AJVCPSHSFUCGIZ-AEFFLSMTSA-N 0 0 421.497 4.383 20 30 HIEDRN CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000443824409 868357117 /nfs/dbraw/zinc/35/71/17/868357117.db2.gz KXIDHSKKNROORI-MRXNPFEDSA-N 0 0 420.538 4.407 20 30 HIEDRN Cn1cc(-c2ncccc2NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cn1 ZINC000468264964 882180410 /nfs/dbraw/zinc/18/04/10/882180410.db2.gz AZXCJNNXLDKFCO-UHFFFAOYSA-N 0 0 409.449 4.185 20 30 HIEDRN C=CC[C@H]1N(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CCCC1(C)C ZINC000443856041 868387085 /nfs/dbraw/zinc/38/70/85/868387085.db2.gz GDLUZADSVNUANA-MRXNPFEDSA-N 0 0 423.483 4.286 20 30 HIEDRN COc1ccc([C@H](NC(=O)Nc2cc(C#N)ccc2OC)c2ccccc2OC)cc1 ZINC000443861634 868394404 /nfs/dbraw/zinc/39/44/04/868394404.db2.gz LBKLVGCPPCUPLX-QHCPKHFHSA-N 0 0 417.465 4.495 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)cc1C(F)(F)F ZINC000443878991 868411405 /nfs/dbraw/zinc/41/14/05/868411405.db2.gz MDTBZGNRALJPAA-OAHLLOKOSA-N 0 0 417.416 4.189 20 30 HIEDRN Cc1cc(S(=O)(=O)N(Cc2csc(Br)c2)C2CC2)ccc1C#N ZINC000443883379 868419566 /nfs/dbraw/zinc/41/95/66/868419566.db2.gz YNNHBXPKXDYOQS-UHFFFAOYSA-N 0 0 411.346 4.044 20 30 HIEDRN Cc1cc(S(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)ccc1C#N ZINC000443885039 868420679 /nfs/dbraw/zinc/42/06/79/868420679.db2.gz QAFWSWMKFINBCM-UHFFFAOYSA-N 0 0 403.507 4.282 20 30 HIEDRN CC(=O)N[C@H](CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1c(F)cccc1F ZINC000443885950 868421788 /nfs/dbraw/zinc/42/17/88/868421788.db2.gz RKRVKSGHINZPIB-MRXNPFEDSA-N 0 0 411.330 4.061 20 30 HIEDRN CCOC(=O)CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1ccc(F)cn1 ZINC000443888887 868425736 /nfs/dbraw/zinc/42/57/36/868425736.db2.gz LMHIYTKALBWCOM-UHFFFAOYSA-N 0 0 419.412 4.095 20 30 HIEDRN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1C(F)(F)F ZINC000443892310 868429789 /nfs/dbraw/zinc/42/97/89/868429789.db2.gz TZBUSMATZNFBSU-UHFFFAOYSA-N 0 0 422.363 4.497 20 30 HIEDRN Cn1ccnc1[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc(F)c1 ZINC000443895098 868431480 /nfs/dbraw/zinc/43/14/80/868431480.db2.gz BPHGJVGQDRLQAL-JOCHJYFZSA-N 0 0 415.472 4.337 20 30 HIEDRN Cn1ccnc1[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1F ZINC000443901657 868438446 /nfs/dbraw/zinc/43/84/46/868438446.db2.gz PRJYPPCVUCOKGK-QFIPXVFZSA-N 0 0 415.472 4.337 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000443907383 868444005 /nfs/dbraw/zinc/44/40/05/868444005.db2.gz LHHZXSZXOBLEOI-UHFFFAOYSA-N 0 0 418.516 4.432 20 30 HIEDRN Cc1nc(-c2cccnc2)nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)c1C ZINC000443942066 868477559 /nfs/dbraw/zinc/47/75/59/868477559.db2.gz COIJYWJDPLCWMD-UHFFFAOYSA-N 0 0 404.905 4.007 20 30 HIEDRN C=CC[C@H]1N(S(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)CCCC1(C)C ZINC000443954775 868491115 /nfs/dbraw/zinc/49/11/15/868491115.db2.gz AFAQLEACOHYHHV-CQSZACIVSA-N 0 0 420.909 4.332 20 30 HIEDRN Cc1cc(CNc2cc(-c3ccc(Br)cc3)nn2CCO)ccc1C#N ZINC000443981488 868507286 /nfs/dbraw/zinc/50/72/86/868507286.db2.gz OKEXSHVBHCCDDA-UHFFFAOYSA-N 0 0 411.303 4.097 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000443994131 868516347 /nfs/dbraw/zinc/51/63/47/868516347.db2.gz RQBDAANCSRDXTI-MRXNPFEDSA-N 0 0 405.863 4.036 20 30 HIEDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444027034 868558820 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411.310 4.016 20 30 HIEDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000444208518 868666630 /nfs/dbraw/zinc/66/66/30/868666630.db2.gz AFGNGWCBHSWVDP-PXAZEXFGSA-N 0 0 411.310 4.016 20 30 HIEDRN N#Cc1cccc(-c2csc(NC(=O)c3cn(-c4cccc(Cl)c4)nn3)n2)c1 ZINC000444235186 868684481 /nfs/dbraw/zinc/68/44/81/868684481.db2.gz DZOXYRIJQFZXSZ-UHFFFAOYSA-N 0 0 406.858 4.168 20 30 HIEDRN Cc1cc(C(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1Cc1ccco1 ZINC000444252574 868699929 /nfs/dbraw/zinc/69/99/29/868699929.db2.gz WIGMWNJQIUUMBN-UHFFFAOYSA-N 0 0 417.509 4.344 20 30 HIEDRN N#CCCCn1cc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c2ccccc21 ZINC000444263612 868704698 /nfs/dbraw/zinc/70/46/98/868704698.db2.gz BBZGQVAQQQTVMF-FQEVSTJZSA-N 0 0 418.472 4.010 20 30 HIEDRN COC(=O)[C@H](C)[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1 ZINC000444284377 868714361 /nfs/dbraw/zinc/71/43/61/868714361.db2.gz TTZJTYJHEMDVLY-VGSWGCGISA-N 0 0 403.482 4.225 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 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MGZXRZFRKZWNNL-HSZRJFAPSA-N 0 0 413.525 4.231 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000461296268 874302379 /nfs/dbraw/zinc/30/23/79/874302379.db2.gz FKPFANSLNNWGFO-UHFFFAOYSA-N 0 0 421.888 4.675 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cn1 ZINC000461297122 874302789 /nfs/dbraw/zinc/30/27/89/874302789.db2.gz GOYJFMCZZPXIJV-UHFFFAOYSA-N 0 0 424.395 4.194 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000461298315 874303513 /nfs/dbraw/zinc/30/35/13/874303513.db2.gz DPVMCDYJJMBCSD-UHFFFAOYSA-N 0 0 416.268 4.162 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000461316049 874324028 /nfs/dbraw/zinc/32/40/28/874324028.db2.gz SDOJKTCOJQJRQO-GOTSBHOMSA-N 0 0 402.494 4.311 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)COc1ccccc1Cc1ccccc1 ZINC000461316130 874324287 /nfs/dbraw/zinc/32/42/87/874324287.db2.gz DZZAZPGAVBRDCX-UHFFFAOYSA-N 0 0 423.476 4.056 20 30 HIEDRN CCN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461321273 874330806 /nfs/dbraw/zinc/33/08/06/874330806.db2.gz VFEUQXKOBIHQON-UHFFFAOYSA-N 0 0 420.567 4.452 20 30 HIEDRN CC(C)(C)C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461373264 874377719 /nfs/dbraw/zinc/37/77/19/874377719.db2.gz OWFMCRMLGPZPNA-WOJBJXKFSA-N 0 0 423.561 4.170 20 30 HIEDRN CCc1cnc(N2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)s1 ZINC000461402575 874413749 /nfs/dbraw/zinc/41/37/49/874413749.db2.gz MWIAIUOHZFWLGA-UHFFFAOYSA-N 0 0 402.523 4.207 20 30 HIEDRN CCOc1cc(CNc2cnn(-c3ncccc3C#N)c2)ccc1OCC(F)(F)F ZINC000461419033 874441162 /nfs/dbraw/zinc/44/11/62/874441162.db2.gz MZPDPIGRHXKIDA-UHFFFAOYSA-N 0 0 417.391 4.091 20 30 HIEDRN C=C(C)CN(CC)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCOC1 ZINC000461420152 874443721 /nfs/dbraw/zinc/44/37/21/874443721.db2.gz HGWFITQVWAQISS-QGZVFWFLSA-N 0 0 402.564 4.018 20 30 HIEDRN N#Cc1cnc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c(Cl)c1 ZINC000468723080 882828857 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N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2C[C@H]2CCOC2)cc1 ZINC000461523934 874608096 /nfs/dbraw/zinc/60/80/96/874608096.db2.gz PRGJXJMHFDXVNM-XMSQKQJNSA-N 0 0 417.488 4.334 20 30 HIEDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000468756965 882845251 /nfs/dbraw/zinc/84/52/51/882845251.db2.gz AEOLBCLDSUQSKD-OAQYLSRUSA-N 0 0 417.465 4.043 20 30 HIEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000468766463 882849752 /nfs/dbraw/zinc/84/97/52/882849752.db2.gz BDFMPTWSQPBDNX-UHFFFAOYSA-N 0 0 405.455 4.092 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCOC1 ZINC000461586846 874699568 /nfs/dbraw/zinc/69/95/68/874699568.db2.gz RBUZSAOQEFGUOO-NRFANRHFSA-N 0 0 418.541 4.107 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461597290 874722090 /nfs/dbraw/zinc/72/20/90/874722090.db2.gz KTNRVSIMRIXJDP-IBGZPJMESA-N 0 0 417.488 4.185 20 30 HIEDRN C=CC[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CCCC1(C)C ZINC000461597402 874723520 /nfs/dbraw/zinc/72/35/20/874723520.db2.gz FCINUBROVSZWIP-TZIWHRDSSA-N 0 0 405.546 4.424 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461608541 874748791 /nfs/dbraw/zinc/74/87/91/874748791.db2.gz YKCWDBQBTKMZDL-LJQANCHMSA-N 0 0 417.488 4.185 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC1 ZINC000461613166 874757778 /nfs/dbraw/zinc/75/77/78/874757778.db2.gz HOYURTRBXUQHLV-JOCHJYFZSA-N 0 0 405.546 4.112 20 30 HIEDRN C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461621287 874774141 /nfs/dbraw/zinc/77/41/41/874774141.db2.gz UPFZUXPYQQMNBF-WBVHZDCISA-N 0 0 423.467 4.329 20 30 HIEDRN C[C@@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461621284 874774598 /nfs/dbraw/zinc/77/45/98/874774598.db2.gz UPFZUXPYQQMNBF-DOTOQJQBSA-N 0 0 423.467 4.329 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4ccc(F)cc4C3)n2C[C@H]2CCCCO2)c1 ZINC000461646631 874803832 /nfs/dbraw/zinc/80/38/32/874803832.db2.gz AWZZKHQXXZLCHN-JOCHJYFZSA-N 0 0 417.488 4.088 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CCC[C@@H]3C3CCC3)n2C[C@H]2CCCCO2)cc1 ZINC000461658729 874812331 /nfs/dbraw/zinc/81/23/31/874812331.db2.gz GQSZVLQWHVXATP-FGZHOGPDSA-N 0 0 421.545 4.067 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(I)cc1 ZINC000461659583 874813089 /nfs/dbraw/zinc/81/30/89/874813089.db2.gz GJKPKSWRWAGPDN-UHFFFAOYSA-N 0 0 405.239 4.237 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461673348 874823706 /nfs/dbraw/zinc/82/37/06/874823706.db2.gz VLEJDVNGGKTOBF-FXAWDEMLSA-N 0 0 419.554 4.429 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461675883 874826307 /nfs/dbraw/zinc/82/63/07/874826307.db2.gz ZQPKDELBMPVULB-DOTOQJQBSA-N 0 0 423.467 4.329 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000461695735 874845631 /nfs/dbraw/zinc/84/56/31/874845631.db2.gz HYJGGFLWLUSNGP-UHFFFAOYSA-N 0 0 403.486 4.376 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@H]2CCOC2)c1 ZINC000461700518 874850633 /nfs/dbraw/zinc/85/06/33/874850633.db2.gz MIWZBCIKNQFYFL-QGZVFWFLSA-N 0 0 419.916 4.069 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000461710125 874858844 /nfs/dbraw/zinc/85/88/44/874858844.db2.gz ZUPBUQUPOTTXCO-QZTJIDSGSA-N 0 0 406.530 4.242 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000461714094 874862947 /nfs/dbraw/zinc/86/29/47/874862947.db2.gz HFRNACDLDPXLFE-UHFFFAOYSA-N 0 0 406.486 4.063 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)c3csc(-c4ccc(Cl)s4)n3)C2)cc1 ZINC000461726713 874873506 /nfs/dbraw/zinc/87/35/06/874873506.db2.gz LGDQTGWZOTXNHC-UHFFFAOYSA-N 0 0 401.900 4.300 20 30 HIEDRN C[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 ZINC000461726629 874873824 /nfs/dbraw/zinc/87/38/24/874873824.db2.gz MLKCEKDTVDTMRQ-ZDUSSCGKSA-N 0 0 422.838 4.078 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000461737720 874882963 /nfs/dbraw/zinc/88/29/63/874882963.db2.gz QGCPJCIYMQSZTL-UHFFFAOYSA-N 0 0 402.502 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CCOc1ccccc1[C@H](CC(C)C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462093909 875202784 /nfs/dbraw/zinc/20/27/84/875202784.db2.gz VAOYFCNLEYRJGX-FQEVSTJZSA-N 0 0 418.501 4.447 20 30 HIEDRN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462093656 875203241 /nfs/dbraw/zinc/20/32/41/875203241.db2.gz UFTXOMHCRGIMOL-GOSISDBHSA-N 0 0 420.542 4.448 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000462094667 875203800 /nfs/dbraw/zinc/20/38/00/875203800.db2.gz SKWHCTITNMQHTL-UHFFFAOYSA-N 0 0 414.391 4.586 20 30 HIEDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094318 875204016 /nfs/dbraw/zinc/20/40/16/875204016.db2.gz QOYOJWNCJTXQNJ-NHCUHLMSSA-N 0 0 400.486 4.329 20 30 HIEDRN COc1cccc(-c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)c1 ZINC000462095076 875204338 /nfs/dbraw/zinc/20/43/38/875204338.db2.gz ZKIHKBJXKKAQRE-UHFFFAOYSA-N 0 0 424.464 4.136 20 30 HIEDRN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C2CC2)o1 ZINC000462095744 875205770 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HIEDRN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3nn(C(C)C)cc3C#N)cc12 ZINC000468899768 882950517 /nfs/dbraw/zinc/95/05/17/882950517.db2.gz IPBXAJLAXCIQHV-UHFFFAOYSA-N 0 0 424.917 4.950 20 30 HIEDRN CSc1cccc([C@@H](NS(=O)(=O)CCCCC#N)c2ccc(F)c(F)c2)c1 ZINC000462608760 875720124 /nfs/dbraw/zinc/72/01/24/875720124.db2.gz AWPCUERJPIMZIX-LJQANCHMSA-N 0 0 410.511 4.389 20 30 HIEDRN Cc1cc(I)ccc1NC(=O)COc1c(C)cc(C#N)cc1C ZINC000462639583 875750724 /nfs/dbraw/zinc/75/07/24/875750724.db2.gz LTUIXMCPTWKHRA-UHFFFAOYSA-N 0 0 420.250 4.106 20 30 HIEDRN CCn1cccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)c1=O ZINC000468911082 882966248 /nfs/dbraw/zinc/96/62/48/882966248.db2.gz INEUCOCZZYSAKY-UHFFFAOYSA-N 0 0 407.857 4.116 20 30 HIEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000462779484 875836028 /nfs/dbraw/zinc/83/60/28/875836028.db2.gz UMCFYVGVGXNIMU-UHFFFAOYSA-N 0 0 422.891 4.099 20 30 HIEDRN Cc1cc(C(=O)N(C)CCc2cccc(Br)c2)nn1-c1cccc(C#N)c1 ZINC000462838651 875873414 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407.289 4.292 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)c1 ZINC000463722861 876841702 /nfs/dbraw/zinc/84/17/02/876841702.db2.gz CINIUTQXMIKTQX-QZTJIDSGSA-N 0 0 400.400 4.149 20 30 HIEDRN C=CCN(C(=O)[C@H](C)CCc1cccc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000463747696 876869851 /nfs/dbraw/zinc/86/98/51/876869851.db2.gz QRHFWJJCOPWTJH-MSOLQXFVSA-N 0 0 407.493 4.146 20 30 HIEDRN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000463762216 876885174 /nfs/dbraw/zinc/88/51/74/876885174.db2.gz GDRDDHAFYGTPJY-DPLHUUCSSA-N 0 0 421.516 4.259 20 30 HIEDRN COc1cc(C#N)cc(Br)c1OCc1nnc(-c2ccccc2)s1 ZINC000463766717 876889123 /nfs/dbraw/zinc/88/91/23/876889123.db2.gz VQMWIFJKMMPLSD-UHFFFAOYSA-N 0 0 402.273 4.427 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC000463833081 876951844 /nfs/dbraw/zinc/95/18/44/876951844.db2.gz CVRPRCQDPRWPNS-UHFFFAOYSA-N 0 0 418.522 4.349 20 30 HIEDRN CCCN(CCc1cccs1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000463843479 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C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000463940810 877061032 /nfs/dbraw/zinc/06/10/32/877061032.db2.gz RFUWOPMHBHAENH-SFHVURJKSA-N 0 0 423.532 4.259 20 30 HIEDRN C[C@H](C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000463947229 877067843 /nfs/dbraw/zinc/06/78/43/877067843.db2.gz RVJVXGZPKOALQO-KRWDZBQOSA-N 0 0 404.491 4.274 20 30 HIEDRN CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N ZINC000463951165 877072105 /nfs/dbraw/zinc/07/21/05/877072105.db2.gz OHJBDAHADKAXDJ-LJQANCHMSA-N 0 0 413.930 4.056 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC000463954465 877077322 /nfs/dbraw/zinc/07/73/22/877077322.db2.gz ZATWAUUEKHSTLA-UHFFFAOYSA-N 0 0 409.486 4.049 20 30 HIEDRN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 ZINC000464032957 877168586 /nfs/dbraw/zinc/16/85/86/877168586.db2.gz FCESHYABVRSRGP-MRXNPFEDSA-N 0 0 420.469 4.298 20 30 HIEDRN CCO[C@H](C)c1noc(CN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1 ZINC000464044595 877183558 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HIEDRN CCCNc1ccc(C#N)cc1NC(=O)COc1ccccc1OCC(F)(F)F ZINC000469043826 883114126 /nfs/dbraw/zinc/11/41/26/883114126.db2.gz SGZFCPUURUELSD-UHFFFAOYSA-N 0 0 407.392 4.339 20 30 HIEDRN N#CC1(C(=O)NCC2(c3cccc(Br)c3)CCCCC2)CCOCC1 ZINC000464129886 877287347 /nfs/dbraw/zinc/28/73/47/877287347.db2.gz FCPSTWXDNITLST-UHFFFAOYSA-N 0 0 405.336 4.088 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NCc3cccc(-c4cccnc4)c3)CC2)cc1 ZINC000464142218 877307356 /nfs/dbraw/zinc/30/73/56/877307356.db2.gz OGULXINPYRIRKQ-UHFFFAOYSA-N 0 0 412.493 4.373 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000464143311 877308318 /nfs/dbraw/zinc/30/83/18/877308318.db2.gz VJGQJIOJFRKIPN-UHFFFAOYSA-N 0 0 409.829 4.425 20 30 HIEDRN CC(C)(C)[C@](C)(C#N)NC(=O)CC1(CC(=O)N[C@](C)(C#N)C(C)(C)C)CCCC1 ZINC000464155995 877326138 /nfs/dbraw/zinc/32/61/38/877326138.db2.gz CNIWNPXWHXOPBO-SZPZYZBQSA-N 0 0 402.583 4.216 20 30 HIEDRN Cc1cc(COc2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2Br)on1 ZINC000464160747 877328868 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MAUNNLWZXABTGQ-UHFFFAOYSA-N 0 0 416.865 4.170 20 30 HIEDRN C[C@@H]1CN(Cc2ccc(C(=O)[C@H](C#N)c3cc(C(F)(F)F)ccn3)cc2)C[C@H](C)O1 ZINC000464397440 877598853 /nfs/dbraw/zinc/59/88/53/877598853.db2.gz IKDYDFIPANKJOL-ZRGWGRIASA-N 0 0 417.431 4.200 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H](n4cccn4)Cc4ccccc43)cc2)nc1 ZINC000464407917 877611063 /nfs/dbraw/zinc/61/10/63/877611063.db2.gz ZKATUERCKJCNEB-OAQYLSRUSA-N 0 0 421.460 4.386 20 30 HIEDRN CC[C@@H](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(OC)cc1 ZINC000503271276 912255038 /nfs/dbraw/zinc/25/50/38/912255038.db2.gz VZKUXLUDLQKZJP-IBGZPJMESA-N 0 0 419.525 4.328 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCN(c2ccccc2Cl)C1)c1cccc(Br)c1 ZINC000464409668 877614770 /nfs/dbraw/zinc/61/47/70/877614770.db2.gz VZOXRENEHJHOCZ-YOEHRIQHSA-N 0 0 418.722 4.310 20 30 HIEDRN CSc1nccn1-c1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464413778 877620247 /nfs/dbraw/zinc/62/02/47/877620247.db2.gz XGKMAFBXEWXMNV-HNNXBMFYSA-N 0 0 402.401 4.498 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H](n4cccn4)Cc4ccccc43)o2)cc1 ZINC000464419513 877626910 /nfs/dbraw/zinc/62/69/10/877626910.db2.gz NBZOSIJFXPOGJU-HXUWFJFHSA-N 0 0 424.460 4.371 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1 ZINC000464419892 877628858 /nfs/dbraw/zinc/62/88/58/877628858.db2.gz LMOURFROZOHPRO-OAQYLSRUSA-N 0 0 400.482 4.134 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)o1 ZINC000464422343 877632871 /nfs/dbraw/zinc/63/28/71/877632871.db2.gz VGKGUBPTNVWMPR-HXUWFJFHSA-N 0 0 424.460 4.371 20 30 HIEDRN CN([C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)S(=O)(=O)c1cncc(F)c1 ZINC000464427750 877637998 /nfs/dbraw/zinc/63/79/98/877637998.db2.gz QYGVKYONDKDZIP-ZDUSSCGKSA-N 0 0 416.318 4.164 20 30 HIEDRN COC(=O)[C@](C)(NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000464450514 877667372 /nfs/dbraw/zinc/66/73/72/877667372.db2.gz WQGYHZTYTWQPSD-FKIZINRSSA-N 0 0 405.281 4.173 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2)c1cccc(C#N)c1 ZINC000464455341 877674257 /nfs/dbraw/zinc/67/42/57/877674257.db2.gz LQRCSOKONMDPOO-CQSZACIVSA-N 0 0 401.491 4.477 20 30 HIEDRN N#CC(=C([O-])c1cn2ccc(Br)cc2[nH+]1)c1cc(C(F)(F)F)ccn1 ZINC000464473455 877694509 /nfs/dbraw/zinc/69/45/09/877694509.db2.gz RVHXGCUDDQRDBS-LLVKDONJSA-N 0 0 409.165 4.001 20 30 HIEDRN COCCOCCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000503284567 912266804 /nfs/dbraw/zinc/26/68/04/912266804.db2.gz QJNGXXARXHMANH-LJQANCHMSA-N 0 0 401.894 4.170 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)NC[C@@H]3Cc4ccccc4O3)c2)cc1 ZINC000503284129 912265006 /nfs/dbraw/zinc/26/50/06/912265006.db2.gz GEQFHIAFXGIGMH-QHCPKHFHSA-N 0 0 413.477 4.457 20 30 HIEDRN CC(C)OC(=O)C[C@H]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000464497368 877716409 /nfs/dbraw/zinc/71/64/09/877716409.db2.gz XVGXTUSNWBUERA-ZWKOTPCHSA-N 0 0 417.575 4.073 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(-c2ncccn2)s1 ZINC000503287674 912267910 /nfs/dbraw/zinc/26/79/10/912267910.db2.gz VLOYCZWGVFDXGD-UHFFFAOYSA-N 0 0 414.450 4.220 20 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C=CCc1cc(CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc(OC)c1OC ZINC000470057645 884307268 /nfs/dbraw/zinc/30/72/68/884307268.db2.gz QYRAWQLBAAKHRH-QGZVFWFLSA-N 0 0 416.468 4.410 20 30 HIEDRN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CNc1cccc(C#N)c1 ZINC000503741179 912813459 /nfs/dbraw/zinc/81/34/59/912813459.db2.gz VNJURHFHQQEQAG-UHFFFAOYSA-N 0 0 409.877 4.111 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)CC2)cc1 ZINC000503770793 912820121 /nfs/dbraw/zinc/82/01/21/912820121.db2.gz OCLQNSLRGFNJMZ-UHFFFAOYSA-N 0 0 421.464 4.008 20 30 HIEDRN Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)c2)n1 ZINC000470139218 884404650 /nfs/dbraw/zinc/40/46/50/884404650.db2.gz ZLZHKYCBXMKZBF-FQEVSTJZSA-N 0 0 415.497 4.389 20 30 HIEDRN CC[C@@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000470174333 884456494 /nfs/dbraw/zinc/45/64/94/884456494.db2.gz RYAOQBYKFVZFSF-SFHVURJKSA-N 0 0 400.320 4.483 20 30 HIEDRN CC[C@H](Cc1ccccc1Br)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000470174329 884456698 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HIEDRN COC(=O)[C@](C)(CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccccc1 ZINC000470364177 884759044 /nfs/dbraw/zinc/75/90/44/884759044.db2.gz RSYHQWWZHHOZQG-OPAMFIHVSA-N 0 0 411.527 4.333 20 30 HIEDRN COc1ccc2c(c1)CN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](c1ccccc1)C2 ZINC000470406197 884810170 /nfs/dbraw/zinc/81/01/70/884810170.db2.gz ADHRMXTZPQLGNP-JOCHJYFZSA-N 0 0 415.497 4.445 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000470409752 884814082 /nfs/dbraw/zinc/81/40/82/884814082.db2.gz XMNPNRYTEIXUPU-UHFFFAOYSA-N 0 0 424.394 4.488 20 30 HIEDRN CO[C@@H](CCNC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000470491603 884879350 /nfs/dbraw/zinc/87/93/50/884879350.db2.gz IHOCXSDQNXWGQO-QWRGUYRKSA-N 0 0 424.288 4.158 20 30 HIEDRN Cn1cc2c(n1)CCC[C@@H]2C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000503936882 912872984 /nfs/dbraw/zinc/87/29/84/912872984.db2.gz NBINARHMORCRMX-NRFANRHFSA-N 0 0 402.473 4.080 20 30 HIEDRN COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470528433 884924221 /nfs/dbraw/zinc/92/42/21/884924221.db2.gz AJSCLNDGJMSSMD-OAHLLOKOSA-N 0 0 424.476 4.300 20 30 HIEDRN Cc1cccc(OC[C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470532307 884931822 /nfs/dbraw/zinc/93/18/22/884931822.db2.gz OMMDKRBIFNATMW-SFHVURJKSA-N 0 0 420.513 4.167 20 30 HIEDRN N#CCCN(Cc1ccco1)Cc1ccc(I)cc1Cl ZINC000503947451 912878209 /nfs/dbraw/zinc/87/82/09/912878209.db2.gz LRZVZBMTMYYQFX-UHFFFAOYSA-N 0 0 400.647 4.453 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000470538778 884942997 /nfs/dbraw/zinc/94/29/97/884942997.db2.gz WPKOQTDSSDNOTC-UHFFFAOYSA-N 0 0 418.400 4.172 20 30 HIEDRN Cc1cnn(-c2ccc(NCC(=O)N(CCC#N)c3cccc(C)c3C)cc2F)c1 ZINC000470541451 884946132 /nfs/dbraw/zinc/94/61/32/884946132.db2.gz IKNCMNNGTKTWSW-UHFFFAOYSA-N 0 0 405.477 4.295 20 30 HIEDRN CC(C)(C)OC1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470541634 884946283 /nfs/dbraw/zinc/94/62/83/884946283.db2.gz BWRPQFVQQNTHBR-UHFFFAOYSA-N 0 0 412.534 4.081 20 30 HIEDRN COc1cc(CN(C(=O)CCc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000503951069 912880587 /nfs/dbraw/zinc/88/05/87/912880587.db2.gz NTRXKRNYTRPPGH-UHFFFAOYSA-N 0 0 400.425 4.292 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCc3ccc(Cl)s3)ccc21 ZINC000470550752 884963208 /nfs/dbraw/zinc/96/32/08/884963208.db2.gz ZWQFPFJQDUMAGY-UHFFFAOYSA-N 0 0 402.907 4.306 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(C(=O)NCC(C)C)cc2C)c1 ZINC000470552906 884964489 /nfs/dbraw/zinc/96/44/89/884964489.db2.gz GHJVCXXOWASEBZ-UHFFFAOYSA-N 0 0 420.557 4.356 20 30 HIEDRN C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000470551924 884964607 /nfs/dbraw/zinc/96/46/07/884964607.db2.gz PCGRZXJZIXPFHM-RUZDIDTESA-N 0 0 416.525 4.465 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2cc(NC(=O)C3CC3)ccc2C)c1C ZINC000470554164 884967111 /nfs/dbraw/zinc/96/71/11/884967111.db2.gz WBMKUMNAONEMTR-UHFFFAOYSA-N 0 0 404.514 4.319 20 30 HIEDRN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C12CCC2 ZINC000470553644 884967414 /nfs/dbraw/zinc/96/74/14/884967414.db2.gz PCHIFHPVMICOOA-SFTDATJTSA-N 0 0 424.545 4.081 20 30 HIEDRN CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 ZINC000470554492 884968994 /nfs/dbraw/zinc/96/89/94/884968994.db2.gz ZHSTZTQNIIANMP-IEBWSBKVSA-N 0 0 414.575 4.455 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(Cl)cc2OCC)cc1 ZINC000470554370 884969070 /nfs/dbraw/zinc/96/90/70/884969070.db2.gz ABJIQJOXMVBBSF-UHFFFAOYSA-N 0 0 401.894 4.496 20 30 HIEDRN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470565776 884983513 /nfs/dbraw/zinc/98/35/13/884983513.db2.gz TZTUFEHCYZVGCT-IEBWSBKVSA-N 0 0 400.548 4.065 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCc4c(F)cc(F)cc4C3)ccc21 ZINC000470569211 884986797 /nfs/dbraw/zinc/98/67/97/884986797.db2.gz LKDOHAJXLLOOKZ-UHFFFAOYSA-N 0 0 424.451 4.138 20 30 HIEDRN CC(C)(C)C1CCC(C#N)(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000470587402 885002995 /nfs/dbraw/zinc/00/29/95/885002995.db2.gz LZWYNMLDXBAYTI-UHFFFAOYSA-N 0 0 410.474 4.137 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)cc1 ZINC000470615500 885039661 /nfs/dbraw/zinc/03/96/61/885039661.db2.gz WUVQOJRFSALNIF-AWEZNQCLSA-N 0 0 417.893 4.314 20 30 HIEDRN COC(=O)Cn1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 ZINC000470614678 885040420 /nfs/dbraw/zinc/04/04/20/885040420.db2.gz WJOCESMUMWCTLZ-QGZVFWFLSA-N 0 0 423.860 4.009 20 30 HIEDRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)S(=O)(=O)N(C)CCC#N)c2)cc1 ZINC000470621628 885045852 /nfs/dbraw/zinc/04/58/52/885045852.db2.gz SPBKFTYOEIOQJF-GOSISDBHSA-N 0 0 415.559 4.224 20 30 HIEDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000470622905 885047523 /nfs/dbraw/zinc/04/75/23/885047523.db2.gz HQJIVKGFWTYLIT-GXSJLCMTSA-N 0 0 409.305 4.443 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000470662226 885087722 /nfs/dbraw/zinc/08/77/22/885087722.db2.gz IPXWQVSCHKARDF-VXKWHMMOSA-N 0 0 400.482 4.247 20 30 HIEDRN Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)ccc1C#N ZINC000470697523 885136762 /nfs/dbraw/zinc/13/67/62/885136762.db2.gz RMOJOOLFRXQFNP-UHFFFAOYSA-N 0 0 400.154 4.175 20 30 HIEDRN COCCN(Cc1ccc(C)o1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000470707575 885145206 /nfs/dbraw/zinc/14/52/06/885145206.db2.gz MZTXJSSSAXRABU-UHFFFAOYSA-N 0 0 404.466 4.328 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3Cc4cnnn4Cc4ccccc43)c2)cc1 ZINC000470712793 885150523 /nfs/dbraw/zinc/15/05/23/885150523.db2.gz FCIVGCIELRZCCG-UHFFFAOYSA-N 0 0 407.433 4.151 20 30 HIEDRN C=CCSc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000470712216 885150670 /nfs/dbraw/zinc/15/06/70/885150670.db2.gz VAQCMYSXERRNGG-IBGZPJMESA-N 0 0 416.493 4.164 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000470715085 885155993 /nfs/dbraw/zinc/15/59/93/885155993.db2.gz BREXUZBLNRCMKP-GYVBGXKYSA-N 0 0 417.538 4.199 20 30 HIEDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NCCSCc1ccccc1C#N ZINC000470719223 885161758 /nfs/dbraw/zinc/16/17/58/885161758.db2.gz CRQWNXGSBNFBER-UHFFFAOYSA-N 0 0 414.478 4.108 20 30 HIEDRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCc3ccccc3C(N)=O)sc2C1 ZINC000470746711 885211158 /nfs/dbraw/zinc/21/11/58/885211158.db2.gz OUHLTCRFFFBOIT-OAHLLOKOSA-N 0 0 409.555 4.441 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470788212 885264964 /nfs/dbraw/zinc/26/49/64/885264964.db2.gz FAAZAQNPFUSSMY-UHFFFAOYSA-N 0 0 419.481 4.095 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OC(F)(F)F)ccc21 ZINC000470790419 885268902 /nfs/dbraw/zinc/26/89/02/885268902.db2.gz SSQLAXGVEBPCAD-UHFFFAOYSA-N 0 0 417.387 4.420 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000470804170 885293517 /nfs/dbraw/zinc/29/35/17/885293517.db2.gz RVCQEMOYXAXPLH-JOCHJYFZSA-N 0 0 413.452 4.275 20 30 HIEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cn1 ZINC000470816912 885304147 /nfs/dbraw/zinc/30/41/47/885304147.db2.gz LMVHWTSJPRDNBZ-IBGZPJMESA-N 0 0 412.449 4.384 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000504015018 912920740 /nfs/dbraw/zinc/92/07/40/912920740.db2.gz ZYNHFZGZHBSPGU-AUSIDOKSSA-N 0 0 403.526 4.153 20 30 HIEDRN COc1ccc(-c2cnc(CCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)o2)cc1 ZINC000504014932 912921915 /nfs/dbraw/zinc/92/19/15/912921915.db2.gz YLVSZZWXNXKCCT-UHFFFAOYSA-N 0 0 413.477 4.470 20 30 HIEDRN C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)n[nH]c1=O ZINC000470832927 885323589 /nfs/dbraw/zinc/32/35/89/885323589.db2.gz ROIQSXXGYQTGPT-UHFFFAOYSA-N 0 0 415.544 4.166 20 30 HIEDRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470841029 885335877 /nfs/dbraw/zinc/33/58/77/885335877.db2.gz MOOGZYJYYGLUGY-NRFANRHFSA-N 0 0 408.461 4.440 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000470845479 885340636 /nfs/dbraw/zinc/34/06/36/885340636.db2.gz UIOXEEKMVUXFPH-XMMPIXPASA-N 0 0 409.489 4.178 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000470846375 885342435 /nfs/dbraw/zinc/34/24/35/885342435.db2.gz BSZQCWGLMOQTNX-SFHVURJKSA-N 0 0 401.260 4.050 20 30 HIEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCn3cc([N+](=O)[O-])cn3)n2)o1 ZINC000470848064 885346734 /nfs/dbraw/zinc/34/67/34/885346734.db2.gz JNQSEVAVWZEEAB-UHFFFAOYSA-N 0 0 423.376 4.438 20 30 HIEDRN CCOc1ccc(-c2csc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)cc1 ZINC000470849665 885347891 /nfs/dbraw/zinc/34/78/91/885347891.db2.gz VCXDOGDQNOPITR-SFHVURJKSA-N 0 0 402.479 4.401 20 30 HIEDRN CSc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1[N+](=O)[O-] ZINC000470852853 885350658 /nfs/dbraw/zinc/35/06/58/885350658.db2.gz SWODCACSIXELFF-UHFFFAOYSA-N 0 0 424.482 4.152 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470870584 885358050 /nfs/dbraw/zinc/35/80/50/885358050.db2.gz ZGOQOSHZFRCXNU-AVRDEDQJSA-N 0 0 414.509 4.202 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000504023164 912926247 /nfs/dbraw/zinc/92/62/47/912926247.db2.gz UTYHUIYBRTXTNZ-UHFFFAOYSA-N 0 0 419.294 4.304 20 30 HIEDRN Cc1noc(C)c1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000504024983 912929461 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CCO[C@H](C)c1nc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cs1 ZINC000470994584 885494576 /nfs/dbraw/zinc/49/45/76/885494576.db2.gz GCHVLLKCJQWVCD-DNVCBOLYSA-N 0 0 404.967 4.276 20 30 HIEDRN COc1ccc(-c2nc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)co2)cc1 ZINC000470996520 885495848 /nfs/dbraw/zinc/49/58/48/885495848.db2.gz RVPXJPVWNWIDDA-JOCHJYFZSA-N 0 0 422.916 4.386 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCSc4ccc(Cl)cc43)C2)n1 ZINC000470996552 885496752 /nfs/dbraw/zinc/49/67/52/885496752.db2.gz WLFMRKQVVVSAKJ-MRXNPFEDSA-N 0 0 412.946 4.270 20 30 HIEDRN COC(=O)c1nc([C@@H]2CCCN2Cc2ccc(C#N)cc2OC(F)F)sc1C ZINC000471000733 885501008 /nfs/dbraw/zinc/50/10/08/885501008.db2.gz IWFMNGVORBCYCG-AWEZNQCLSA-N 0 0 407.442 4.048 20 30 HIEDRN Cc1cccc(NC(=O)[C@H](C)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000471005611 885506441 /nfs/dbraw/zinc/50/64/41/885506441.db2.gz HFPMGFLWQWZRDK-PGRDOPGGSA-N 0 0 410.949 4.166 20 30 HIEDRN Cc1cccc(NC(=O)[C@@H](C)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000471005612 885506965 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20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000473249471 888014692 /nfs/dbraw/zinc/01/46/92/888014692.db2.gz MIMPMXJWXYSTTN-UHFFFAOYSA-N 0 0 423.257 4.189 20 30 HIEDRN N#Cc1ccc(CSCC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1 ZINC000473260930 888023798 /nfs/dbraw/zinc/02/37/98/888023798.db2.gz GPKWPEWDQUOWAG-UHFFFAOYSA-N 0 0 405.445 4.308 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000473272604 888030493 /nfs/dbraw/zinc/03/04/93/888030493.db2.gz LLZXBXHWODIBOK-UNMCSNQZSA-N 0 0 404.853 4.392 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000473290357 888043612 /nfs/dbraw/zinc/04/36/12/888043612.db2.gz GIIHWRYDIVUUPS-KRWDZBQOSA-N 0 0 412.493 4.366 20 30 HIEDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000473309909 888057390 /nfs/dbraw/zinc/05/73/90/888057390.db2.gz LTDPXUGNWGXKII-IEBWSBKVSA-N 0 0 415.415 4.251 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1C#N ZINC000473311352 888059005 /nfs/dbraw/zinc/05/90/05/888059005.db2.gz QLZFBJYJYSFSBE-ZDUSSCGKSA-N 0 0 403.404 4.134 20 30 HIEDRN Cc1csc([C@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C2CC2)n1 ZINC000473359922 888082709 /nfs/dbraw/zinc/08/27/09/888082709.db2.gz WSLAXRJNPSZNBT-OAQYLSRUSA-N 0 0 415.518 4.057 20 30 HIEDRN CCC1(CNC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCCC1 ZINC000473362221 888084703 /nfs/dbraw/zinc/08/47/03/888084703.db2.gz OHDRABOREZFBIS-UHFFFAOYSA-N 0 0 419.525 4.357 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1c(F)cccc1F ZINC000473395248 888108907 /nfs/dbraw/zinc/10/89/07/888108907.db2.gz NCHYVZCVDHRNCP-CQSZACIVSA-N 0 0 421.403 4.445 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)o1)c1ccc(C#N)cc1 ZINC000473399603 888115036 /nfs/dbraw/zinc/11/50/36/888115036.db2.gz UIAUWKYTPGAUFY-IYBDPMFKSA-N 0 0 412.449 4.005 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1 ZINC000473413225 888132080 /nfs/dbraw/zinc/13/20/80/888132080.db2.gz JLJOCZJSSUFQLJ-IBGZPJMESA-N 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ZINC000473560423 888299965 /nfs/dbraw/zinc/29/99/65/888299965.db2.gz ITPMWZYTKCAPRI-QGZVFWFLSA-N 0 0 423.822 4.103 20 30 HIEDRN Cn1cc(CCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000473560481 888300186 /nfs/dbraw/zinc/30/01/86/888300186.db2.gz JPGJQZNOSIMSBB-QHCPKHFHSA-N 0 0 420.944 4.173 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1 ZINC000473561881 888300861 /nfs/dbraw/zinc/30/08/61/888300861.db2.gz JSIWMGKRUSDHJA-HXUWFJFHSA-N 0 0 422.941 4.486 20 30 HIEDRN Cc1nc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(-c2ccccc2)o1 ZINC000473560844 888300881 /nfs/dbraw/zinc/30/08/81/888300881.db2.gz LQGGGIMVKRCIKJ-HXUWFJFHSA-N 0 0 420.900 4.326 20 30 HIEDRN C[C@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 ZINC000473564114 888304524 /nfs/dbraw/zinc/30/45/24/888304524.db2.gz SSKDWHXVXAXZOE-VBKZILBWSA-N 0 0 403.860 4.131 20 30 HIEDRN CCOCCC1(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCCC1 ZINC000473568244 888308495 /nfs/dbraw/zinc/30/84/95/888308495.db2.gz KYWKJKITOQLYAY-HXUWFJFHSA-N 0 0 403.954 4.036 20 30 HIEDRN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000473568770 888308871 /nfs/dbraw/zinc/30/88/71/888308871.db2.gz MORNUOPRNWBRKY-OAHLLOKOSA-N 0 0 418.415 4.414 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000473567583 888309199 /nfs/dbraw/zinc/30/91/99/888309199.db2.gz CZBUATJKOWYCJA-JOCHJYFZSA-N 0 0 423.944 4.492 20 30 HIEDRN Cc1[nH]c2ccc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cc2c1C ZINC000473567687 888309320 /nfs/dbraw/zinc/30/93/20/888309320.db2.gz BXODWZUECUPNEW-QFIPXVFZSA-N 0 0 406.917 4.461 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000473569473 888310203 /nfs/dbraw/zinc/31/02/03/888310203.db2.gz IOALDPZXKJXVGF-OAHLLOKOSA-N 0 0 424.751 4.187 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000473569650 888310774 /nfs/dbraw/zinc/31/07/74/888310774.db2.gz IPMOIMUMWJUZIL-GOSISDBHSA-N 0 0 407.823 4.381 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(Cc3ccc(F)cc3)CC2)CC1 ZINC000473574378 888314961 /nfs/dbraw/zinc/31/49/61/888314961.db2.gz KQFRECXHEMYFAW-NRFANRHFSA-N 0 0 411.908 4.211 20 30 HIEDRN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C[C@H]1C ZINC000473639411 888382837 /nfs/dbraw/zinc/38/28/37/888382837.db2.gz PHCYFNYQRPJFIL-DRSNIGMVSA-N 0 0 405.498 4.127 20 30 HIEDRN COc1ccccc1[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)OC(C)C ZINC000473667437 888423992 /nfs/dbraw/zinc/42/39/92/888423992.db2.gz SMDNJJYKUHCDDO-IBGZPJMESA-N 0 0 419.428 4.456 20 30 HIEDRN Cc1cc2occ(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)c2cc1C ZINC000473678604 888443344 /nfs/dbraw/zinc/44/33/44/888443344.db2.gz SQQJSYQLUBYXSE-UHFFFAOYSA-N 0 0 416.437 4.132 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NCC(=O)NCc1ccccc1CN1CCCC1=O ZINC000473679850 888445272 /nfs/dbraw/zinc/44/52/72/888445272.db2.gz HRAMDQWELXGNOS-UHFFFAOYSA-N 0 0 419.569 4.389 20 30 HIEDRN Cn1c2ccccc2nc1C(C)(C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000473682676 888450517 /nfs/dbraw/zinc/45/05/17/888450517.db2.gz ODLZHNFFQYVRGA-UHFFFAOYSA-N 0 0 409.493 4.425 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1 ZINC000473688690 888460004 /nfs/dbraw/zinc/46/00/04/888460004.db2.gz BTUXWWFRGJDXNS-UHFFFAOYSA-N 0 0 400.434 4.449 20 30 HIEDRN N#Cc1ccc(C2(C(=O)Nc3cc(F)c(I)c(F)c3)CC2)cc1 ZINC000473693259 888468203 /nfs/dbraw/zinc/46/82/03/888468203.db2.gz CVJJOBFPMFDSJU-UHFFFAOYSA-N 0 0 424.188 4.111 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000504437418 913248423 /nfs/dbraw/zinc/24/84/23/913248423.db2.gz ZNOULXRRIJAOPI-FQEVSTJZSA-N 0 0 412.331 4.116 20 30 HIEDRN COc1c(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)oc2ccccc21 ZINC000473704469 888480609 /nfs/dbraw/zinc/48/06/09/888480609.db2.gz DGLCXGPCXUVKRK-UHFFFAOYSA-N 0 0 405.454 4.066 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(CCOCc4ccccc4)CC3)C2)c(F)c1 ZINC000473746729 888531085 /nfs/dbraw/zinc/53/10/85/888531085.db2.gz CQNWQQRHUWEMFU-OAQYLSRUSA-N 0 0 421.516 4.169 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCO[C@@H](c3cccs3)C2)ccc1OCC(F)(F)F ZINC000473759245 888551827 /nfs/dbraw/zinc/55/18/27/888551827.db2.gz AGVMQMPWSNGTFY-OAHLLOKOSA-N 0 0 411.405 4.166 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000473782019 888587579 /nfs/dbraw/zinc/58/75/79/888587579.db2.gz DPROXRNZZRVSJQ-XUVXKRRUSA-N 0 0 407.470 4.438 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)cc2F)c1 ZINC000473785545 888594040 /nfs/dbraw/zinc/59/40/40/888594040.db2.gz MNNYOCZDYMOVMM-HMXCVIKNSA-N 0 0 409.461 4.355 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)cc2F)c1 ZINC000473785547 888594614 /nfs/dbraw/zinc/59/46/14/888594614.db2.gz MNNYOCZDYMOVMM-NRSPTQNISA-N 0 0 409.461 4.355 20 30 HIEDRN C=CCn1c(SC[C@H](O)CC2CCCC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000473789542 888603296 /nfs/dbraw/zinc/60/32/96/888603296.db2.gz SGDNIOUXQYMQQA-APWZRJJASA-N 0 0 401.532 4.010 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CC(N)=O)C2CCCCC2)cc1 ZINC000473792247 888608077 /nfs/dbraw/zinc/60/80/77/888608077.db2.gz MGLRKFYQJOPYBS-FQEVSTJZSA-N 0 0 406.486 4.296 20 30 HIEDRN CC(C)(CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000473875850 888739289 /nfs/dbraw/zinc/73/92/89/888739289.db2.gz JMKTUEXSFOXRSJ-OAQYLSRUSA-N 0 0 423.944 4.088 20 30 HIEDRN CC(C)(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000473926714 888805712 /nfs/dbraw/zinc/80/57/12/888805712.db2.gz HFPWWSFUNLVANC-LJQANCHMSA-N 0 0 417.431 4.210 20 30 HIEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000473928220 888807303 /nfs/dbraw/zinc/80/73/03/888807303.db2.gz MXWNYADDTNFMEW-IBGZPJMESA-N 0 0 415.415 4.061 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000473984126 888846875 /nfs/dbraw/zinc/84/68/75/888846875.db2.gz VRBLKXYAVGNNNU-QGZVFWFLSA-N 0 0 424.353 4.131 20 30 HIEDRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)S(=O)(=O)CCCCC#N)c1 ZINC000474057632 888894152 /nfs/dbraw/zinc/89/41/52/888894152.db2.gz XAXIIJOIQNDBFF-SFHVURJKSA-N 0 0 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HIEDRN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000476267721 891189292 /nfs/dbraw/zinc/18/92/92/891189292.db2.gz XXXSPDMSPHBPCZ-KUHUBIRLSA-N 0 0 402.281 4.332 20 30 HIEDRN COc1cc(N[C@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000476346625 891250917 /nfs/dbraw/zinc/25/09/17/891250917.db2.gz JJYPCFGMEZIJDR-IBGZPJMESA-N 0 0 407.514 4.222 20 30 HIEDRN N#CC[C@H](CC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000476356063 891261702 /nfs/dbraw/zinc/26/17/02/891261702.db2.gz SFMHWBGDKMOPHH-FUHWJXTLSA-N 0 0 404.432 4.060 20 30 HIEDRN C[C@@H](c1c(F)cccc1F)N(C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000504824647 913542154 /nfs/dbraw/zinc/54/21/54/913542154.db2.gz DJFVDMIULZSCOE-AWEZNQCLSA-N 0 0 401.432 4.412 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000476412399 891324726 /nfs/dbraw/zinc/32/47/26/891324726.db2.gz IEXIHOHWQUQCOV-UHFFFAOYSA-N 0 0 401.432 4.469 20 30 HIEDRN N#CC[C@@H](CC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)c1ccccc1 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C=CCN(Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000479326887 894616699 /nfs/dbraw/zinc/61/66/99/894616699.db2.gz WFGOFNDLENPSLS-HNNXBMFYSA-N 0 0 407.561 4.045 20 30 HIEDRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(CCC#N)Cc1ccccn1 ZINC000505212422 913886639 /nfs/dbraw/zinc/88/66/39/913886639.db2.gz AYMGFRGBTUGYFF-UHFFFAOYSA-N 0 0 410.481 4.069 20 30 HIEDRN N#CC1(NC(=O)c2cnc(-c3ccccc3F)s2)CCN(Cc2ccccc2)CC1 ZINC000479346801 894640934 /nfs/dbraw/zinc/64/09/34/894640934.db2.gz QBLKTYPINSDHKB-UHFFFAOYSA-N 0 0 420.513 4.237 20 30 HIEDRN C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000479359721 894658534 /nfs/dbraw/zinc/65/85/34/894658534.db2.gz OCJKVXIGTPBCBC-WFASDCNBSA-N 0 0 409.433 4.429 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2NCc2ccc(-n3cncn3)cc2)c1Br ZINC000479382902 894684412 /nfs/dbraw/zinc/68/44/12/894684412.db2.gz MAORHSWWLOSSCS-UHFFFAOYSA-N 0 0 419.286 4.370 20 30 HIEDRN N#Cc1ccc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@H]2CCO)cc1F ZINC000479471642 894794983 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20 30 HIEDRN CC(C)(C)c1ccc([C@H](C#N)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505810118 914469613 /nfs/dbraw/zinc/46/96/13/914469613.db2.gz WPYDQDRIYXVJGH-FQEVSTJZSA-N 0 0 420.513 4.490 20 30 HIEDRN Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)ccc12 ZINC000505813277 914473029 /nfs/dbraw/zinc/47/30/29/914473029.db2.gz BCMRGEFMZGCNET-HXUWFJFHSA-N 0 0 401.857 4.377 20 30 HIEDRN C[S@](=O)C[C@@H](NC(=O)Nc1ccccc1C#Cc1ccccc1)c1ccccc1 ZINC000485430493 900727717 /nfs/dbraw/zinc/72/77/17/900727717.db2.gz JZWWZETZDJCHMM-BTYSJIOQSA-N 0 0 402.519 4.328 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CC=C)CC2CCCCC2)cc1 ZINC000485435977 900732778 /nfs/dbraw/zinc/73/27/78/900732778.db2.gz NBTWLZHRFBWHSM-UHFFFAOYSA-N 0 0 405.564 4.093 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000485440084 900737281 /nfs/dbraw/zinc/73/72/81/900737281.db2.gz MSFQQPFAYMJMQG-IQHHKKDSSA-N 0 0 401.557 4.180 20 30 HIEDRN O[C@H](CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)COc1ccccc1F ZINC000505814389 914473151 /nfs/dbraw/zinc/47/31/51/914473151.db2.gz WUKIJAHHDXZSIL-BZNIZROVSA-N 0 0 411.317 4.477 20 30 HIEDRN N#C[C@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000485446365 900741596 /nfs/dbraw/zinc/74/15/96/900741596.db2.gz OGJQIQFHOOQZAV-HNNXBMFYSA-N 0 0 422.350 4.408 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000485458427 900753194 /nfs/dbraw/zinc/75/31/94/900753194.db2.gz PFQOPCGULCCXAP-UHFFFAOYSA-N 0 0 407.470 4.356 20 30 HIEDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000505814761 914474535 /nfs/dbraw/zinc/47/45/35/914474535.db2.gz HXXYGAKCPRQWNN-GOTSBHOMSA-N 0 0 403.526 4.201 20 30 HIEDRN Cc1cc(C)c2c(c1)CN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000485472019 900765738 /nfs/dbraw/zinc/76/57/38/900765738.db2.gz VBUCXMXRMHVIDR-KRWDZBQOSA-N 0 0 407.539 4.221 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)Nc2cc3n(n2)CCCC3)n(-c2ccc(C#N)cc2)n1 ZINC000485481695 900773645 /nfs/dbraw/zinc/77/36/45/900773645.db2.gz ORDLOHGVSAWTIY-UHFFFAOYSA-N 0 0 403.490 4.218 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000505819437 914476003 /nfs/dbraw/zinc/47/60/03/914476003.db2.gz FWMNSQNVPIYIMU-HXUWFJFHSA-N 0 0 403.442 4.073 20 30 HIEDRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c(C#N)cc1N(C)C ZINC000485498271 900788482 /nfs/dbraw/zinc/78/84/82/900788482.db2.gz CHUSQSLGJZSNEW-LBPRGKRZSA-N 0 0 420.282 4.240 20 30 HIEDRN N#C[C@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1ccc(Cl)cc1 ZINC000505820717 914477835 /nfs/dbraw/zinc/47/78/35/914477835.db2.gz LXGKHZDBKMSWIU-AWEZNQCLSA-N 0 0 423.757 4.073 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000505824938 914480779 /nfs/dbraw/zinc/48/07/79/914480779.db2.gz HJEUUTXLUWWBQU-MOPGFXCFSA-N 0 0 419.554 4.339 20 30 HIEDRN O=C(CCOCC(F)(F)C(F)F)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000485561132 900833340 /nfs/dbraw/zinc/83/33/40/900833340.db2.gz RYOPOWVNZXIVQX-UHFFFAOYSA-N 0 0 413.293 4.137 20 30 HIEDRN Cc1c(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)nnn1-c1cccc2cccnc21 ZINC000505830432 914483800 /nfs/dbraw/zinc/48/38/00/914483800.db2.gz CQKISMHGKHAPIG-FQEVSTJZSA-N 0 0 424.508 4.416 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000505833438 914486542 /nfs/dbraw/zinc/48/65/42/914486542.db2.gz ORXKNXFAXFTZQW-OAQYLSRUSA-N 0 0 414.509 4.350 20 30 HIEDRN Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000485644888 900896528 /nfs/dbraw/zinc/89/65/28/900896528.db2.gz SQFBXWMZOFROKH-SNVBAGLBSA-N 0 0 404.211 4.228 20 30 HIEDRN N#CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000485675606 900926543 /nfs/dbraw/zinc/92/65/43/900926543.db2.gz SLXLKWUAQOOXGL-UHFFFAOYSA-N 0 0 408.411 4.302 20 30 HIEDRN C[C@@H](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1c[nH]c2ccccc21 ZINC000485688474 900938782 /nfs/dbraw/zinc/93/87/82/900938782.db2.gz YVCNMSUAETZTJV-IVMQYODDSA-N 0 0 402.498 4.435 20 30 HIEDRN CN(C(=O)c1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1)c1ccccc1 ZINC000505838947 914491400 /nfs/dbraw/zinc/49/14/00/914491400.db2.gz PJGCKBJBQVAZGJ-DHLKQENFSA-N 0 0 417.509 4.031 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](COc2ccccc2)C1 ZINC000505841522 914492993 /nfs/dbraw/zinc/49/29/93/914492993.db2.gz WJJGEMBHZPFACD-OALUTQOASA-N 0 0 409.555 4.420 20 30 HIEDRN Cc1nc(NC(=O)Cc2ccc(F)cc2Br)sc1SCC#N ZINC000485737540 900992413 /nfs/dbraw/zinc/99/24/13/900992413.db2.gz MFPNGWUZXXRTNV-UHFFFAOYSA-N 0 0 400.298 4.150 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)cc1CN(CCC#N)Cc1cccnc1 ZINC000505848308 914496017 /nfs/dbraw/zinc/49/60/17/914496017.db2.gz PWDUJVBTSSDBPC-UHFFFAOYSA-N 0 0 410.319 4.254 20 30 HIEDRN COc1ccc(CN2CCN(C/C=C\c3ccccc3)CC2)cc1OCCCC#N ZINC000505847534 914496293 /nfs/dbraw/zinc/49/62/93/914496293.db2.gz AYQYMOQDKQSEBO-YFHOEESVSA-N 0 0 405.542 4.209 20 30 HIEDRN Cc1c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000485750824 901006679 /nfs/dbraw/zinc/00/66/79/901006679.db2.gz DDSBXVRPIQIWTG-ZDUSSCGKSA-N 0 0 413.403 4.016 20 30 HIEDRN N#Cc1cc(NC(=O)Cc2cc[nH]c(=O)c2Br)ccc1Oc1ccccc1 ZINC000485760952 901017922 /nfs/dbraw/zinc/01/79/22/901017922.db2.gz XRESCXOMMLFYEZ-UHFFFAOYSA-N 0 0 424.254 4.395 20 30 HIEDRN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000505852108 914499368 /nfs/dbraw/zinc/49/93/68/914499368.db2.gz RPCRRKZFJAAKBQ-INIZCTEOSA-N 0 0 417.918 4.142 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000505856533 914502951 /nfs/dbraw/zinc/50/29/51/914502951.db2.gz WNXVGYADCICWPP-UHFFFAOYSA-N 0 0 416.481 4.213 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000505860735 914507093 /nfs/dbraw/zinc/50/70/93/914507093.db2.gz OKDZKMDDBHWFBZ-QFIPXVFZSA-N 0 0 408.498 4.028 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485895469 901127118 /nfs/dbraw/zinc/12/71/18/901127118.db2.gz TUUXVEYRPRUCAS-QGZVFWFLSA-N 0 0 405.357 4.110 20 30 HIEDRN CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000505861866 914508548 /nfs/dbraw/zinc/50/85/48/914508548.db2.gz XHEZNGPMBWOGLL-HXUWFJFHSA-N 0 0 414.527 4.044 20 30 HIEDRN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000485906318 901135614 /nfs/dbraw/zinc/13/56/14/901135614.db2.gz LQBPNZSUSFJSMS-KRWDZBQOSA-N 0 0 418.280 4.003 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000505865343 914514421 /nfs/dbraw/zinc/51/44/21/914514421.db2.gz AEZIKOKZKQHZGU-HXUWFJFHSA-N 0 0 422.916 4.036 20 30 HIEDRN COc1cc(/C=C\c2nc3ccccc3n2CC#N)c([N+](=O)[O-])cc1OCC(F)F ZINC000485989811 901208214 /nfs/dbraw/zinc/20/82/14/901208214.db2.gz YYGWIUJUEFNTNN-SREVYHEPSA-N 0 0 414.368 4.291 20 30 HIEDRN COC(=O)c1ccc(COc2ccc(/C=C/c3ncccc3C#N)cc2OC)cc1 ZINC000486055494 901252886 /nfs/dbraw/zinc/25/28/86/901252886.db2.gz ZEEXKWPVWCABOF-YRNVUSSQSA-N 0 0 400.434 4.498 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000486115321 901300566 /nfs/dbraw/zinc/30/05/66/901300566.db2.gz LCMCQSTZSGRQES-HZPDHXFCSA-N 0 0 410.522 4.015 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000486115313 901300584 /nfs/dbraw/zinc/30/05/84/901300584.db2.gz LCMCQSTZSGRQES-CVEARBPZSA-N 0 0 410.522 4.015 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCc2c(F)cc(F)cc2C1 ZINC000486119125 901306593 /nfs/dbraw/zinc/30/65/93/901306593.db2.gz ULRRZSGDCKTZLF-AWEZNQCLSA-N 0 0 401.482 4.356 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000486134391 901321973 /nfs/dbraw/zinc/32/19/73/901321973.db2.gz DCCYVVQDNWHHCA-UHFFFAOYSA-N 0 0 401.470 4.041 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CNc1cc(Cl)ccc1C(=O)N(C)C ZINC000486154883 901341923 /nfs/dbraw/zinc/34/19/23/901341923.db2.gz IFFRBVJHVABYJA-UHFFFAOYSA-N 0 0 403.935 4.371 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1N1CCCCCC1 ZINC000505884455 914529249 /nfs/dbraw/zinc/52/92/49/914529249.db2.gz INBLHECZNMPITM-UHFFFAOYSA-N 0 0 416.529 4.170 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000486189767 901374725 /nfs/dbraw/zinc/37/47/25/901374725.db2.gz IOTGUBMAGYKYPD-UHFFFAOYSA-N 0 0 405.414 4.075 20 30 HIEDRN CSc1cccc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1[N+](=O)[O-] ZINC000486222249 901405153 /nfs/dbraw/zinc/40/51/53/901405153.db2.gz HHYMLIOSFHAHLL-UHFFFAOYSA-N 0 0 411.483 4.308 20 30 HIEDRN Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 ZINC000486238132 901420556 /nfs/dbraw/zinc/42/05/56/901420556.db2.gz ZRHXTHPTZPWYRF-LJQANCHMSA-N 0 0 422.598 4.316 20 30 HIEDRN C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000486247050 901429951 /nfs/dbraw/zinc/42/99/51/901429951.db2.gz XOXZYJSUSZNEKE-UHFFFAOYSA-N 0 0 418.921 4.355 20 30 HIEDRN C[C@@H]1CC[C@@H](N(CCO)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000486258948 901441860 /nfs/dbraw/zinc/44/18/60/901441860.db2.gz OVWOGQFHYIZCKL-WIYYLYMNSA-N 0 0 407.514 4.346 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000486273870 901456332 /nfs/dbraw/zinc/45/63/32/901456332.db2.gz ZDJSRYZJDRSIIR-ITEAAPOESA-N 0 0 412.484 4.421 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@]1(C)CCOC1 ZINC000486307857 901487124 /nfs/dbraw/zinc/48/71/24/901487124.db2.gz HVWZBGAOQQLIRC-QFIPXVFZSA-N 0 0 413.543 4.181 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccc(Cl)cc1 ZINC000486322304 901499811 /nfs/dbraw/zinc/49/98/11/901499811.db2.gz ZEWXCQSXROGOQL-ZBFHGGJFSA-N 0 0 422.699 4.381 20 30 HIEDRN CCN(C(=O)CCCOc1ccc2c(c1)NC(=O)CC2)c1ccc(C#N)c(Cl)c1 ZINC000486327242 901503533 /nfs/dbraw/zinc/50/35/33/901503533.db2.gz ZEBCVCWMXZDATK-UHFFFAOYSA-N 0 0 411.889 4.308 20 30 HIEDRN CC1(C)CC(=O)c2cc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)ccc2O1 ZINC000486342911 901515904 /nfs/dbraw/zinc/51/59/04/901515904.db2.gz IAQSEBKEKJVJOL-UHFFFAOYSA-N 0 0 418.497 4.046 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000486392047 901554946 /nfs/dbraw/zinc/55/49/46/901554946.db2.gz ZZGITVRSVCTUSL-OAQYLSRUSA-N 0 0 414.525 4.095 20 30 HIEDRN Cc1cnc(CNC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)o1 ZINC000486424050 901582293 /nfs/dbraw/zinc/58/22/93/901582293.db2.gz UWLRFEVUQDWMPC-UHFFFAOYSA-N 0 0 410.499 4.251 20 30 HIEDRN N#Cc1ccc(F)c(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@H]2CCO)c1 ZINC000486426736 901585400 /nfs/dbraw/zinc/58/54/00/901585400.db2.gz VQKGSICMYBNXDE-SFHVURJKSA-N 0 0 415.896 4.340 20 30 HIEDRN CN(C(=O)CC(C)(C)C#N)c1ccc(NC(=O)CC(C)(C)C#N)cc1Br ZINC000486426242 901585597 /nfs/dbraw/zinc/58/55/97/901585597.db2.gz TXGUYQVZLYFMQS-UHFFFAOYSA-N 0 0 419.323 4.230 20 30 HIEDRN C=CCSc1ccccc1C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OC ZINC000486429727 901588883 /nfs/dbraw/zinc/58/88/83/901588883.db2.gz GFKRHAINTLHOFG-LJQANCHMSA-N 0 0 412.486 4.099 20 30 HIEDRN Cc1c2cc(C)ccc2sc1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000486458094 901618649 /nfs/dbraw/zinc/61/86/49/901618649.db2.gz JHAVYWGGTCMTPA-IQMFZBJNSA-N 0 0 401.491 4.004 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000486471706 901632686 /nfs/dbraw/zinc/63/26/86/901632686.db2.gz ITGPJSOWEALICQ-PMACEKPBSA-N 0 0 424.342 4.163 20 30 HIEDRN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cn2)n1 ZINC000505911347 914554138 /nfs/dbraw/zinc/55/41/38/914554138.db2.gz CBNNOIVCPMTXMA-KRWDZBQOSA-N 0 0 400.269 4.186 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000486527726 901678932 /nfs/dbraw/zinc/67/89/32/901678932.db2.gz DSFAOUBDBXGYDL-MRXNPFEDSA-N 0 0 407.392 4.051 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 ZINC000486537463 901687654 /nfs/dbraw/zinc/68/76/54/901687654.db2.gz RNJCYTRJZDKBKO-UHFFFAOYSA-N 0 0 406.486 4.173 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1Br)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000505912039 914556703 /nfs/dbraw/zinc/55/67/03/914556703.db2.gz IWVOECPVWDPHBC-FUHWJXTLSA-N 0 0 405.267 4.373 20 30 HIEDRN N#CCCN(C(=O)CN1c2ccccc2CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000486559574 901705464 /nfs/dbraw/zinc/70/54/64/901705464.db2.gz MUXHJDXCAURCPG-UHFFFAOYSA-N 0 0 405.542 4.067 20 30 HIEDRN COc1ccc(Cn2cc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cn2)cc1 ZINC000486564357 901709832 /nfs/dbraw/zinc/70/98/32/901709832.db2.gz UYORBGLWDRKERX-UHFFFAOYSA-N 0 0 418.541 4.265 20 30 HIEDRN C[C@@H]1Sc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2NC1=O ZINC000505916668 914559637 /nfs/dbraw/zinc/55/96/37/914559637.db2.gz HNFBYELWVLTIOG-BJOHPYRUSA-N 0 0 406.294 4.421 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000486653569 901776218 /nfs/dbraw/zinc/77/62/18/901776218.db2.gz FJMBDUDDGQEPQI-UHFFFAOYSA-N 0 0 415.453 4.060 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 ZINC000486695214 901799952 /nfs/dbraw/zinc/79/99/52/901799952.db2.gz OPFNULHOJKPFMV-UHFFFAOYSA-N 0 0 416.506 4.183 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1Cl ZINC000486704896 901804457 /nfs/dbraw/zinc/80/44/57/901804457.db2.gz CETKNEZSNLOEQL-SBHAEUEKSA-N 0 0 407.901 4.335 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000486732393 901819315 /nfs/dbraw/zinc/81/93/15/901819315.db2.gz CLAMHDVVASBLOB-UHFFFAOYSA-N 0 0 410.348 4.117 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505922139 914569440 /nfs/dbraw/zinc/56/94/40/914569440.db2.gz FDFQKASBARTMGW-HXUWFJFHSA-N 0 0 412.415 4.432 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000505922515 914569988 /nfs/dbraw/zinc/56/99/88/914569988.db2.gz IDUUMWCVKKSNRO-UHFFFAOYSA-N 0 0 405.395 4.249 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000505923695 914571725 /nfs/dbraw/zinc/57/17/25/914571725.db2.gz XIQHYMSNNRZFDA-OALUTQOASA-N 0 0 417.431 4.149 20 30 HIEDRN CC(C)n1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c2ccccc2c1=O ZINC000505923204 914571780 /nfs/dbraw/zinc/57/17/80/914571780.db2.gz RBZQJVZKVXYLDQ-QGZVFWFLSA-N 0 0 415.280 4.279 20 30 HIEDRN Cc1c(F)cccc1-c1ccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 ZINC000486857787 901903820 /nfs/dbraw/zinc/90/38/20/901903820.db2.gz TZKMARJYGZEABN-QFIPXVFZSA-N 0 0 403.457 4.157 20 30 HIEDRN C[C@@H](NC(=O)N1CCO[C@@H](COCC2CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000486867536 901912445 /nfs/dbraw/zinc/91/24/45/901912445.db2.gz MJAJCXZTOGYCHK-HOYKHHGWSA-N 0 0 419.525 4.123 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)c(Cl)c1 ZINC000505928220 914579191 /nfs/dbraw/zinc/57/91/91/914579191.db2.gz KTNHEXFHTVBESN-CYBMUJFWSA-N 0 0 404.175 4.324 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)c4ccsc4)CC3)c2)cc1 ZINC000486971308 901997834 /nfs/dbraw/zinc/99/78/34/901997834.db2.gz AMICPNDTLZMVJX-UHFFFAOYSA-N 0 0 417.490 4.010 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(=O)C4CCC4)cc3)C2)c(F)c1 ZINC000487026738 902026506 /nfs/dbraw/zinc/02/65/06/902026506.db2.gz BFUIQKIYGDMAHU-HXUWFJFHSA-N 0 0 420.488 4.471 20 30 HIEDRN N#C[C@H](NC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1cccc(C(F)(F)F)c1 ZINC000505938042 914589171 /nfs/dbraw/zinc/58/91/71/914589171.db2.gz JSMFXPCAYMOGLC-AWEZNQCLSA-N 0 0 423.778 4.038 20 30 HIEDRN N#C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000505938862 914591027 /nfs/dbraw/zinc/59/10/27/914591027.db2.gz QEXORVMUDSQXON-OAHLLOKOSA-N 0 0 402.294 4.484 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4F)nc3)cc2C1=O ZINC000487105510 902060060 /nfs/dbraw/zinc/06/00/60/902060060.db2.gz FOIUWNPSMGPGED-UHFFFAOYSA-N 0 0 417.396 4.047 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000487162248 902080159 /nfs/dbraw/zinc/08/01/59/902080159.db2.gz RYQOVMMMPLTMTJ-KRWDZBQOSA-N 0 0 411.355 4.148 20 30 HIEDRN Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1C(=O)N(C)C(C)C ZINC000487166766 902082647 /nfs/dbraw/zinc/08/26/47/902082647.db2.gz YQALGNVYDQZGFP-UHFFFAOYSA-N 0 0 401.514 4.360 20 30 HIEDRN N#CCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000487240310 902112767 /nfs/dbraw/zinc/11/27/67/902112767.db2.gz KMFARWBNYQLBHI-RBBKRZOGSA-N 0 0 404.514 4.482 20 30 HIEDRN C=C[C@H](CC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 ZINC000487249973 902118935 /nfs/dbraw/zinc/11/89/35/902118935.db2.gz CFGLOWOZOSLUKI-DNVCBOLYSA-N 0 0 413.315 4.031 20 30 HIEDRN N#C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccccc1F ZINC000505944215 914595859 /nfs/dbraw/zinc/59/58/59/914595859.db2.gz QZVGHKHKGIQNPS-OAQYLSRUSA-N 0 0 414.440 4.135 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487275216 902134227 /nfs/dbraw/zinc/13/42/27/902134227.db2.gz KDTDUDUEJAVMFB-CVEARBPZSA-N 0 0 410.909 4.336 20 30 HIEDRN COc1cc(Br)c(C(=O)COc2cc(Cl)cc(C#N)c2)cc1OC ZINC000487327910 902154930 /nfs/dbraw/zinc/15/49/30/902154930.db2.gz SIEHULPZKVKPSO-UHFFFAOYSA-N 0 0 410.651 4.253 20 30 HIEDRN CSCc1nc2ccccc2n1CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505944725 914598943 /nfs/dbraw/zinc/59/89/43/914598943.db2.gz UZJFSAJCMLTZTE-INIZCTEOSA-N 0 0 418.444 4.299 20 30 HIEDRN COc1cccc(CN(C)C(=O)CNc2ccccc2SC[C@H](C)C#N)c1OC ZINC000487396813 902181208 /nfs/dbraw/zinc/18/12/08/902181208.db2.gz SGJSLTRZASNMDL-MRXNPFEDSA-N 0 0 413.543 4.026 20 30 HIEDRN CC(C)Cn1ncc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1C(F)F ZINC000505947646 914600817 /nfs/dbraw/zinc/60/08/17/914600817.db2.gz JBISPRVYNGPLMH-CQSZACIVSA-N 0 0 400.351 4.490 20 30 HIEDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000487409449 902191719 /nfs/dbraw/zinc/19/17/19/902191719.db2.gz DNBUVINSBYBQGK-SFHVURJKSA-N 0 0 412.603 4.360 20 30 HIEDRN N#CCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000487449968 902215434 /nfs/dbraw/zinc/21/54/34/902215434.db2.gz SIFQRQUTAYUYQH-GGAORHGYSA-N 0 0 421.516 4.158 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000512383857 921120957 /nfs/dbraw/zinc/12/09/57/921120957.db2.gz GMADLFPOPILMIG-DNVCBOLYSA-N 0 0 403.507 4.001 20 30 HIEDRN N#CCCC[C@H](NC(=O)Cc1cccc(I)c1)c1ccccc1 ZINC000487537559 902240568 /nfs/dbraw/zinc/24/05/68/902240568.db2.gz NDOWZDQVFZTPSB-SFHVURJKSA-N 0 0 418.278 4.385 20 30 HIEDRN COc1cccc(-c2noc(SCC(=O)N[C@H](CCCC#N)c3ccccc3)n2)c1 ZINC000487538497 902240834 /nfs/dbraw/zinc/24/08/34/902240834.db2.gz FUHQIRDCOWQWRM-LJQANCHMSA-N 0 0 422.510 4.389 20 30 HIEDRN CCc1ccc(C(=O)N2CCC(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)o1 ZINC000487614477 902252520 /nfs/dbraw/zinc/25/25/20/902252520.db2.gz CKMWSXHZDHWOMK-NRFANRHFSA-N 0 0 407.514 4.246 20 30 HIEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000487620796 902254580 /nfs/dbraw/zinc/25/45/80/902254580.db2.gz UXSZLEMXSQPQBA-FQEVSTJZSA-N 0 0 418.453 4.106 20 30 HIEDRN COc1nc(C)c(Br)cc1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000487629837 902260557 /nfs/dbraw/zinc/26/05/57/902260557.db2.gz SUCNLZGTENEQSK-KRWDZBQOSA-N 0 0 402.292 4.326 20 30 HIEDRN Cc1cccc(C(=O)N[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C(C)C)c1 ZINC000505954525 914608614 /nfs/dbraw/zinc/60/86/14/914608614.db2.gz OQPASEHYXJCEDJ-MOPGFXCFSA-N 0 0 417.431 4.149 20 30 HIEDRN Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000487643825 902270128 /nfs/dbraw/zinc/27/01/28/902270128.db2.gz RQHDVBTYWUEENF-OYRHEFFESA-N 0 0 420.557 4.304 20 30 HIEDRN Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000487643824 902270521 /nfs/dbraw/zinc/27/05/21/902270521.db2.gz RQHDVBTYWUEENF-NHCUHLMSSA-N 0 0 420.557 4.304 20 30 HIEDRN Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)ccc1Oc1ccncc1 ZINC000487683355 902290667 /nfs/dbraw/zinc/29/06/67/902290667.db2.gz CYAMYZKIUKIOAS-UHFFFAOYSA-N 0 0 402.454 4.343 20 30 HIEDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000487725572 902319347 /nfs/dbraw/zinc/31/93/47/902319347.db2.gz JAGKNZBPSCOJCP-DHIUTWEWSA-N 0 0 419.525 4.492 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000487753419 902342055 /nfs/dbraw/zinc/34/20/55/902342055.db2.gz UWPHHTORMXOOHL-NRFANRHFSA-N 0 0 409.534 4.065 20 30 HIEDRN Cn1cc([C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)cn1 ZINC000487761468 902347228 /nfs/dbraw/zinc/34/72/28/902347228.db2.gz LVWYQAQINCTWCZ-LLVKDONJSA-N 0 0 419.247 4.491 20 30 HIEDRN CC(C)CCn1ncc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c1C(C)C ZINC000487794108 902370097 /nfs/dbraw/zinc/37/00/97/902370097.db2.gz 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/nfs/dbraw/zinc/52/85/14/903528514.db2.gz YHHKPKMDWBQPAF-UHFFFAOYSA-N 0 0 423.929 4.433 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000489668065 903530625 /nfs/dbraw/zinc/53/06/25/903530625.db2.gz PKGATBASGUWDPM-KRWDZBQOSA-N 0 0 418.526 4.477 20 30 HIEDRN N#CCC[C@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccc1 ZINC000489671361 903534561 /nfs/dbraw/zinc/53/45/61/903534561.db2.gz ZIVAEIQKSHPFPX-ZDUSSCGKSA-N 0 0 402.369 4.048 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1S[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000489692016 903542877 /nfs/dbraw/zinc/54/28/77/903542877.db2.gz QJWZUSJBZPXCAH-NRFANRHFSA-N 0 0 420.538 4.155 20 30 HIEDRN Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000489699323 903545961 /nfs/dbraw/zinc/54/59/61/903545961.db2.gz QPJNUVYSRFMDSO-XIKOKIGWSA-N 0 0 409.433 4.052 20 30 HIEDRN Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000489699320 903546150 /nfs/dbraw/zinc/54/61/50/903546150.db2.gz QPJNUVYSRFMDSO-KZULUSFZSA-N 0 0 409.433 4.052 20 30 HIEDRN Cc1ncc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000489709389 903552582 /nfs/dbraw/zinc/55/25/82/903552582.db2.gz GQNZZBUNNISRAM-RTBURBONSA-N 0 0 423.460 4.237 20 30 HIEDRN Cc1ncc(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000489709388 903553176 /nfs/dbraw/zinc/55/31/76/903553176.db2.gz GQNZZBUNNISRAM-RBUKOAKNSA-N 0 0 423.460 4.237 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)o2)cc1 ZINC000489765860 903588914 /nfs/dbraw/zinc/58/89/14/903588914.db2.gz XQAPMMMBHFNGGT-AWEZNQCLSA-N 0 0 406.467 4.292 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccc(F)cc3)o2)cc1 ZINC000489776759 903594067 /nfs/dbraw/zinc/59/40/67/903594067.db2.gz DYRLPNNYHKHZLW-CQSZACIVSA-N 0 0 413.474 4.238 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NCCc3ccccc3)o2)cc1 ZINC000489811742 903608252 /nfs/dbraw/zinc/60/82/52/903608252.db2.gz GCHKKTPFIHMTRM-MRXNPFEDSA-N 0 0 409.511 4.141 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)Nc1ccnc(C)n1 ZINC000489929596 903683269 /nfs/dbraw/zinc/68/32/69/903683269.db2.gz DFEOBGKSOHSKMC-UHFFFAOYSA-N 0 0 407.499 4.376 20 30 HIEDRN N#CCC[C@H](NC(=O)NCc1ccc(COC2CCOCC2)cc1)c1ccccc1 ZINC000506049580 914745102 /nfs/dbraw/zinc/74/51/02/914745102.db2.gz PQQAFRNELNZTNS-QHCPKHFHSA-N 0 0 407.514 4.226 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000490062967 903753234 /nfs/dbraw/zinc/75/32/34/903753234.db2.gz WNCALGQMZOFOTH-UYAOXDASSA-N 0 0 418.497 4.030 20 30 HIEDRN C=CCOc1ccccc1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000506049976 914749307 /nfs/dbraw/zinc/74/93/07/914749307.db2.gz VUXITFDUSPMWER-UHFFFAOYSA-N 0 0 417.509 4.301 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCCCC(F)(F)C2)CC1 ZINC000490197664 903822108 /nfs/dbraw/zinc/82/21/08/903822108.db2.gz CEMAGNXFKZEAII-ZLPCBKJTSA-N 0 0 406.477 4.158 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000490200268 903823317 /nfs/dbraw/zinc/82/33/17/903823317.db2.gz IILCJMOBSPLJHA-NZQKXSOJSA-N 0 0 414.452 4.108 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000490250010 903854272 /nfs/dbraw/zinc/85/42/72/903854272.db2.gz MMHKCPKHBVLWMX-LLVKDONJSA-N 0 0 402.332 4.033 20 30 HIEDRN C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000490308896 903892276 /nfs/dbraw/zinc/89/22/76/903892276.db2.gz RGJOQRHCRGJOSD-FOIQADDNSA-N 0 0 417.431 4.291 20 30 HIEDRN C=C(C)[C@@H](NC(=O)Nc1ccc(C)c(N2CCNC2=O)c1)c1ccc(F)c(F)c1 ZINC000490343432 903935336 /nfs/dbraw/zinc/93/53/36/903935336.db2.gz MTWHVZSCVVTJGF-LJQANCHMSA-N 0 0 400.429 4.242 20 30 HIEDRN CN(C(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1)C1(C#N)CCCCC1 ZINC000506066734 914770197 /nfs/dbraw/zinc/77/01/97/914770197.db2.gz MQFIKWMVIFNPBD-UHFFFAOYSA-N 0 0 408.468 4.402 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 ZINC000490461425 904023623 /nfs/dbraw/zinc/02/36/23/904023623.db2.gz PXFHVIVGASWRFQ-UHFFFAOYSA-N 0 0 408.672 4.262 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cnn(CCC(C)C)c3C(C)C)C2)n1 ZINC000490468462 904027032 /nfs/dbraw/zinc/02/70/32/904027032.db2.gz DQIKOJDPYHNASX-FQEVSTJZSA-N 0 0 422.577 4.483 20 30 HIEDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000490483788 904036172 /nfs/dbraw/zinc/03/61/72/904036172.db2.gz HNABCQPVLYDLLB-UHFFFAOYSA-N 0 0 406.463 4.315 20 30 HIEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490510111 904059981 /nfs/dbraw/zinc/05/99/81/904059981.db2.gz PMBROOLDXLKYAY-LLVKDONJSA-N 0 0 409.795 4.389 20 30 HIEDRN N#Cc1cc(NC(=O)CCn2cnc3sccc3c2=O)ccc1Oc1ccccc1 ZINC000490578093 904113229 /nfs/dbraw/zinc/11/32/29/904113229.db2.gz IUGHNIHTLIHNNP-UHFFFAOYSA-N 0 0 416.462 4.151 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccc1Oc1ccccc1 ZINC000490601193 904128456 /nfs/dbraw/zinc/12/84/56/904128456.db2.gz MIOIDVBAGGNQMR-UHFFFAOYSA-N 0 0 422.444 4.208 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NCc2nc3cc(Cl)ccc3n2C)c1C#N ZINC000490617959 904140880 /nfs/dbraw/zinc/14/08/80/904140880.db2.gz IKHABGOTONKNNA-UHFFFAOYSA-N 0 0 411.918 4.023 20 30 HIEDRN C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC#N)CCC#N ZINC000490629373 904146249 /nfs/dbraw/zinc/14/62/49/904146249.db2.gz TYAKTTDBCJSAJH-CQSZACIVSA-N 0 0 402.907 4.273 20 30 HIEDRN CC(C)c1ccc(-n2cnnc2SCC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000490632840 904147546 /nfs/dbraw/zinc/14/75/46/904147546.db2.gz VDLSETZKAWTGJH-UHFFFAOYSA-N 0 0 409.515 4.018 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(Br)cc2cccnc21 ZINC000490748376 904206380 /nfs/dbraw/zinc/20/63/80/904206380.db2.gz WAVJWYKLQCIBEF-UHFFFAOYSA-N 0 0 420.270 4.491 20 30 HIEDRN CCn1c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)nc2cc(C#N)ccc21 ZINC000490797451 904243928 /nfs/dbraw/zinc/24/39/28/904243928.db2.gz VSZKRGGWIDOYQG-UHFFFAOYSA-N 0 0 415.478 4.494 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000490841666 904282180 /nfs/dbraw/zinc/28/21/80/904282180.db2.gz LIKQMGROHWCYQR-SFHVURJKSA-N 0 0 401.392 4.292 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@H](C)C[C@H](C)O ZINC000491029205 904380279 /nfs/dbraw/zinc/38/02/79/904380279.db2.gz QLVUCWSFSDNLBZ-GJZGRUSLSA-N 0 0 415.559 4.162 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCc3cc(Br)ccc3F)on2)c1 ZINC000506108052 914806661 /nfs/dbraw/zinc/80/66/61/914806661.db2.gz IEWMNWPMRVIRSF-UHFFFAOYSA-N 0 0 400.207 4.045 20 30 HIEDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000491091654 904423603 /nfs/dbraw/zinc/42/36/03/904423603.db2.gz QBYBEJJAKVTWRK-DEOSSOPVSA-N 0 0 404.558 4.481 20 30 HIEDRN Cc1cc([C@@H]2CN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)ccc1F ZINC000491244241 904499638 /nfs/dbraw/zinc/49/96/38/904499638.db2.gz UGJALYGCXNITJR-FQEVSTJZSA-N 0 0 401.869 4.061 20 30 HIEDRN CC(C)N(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000491251435 904502398 /nfs/dbraw/zinc/50/23/98/904502398.db2.gz ZDSRFSSOEDPXCO-UHFFFAOYSA-N 0 0 412.497 4.018 20 30 HIEDRN C=CC1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)CC1 ZINC000491324629 904537282 /nfs/dbraw/zinc/53/72/82/904537282.db2.gz UMKZBOQHKSLGHJ-UHFFFAOYSA-N 0 0 424.341 4.010 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000491557847 904649920 /nfs/dbraw/zinc/64/99/20/904649920.db2.gz OPIAGEMSFULIHZ-UHFFFAOYSA-N 0 0 423.513 4.254 20 30 HIEDRN C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cc1 ZINC000506168236 914831481 /nfs/dbraw/zinc/83/14/81/914831481.db2.gz IOZVXABFKFZLFY-UHFFFAOYSA-N 0 0 417.465 4.002 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)Cc1cccc(Cl)c1 ZINC000491591680 904666077 /nfs/dbraw/zinc/66/60/77/904666077.db2.gz NJZIRJLHTGSFKX-UHFFFAOYSA-N 0 0 404.297 4.189 20 30 HIEDRN Cc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1 ZINC000491767035 904694736 /nfs/dbraw/zinc/69/47/36/904694736.db2.gz WLDFXJATUGKZBS-SJLPKXTDSA-N 0 0 409.555 4.241 20 30 HIEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@]2(c2ccccc2)C(F)(F)F)c1 ZINC000491852345 904711048 /nfs/dbraw/zinc/71/10/48/904711048.db2.gz OHCPEIROLIAUSM-SFHVURJKSA-N 0 0 412.408 4.081 20 30 HIEDRN CCCOc1ccc(C(=O)CCC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1 ZINC000491870795 904716683 /nfs/dbraw/zinc/71/66/83/904716683.db2.gz YYKHBPZDEASJIP-UHFFFAOYSA-N 0 0 416.481 4.016 20 30 HIEDRN C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1 ZINC000506198784 914842393 /nfs/dbraw/zinc/84/23/93/914842393.db2.gz KTKXDSWYECQOFA-UHFFFAOYSA-N 0 0 417.465 4.002 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC(=O)NCc2ccco2)cc1Cl ZINC000506191805 914839979 /nfs/dbraw/zinc/83/99/79/914839979.db2.gz PWXYUBNZUDAJQY-IBGZPJMESA-N 0 0 422.872 4.026 20 30 HIEDRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)CCC#N)cc2)c(C)c1C ZINC000492054099 904777297 /nfs/dbraw/zinc/77/72/97/904777297.db2.gz JHCOLWSWLKETQJ-UHFFFAOYSA-N 0 0 413.543 4.015 20 30 HIEDRN O=C(Nc1cnn(CC(F)F)c1)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000492100764 904799291 /nfs/dbraw/zinc/79/92/91/904799291.db2.gz PVVAMRGMSJWBPT-LBPRGKRZSA-N 0 0 414.281 4.175 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000506205767 914844353 /nfs/dbraw/zinc/84/43/53/914844353.db2.gz KVENHFKUHTWLKB-UHFFFAOYSA-N 0 0 416.861 4.435 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1Sc1nccc(C(F)(F)F)n1 ZINC000492329051 904834666 /nfs/dbraw/zinc/83/46/66/904834666.db2.gz KKVZTUZWPVPZDX-UHFFFAOYSA-N 0 0 411.384 4.142 20 30 HIEDRN N#Cc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c(OC(F)F)c1 ZINC000492331247 904835708 /nfs/dbraw/zinc/83/57/08/904835708.db2.gz RRCTUNJVELCPJY-UHFFFAOYSA-N 0 0 400.351 4.212 20 30 HIEDRN C[C@H](NC(=O)c1cscc1C#N)c1ccccc1NC(=O)c1cscc1C#N ZINC000492693202 904889104 /nfs/dbraw/zinc/88/91/04/904889104.db2.gz UZCJXAZVQXWNQN-LBPRGKRZSA-N 0 0 406.492 4.296 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000492728477 904895768 /nfs/dbraw/zinc/89/57/68/904895768.db2.gz OFZDUCVNMDBSNW-LJQANCHMSA-N 0 0 419.319 4.310 20 30 HIEDRN CNC(=O)c1cccc(CSCC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000506228780 914853106 /nfs/dbraw/zinc/85/31/06/914853106.db2.gz WZFALHPGEOIIJG-HNNXBMFYSA-N 0 0 413.568 4.170 20 30 HIEDRN COc1cccc(-c2noc([C@@H](C)NCc3cc(C#N)ccc3Br)n2)c1 ZINC000492815174 904913328 /nfs/dbraw/zinc/91/33/28/904913328.db2.gz CYIBEZHFDLBXNG-GFCCVEGCSA-N 0 0 413.275 4.230 20 30 HIEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)C[C@H](C)c3c[nH]c4ccccc43)CC2)cc1 ZINC000492820703 904916297 /nfs/dbraw/zinc/91/62/97/904916297.db2.gz WUTXGKWOKZKPRE-MHECFPHRSA-N 0 0 416.525 4.079 20 30 HIEDRN COC(=O)c1cc(C)c(NCC(=O)Nc2ccccc2SCC#N)c(Cl)c1 ZINC000506237175 914857806 /nfs/dbraw/zinc/85/78/06/914857806.db2.gz VKIHEWXGHZPABT-UHFFFAOYSA-N 0 0 403.891 4.101 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(OC)ccc1Br ZINC000493257979 905070954 /nfs/dbraw/zinc/07/09/54/905070954.db2.gz PERJYLWJUHCQGZ-UHFFFAOYSA-N 0 0 401.304 4.311 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc2c1CCCC(=O)N2 ZINC000506260032 914869137 /nfs/dbraw/zinc/86/91/37/914869137.db2.gz UJENHEXIIKHLOC-HNNXBMFYSA-N 0 0 409.511 4.373 20 30 HIEDRN C[C@H](Cc1cccc(O)c1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000506269689 914874758 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CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000515936191 923450680 /nfs/dbraw/zinc/45/06/80/923450680.db2.gz IZNCVWOXHKWGQP-FQEVSTJZSA-N 0 0 400.400 4.148 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(CC(C)C)CC(C)C ZINC000515972080 923471488 /nfs/dbraw/zinc/47/14/88/923471488.db2.gz UYLPNHNVQZQJSK-UHFFFAOYSA-N 0 0 408.502 4.133 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000516054048 923521626 /nfs/dbraw/zinc/52/16/26/923521626.db2.gz RQPDZCGKYCVXFA-UHFFFAOYSA-N 0 0 406.873 4.137 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000516062953 923524997 /nfs/dbraw/zinc/52/49/97/923524997.db2.gz JWFOOPDJVCYHKM-SFHVURJKSA-N 0 0 419.403 4.118 20 30 HIEDRN CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCc1ccccc1 ZINC000516196050 923593457 /nfs/dbraw/zinc/59/34/57/923593457.db2.gz LCZVBVWKLQBUIX-UHFFFAOYSA-N 0 0 415.541 4.402 20 30 HIEDRN COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1OC ZINC000516270421 923638339 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402.845 4.099 20 30 HIEDRN N#Cc1cc(Oc2ccc(NCC(=O)NCCCOC3CCCCC3)cc2)ccn1 ZINC000516943252 923944665 /nfs/dbraw/zinc/94/46/65/923944665.db2.gz WGKVVRGURYVYCY-UHFFFAOYSA-N 0 0 408.502 4.013 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000516975579 923949300 /nfs/dbraw/zinc/94/93/00/923949300.db2.gz BOJONOQRHFGLEA-UHFFFAOYSA-N 0 0 413.399 4.414 20 30 HIEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C3(Cc4cccs4)CCCCC3)C2=O)cc1 ZINC000517001440 923962124 /nfs/dbraw/zinc/96/21/24/923962124.db2.gz BZPHSLUHRZFRMA-OAQYLSRUSA-N 0 0 421.566 4.030 20 30 HIEDRN COc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000517107850 924002384 /nfs/dbraw/zinc/00/23/84/924002384.db2.gz RGEAFYLMXNWXRB-NRFANRHFSA-N 0 0 402.498 4.254 20 30 HIEDRN Cc1noc([C@@H]2CCCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)C2)n1 ZINC000517132111 924017191 /nfs/dbraw/zinc/01/71/91/924017191.db2.gz WXIPGYCVWCZVEM-QGZVFWFLSA-N 0 0 403.442 4.454 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N(Cc1cccs1)C1CC1 ZINC000517132814 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HIEDRN C=CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000517301255 924087616 /nfs/dbraw/zinc/08/76/16/924087616.db2.gz UKDDLHJVQQQQCQ-UHFFFAOYSA-N 0 0 423.450 4.209 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N(CCc2ccccc2)Cc2cccnc2)cc1 ZINC000517310199 924094074 /nfs/dbraw/zinc/09/40/74/924094074.db2.gz OEEIDGMEGQUWPF-UHFFFAOYSA-N 0 0 414.509 4.274 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000517335685 924109942 /nfs/dbraw/zinc/10/99/42/924109942.db2.gz DGZHTWJRGLYECD-UHFFFAOYSA-N 0 0 411.259 4.157 20 30 HIEDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000517346848 924119157 /nfs/dbraw/zinc/11/91/57/924119157.db2.gz SOVXCRHUOVPFPB-BBRMVZONSA-N 0 0 405.589 4.165 20 30 HIEDRN CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1=O ZINC000517378237 924145452 /nfs/dbraw/zinc/14/54/52/924145452.db2.gz CFOOTPCQPRDMNP-WIYYLYMNSA-N 0 0 419.525 4.307 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000517430329 924178307 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HIEDRN Cc1ccc(C2=NN(C(=O)COc3ccc(C#N)c(F)c3)[C@@H](c3ccco3)C2)cc1 ZINC000517525466 924245198 /nfs/dbraw/zinc/24/51/98/924245198.db2.gz XSCYEPPYHWIKJC-OAQYLSRUSA-N 0 0 403.413 4.356 20 30 HIEDRN C=CCN(C(=O)Nc1cccc(OCCC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530317 924248600 /nfs/dbraw/zinc/24/86/00/924248600.db2.gz QITPYAPWSXSFRE-QGZVFWFLSA-N 0 0 406.490 4.232 20 30 HIEDRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000517531351 924249312 /nfs/dbraw/zinc/24/93/12/924249312.db2.gz BSIXXMZWPNLGGV-SJORKVTESA-N 0 0 416.591 4.485 20 30 HIEDRN N#Cc1cc(NCc2cc(Br)ccc2OC(F)F)cc(N)c1[N+](=O)[O-] ZINC000517545745 924257535 /nfs/dbraw/zinc/25/75/35/924257535.db2.gz ZCVMCBFHWNGLNB-UHFFFAOYSA-N 0 0 413.178 4.025 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000517593196 926701991 /nfs/dbraw/zinc/70/19/91/926701991.db2.gz UFGPTZBIPJZIIO-HXUWFJFHSA-N 0 0 424.888 4.024 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(Sc4ccccc4)CC3)C2)c(F)c1 ZINC000517600799 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401.898 4.113 20 30 HIEDRN CC(C)(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc([N+](=O)[O-])cc1 ZINC000542967335 939887783 /nfs/dbraw/zinc/88/77/83/939887783.db2.gz YWUSWMSCJQTVDW-UHFFFAOYSA-N 0 0 409.833 4.222 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)c(Cl)c1 ZINC000542966590 939887919 /nfs/dbraw/zinc/88/79/19/939887919.db2.gz FQWGKFIBINRRHZ-UHFFFAOYSA-N 0 0 423.263 4.489 20 30 HIEDRN COc1ccc(C[C@H](C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1OC ZINC000542980942 939891012 /nfs/dbraw/zinc/89/10/12/939891012.db2.gz GGQBVTNKQGUEHR-AWEZNQCLSA-N 0 0 424.888 4.232 20 30 HIEDRN CC(C)c1n[nH]c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-] ZINC000542991913 939892574 /nfs/dbraw/zinc/89/25/74/939892574.db2.gz XWMWGPJXLLQHIY-CQSZACIVSA-N 0 0 403.442 4.471 20 30 HIEDRN Cc1ncc2c(n1)CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC000543015949 939895587 /nfs/dbraw/zinc/89/55/87/939895587.db2.gz BHLQPHKCFOEUFI-HJPURHCSSA-N 0 0 411.509 4.241 20 30 HIEDRN Cc1cc(N(C)Cc2ccc(C#N)cc2)nc([C@@H](C)N(C)Cc2ccc(C#N)cc2)n1 ZINC000543019884 939896364 /nfs/dbraw/zinc/89/63/64/939896364.db2.gz TUVWVORZMJUGFS-LJQANCHMSA-N 0 0 410.525 4.358 20 30 HIEDRN C[C@@H](NC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029703 939898568 /nfs/dbraw/zinc/89/85/68/939898568.db2.gz QEPVDPUWZBQOKV-QGZVFWFLSA-N 0 0 412.493 4.280 20 30 HIEDRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1cccc(Cl)c1C#N ZINC000543031004 939898959 /nfs/dbraw/zinc/89/89/59/939898959.db2.gz UZTCHRPRPAPXLW-AWEZNQCLSA-N 0 0 401.919 4.064 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](c3nc(CCCOc4ccc(F)cc4)no3)C2)c(F)c1 ZINC000563747344 945280533 /nfs/dbraw/zinc/28/05/33/945280533.db2.gz DIHPIQSJMLPOON-INIZCTEOSA-N 0 0 410.424 4.225 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3CCC(CCCn4ccnc4)CC3)cc2)nc1 ZINC000543094793 939940160 /nfs/dbraw/zinc/94/01/60/939940160.db2.gz FHIDKEGWUCIJBM-UHFFFAOYSA-N 0 0 415.497 4.275 20 30 HIEDRN N#CCc1ccc(OC[C@H](O)CSc2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000543094836 939941154 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COc1ccc(-n2ccnc2SCC(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000543148040 939972858 /nfs/dbraw/zinc/97/28/58/939972858.db2.gz XGEFOCRAGDADEA-UHFFFAOYSA-N 0 0 406.511 4.228 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000543152679 939976774 /nfs/dbraw/zinc/97/67/74/939976774.db2.gz YEZXCIPQGVOYNF-UHFFFAOYSA-N 0 0 422.510 4.066 20 30 HIEDRN N#Cc1ccc(CN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C2CC2)cc1 ZINC000543175367 939985521 /nfs/dbraw/zinc/98/55/21/939985521.db2.gz NSXMMZZOZZTISV-NRFANRHFSA-N 0 0 414.465 4.087 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCc2ccc(F)c(F)c2F)o1 ZINC000543208741 939996644 /nfs/dbraw/zinc/99/66/44/939996644.db2.gz UEMWJAAQQCIIOB-UHFFFAOYSA-N 0 0 400.356 4.120 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000543215893 939997551 /nfs/dbraw/zinc/99/75/51/939997551.db2.gz WMOSOTWKNCWXDK-CQSZACIVSA-N 0 0 417.303 4.478 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC000543214717 939997929 /nfs/dbraw/zinc/99/79/29/939997929.db2.gz GGRUWCZKAVINQC-UHFFFAOYSA-N 0 0 424.888 4.292 20 30 HIEDRN Cc1cc(-c2noc(CCC(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)ccc1F ZINC000543228343 940001739 /nfs/dbraw/zinc/00/17/39/940001739.db2.gz SGLKQHJJOCAYOL-UHFFFAOYSA-N 0 0 404.445 4.180 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000543277019 940015455 /nfs/dbraw/zinc/01/54/55/940015455.db2.gz BFSSPLQICUMZOF-UHFFFAOYSA-N 0 0 410.474 4.130 20 30 HIEDRN Cc1ccc(-c2nc(CCNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)co2)cc1 ZINC000543300187 940021757 /nfs/dbraw/zinc/02/17/57/940021757.db2.gz PAFFHTYMDGKQAU-UHFFFAOYSA-N 0 0 400.482 4.438 20 30 HIEDRN C[C@@H](CN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1nccs1 ZINC000543313266 940025851 /nfs/dbraw/zinc/02/58/51/940025851.db2.gz CEQAAVVDTMHXKS-LBPRGKRZSA-N 0 0 400.895 4.121 20 30 HIEDRN CCOC(=O)c1cn(C)nc1NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543313194 940026074 /nfs/dbraw/zinc/02/60/74/940026074.db2.gz ZUBZSXCKRZWIHS-OAHLLOKOSA-N 0 0 417.469 4.018 20 30 HIEDRN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000543336081 940035296 /nfs/dbraw/zinc/03/52/96/940035296.db2.gz PINVCQHZWXRGHC-XMMPIXPASA-N 0 0 413.525 4.487 20 30 HIEDRN COc1ccc(OC(F)F)c(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000543342434 940036098 /nfs/dbraw/zinc/03/60/98/940036098.db2.gz LSQYFZLGXKGUKL-UHFFFAOYSA-N 0 0 401.413 4.042 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000543356336 940040541 /nfs/dbraw/zinc/04/05/41/940040541.db2.gz PFHKVOLDDNFADY-SFHVURJKSA-N 0 0 413.449 4.146 20 30 HIEDRN COCCCOc1cc(C)ccc1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543368959 940044195 /nfs/dbraw/zinc/04/41/95/940044195.db2.gz WRBDRGHDSUCMJR-UHFFFAOYSA-N 0 0 407.514 4.156 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000543383485 940047669 /nfs/dbraw/zinc/04/76/69/940047669.db2.gz LVKUCYCMVIJFCX-UHFFFAOYSA-N 0 0 415.449 4.088 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000543392973 940050532 /nfs/dbraw/zinc/05/05/32/940050532.db2.gz LKMCJCSKSIZYIV-OAHLLOKOSA-N 0 0 401.894 4.375 20 30 HIEDRN CNC(=O)c1cc(Oc2cc(NC(=O)c3ccc(Cl)c(C#N)c3)ccc2C)ccn1 ZINC000543481269 940078677 /nfs/dbraw/zinc/07/86/77/940078677.db2.gz RPKHRORVOXOGDR-UHFFFAOYSA-N 0 0 420.856 4.319 20 30 HIEDRN Cc1sc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)nc1-c1ccc(Cl)cc1 ZINC000543503204 940087660 /nfs/dbraw/zinc/08/76/60/940087660.db2.gz GAEFBDMVQPAGNW-YUNKPMOVSA-N 0 0 402.951 4.231 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN[C@@H](C)c3nc(C)no3)sc2C1 ZINC000543510948 940089741 /nfs/dbraw/zinc/08/97/41/940089741.db2.gz WWRACVDROBKJNJ-GXTWGEPZSA-N 0 0 415.563 4.142 20 30 HIEDRN Cc1csc([C@@H](C)NCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1 ZINC000543510673 940090082 /nfs/dbraw/zinc/09/00/82/940090082.db2.gz ICCOBJGUYQYZEB-MRXNPFEDSA-N 0 0 419.554 4.282 20 30 HIEDRN C[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)cs1 ZINC000543516782 940092979 /nfs/dbraw/zinc/09/29/79/940092979.db2.gz AQPYDSWFWLTHJI-CQSZACIVSA-N 0 0 423.504 4.278 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000543558525 940108697 /nfs/dbraw/zinc/10/86/97/940108697.db2.gz DZSREHHKELQYFA-TZIWHRDSSA-N 0 0 423.582 4.210 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3nc[nH]n3)c3ccccc3)cc2)cc1 ZINC000543605528 940128548 /nfs/dbraw/zinc/12/85/48/940128548.db2.gz RKTAYIFJUIVBCB-QFIPXVFZSA-N 0 0 409.449 4.182 20 30 HIEDRN Cc1ccccc1[C@H](c1noc(CS(=O)(=O)Cc2ccc(C#N)cc2)n1)C(C)C ZINC000563778081 945299410 /nfs/dbraw/zinc/29/94/10/945299410.db2.gz OHTLOKHAXJZRSC-OAQYLSRUSA-N 0 0 409.511 4.153 20 30 HIEDRN Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000543735678 940171685 /nfs/dbraw/zinc/17/16/85/940171685.db2.gz MSXBANDSFNQIGQ-UHFFFAOYSA-N 0 0 404.474 4.061 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2SCCc3ccccc32)n1 ZINC000543767513 940180205 /nfs/dbraw/zinc/18/02/05/940180205.db2.gz JVNMRFVAFSOODO-IBGZPJMESA-N 0 0 407.474 4.035 20 30 HIEDRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1F ZINC000543826043 940199727 /nfs/dbraw/zinc/19/97/27/940199727.db2.gz LUQINHHTIXLGIG-KRWDZBQOSA-N 0 0 408.260 4.456 20 30 HIEDRN O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000543880147 940222747 /nfs/dbraw/zinc/22/27/47/940222747.db2.gz KLNNLVODNBVXFE-NRFANRHFSA-N 0 0 411.509 4.424 20 30 HIEDRN COc1cccc(C[C@@H](C)NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000543887217 940226395 /nfs/dbraw/zinc/22/63/95/940226395.db2.gz IYIFCODIWLGSHN-CQSZACIVSA-N 0 0 409.877 4.159 20 30 HIEDRN CCCCOC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543887987 940226463 /nfs/dbraw/zinc/22/64/63/940226463.db2.gz QVMXOGWJPKSYJS-UHFFFAOYSA-N 0 0 401.898 4.210 20 30 HIEDRN Cc1csc([C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C2CC2)n1 ZINC000543887219 940226502 /nfs/dbraw/zinc/22/65/02/940226502.db2.gz JBQQKUSVDAPEHQ-KRWDZBQOSA-N 0 0 412.906 4.435 20 30 HIEDRN COc1cccc(C[C@H](C)NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000543887216 940226571 /nfs/dbraw/zinc/22/65/71/940226571.db2.gz IYIFCODIWLGSHN-AWEZNQCLSA-N 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ZINC000543898684 940232349 /nfs/dbraw/zinc/23/23/49/940232349.db2.gz ORTZIPHFACMHJG-UHFFFAOYSA-N 0 0 407.773 4.304 20 30 HIEDRN C[C@@H](NC(=O)NCCC(=O)N1CCCCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543904570 940234861 /nfs/dbraw/zinc/23/48/61/940234861.db2.gz YHFTXBSPCOTGQL-LJQANCHMSA-N 0 0 418.541 4.378 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1 ZINC000543905942 940235486 /nfs/dbraw/zinc/23/54/86/940235486.db2.gz MGESQFZEQGYVDN-UHFFFAOYSA-N 0 0 423.263 4.489 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)c1nccs1 ZINC000563824400 945305158 /nfs/dbraw/zinc/30/51/58/945305158.db2.gz BOGHRZLSUYTRBY-INIZCTEOSA-N 0 0 408.531 4.001 20 30 HIEDRN C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543917845 940244846 /nfs/dbraw/zinc/24/48/46/940244846.db2.gz NDWQTSZWVXCZIA-SBUREZEXSA-N 0 0 412.493 4.202 20 30 HIEDRN C[C@H](CC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)NC(=O)C1CCCC1 ZINC000543917855 940245541 /nfs/dbraw/zinc/24/55/41/940245541.db2.gz 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C[C@H](NC(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943050 940257888 /nfs/dbraw/zinc/25/78/88/940257888.db2.gz AVQPXVWEDKHWCW-PNHOKKKMSA-N 0 0 417.431 4.383 20 30 HIEDRN C[C@H](NC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944000 940258059 /nfs/dbraw/zinc/25/80/59/940258059.db2.gz WITRQQILMLUYSB-INIZCTEOSA-N 0 0 416.456 4.363 20 30 HIEDRN Cc1cc(N(C)Cc2cccc(C#N)c2)nc([C@H](C)N(C)Cc2cccc(C#N)c2)n1 ZINC000543947090 940260139 /nfs/dbraw/zinc/26/01/39/940260139.db2.gz LDUMMVIXANWJQD-IBGZPJMESA-N 0 0 410.525 4.358 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c2ccccc2C(=O)N1 ZINC000544005712 940294988 /nfs/dbraw/zinc/29/49/88/940294988.db2.gz SWHDGRMWKIRRRY-QGZVFWFLSA-N 0 0 411.461 4.324 20 30 HIEDRN CC[C@H](c1nnc(SC[C@@H](O)COc2ccc(CC#N)cc2)o1)c1ccccc1 ZINC000544022872 940302287 /nfs/dbraw/zinc/30/22/87/940302287.db2.gz UMBNOLNIAHVXKG-ICSRJNTNSA-N 0 0 409.511 4.210 20 30 HIEDRN C=CC[C@H](CO)NC(=O)N[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C 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/nfs/dbraw/zinc/16/52/96/942165296.db2.gz VASORMFXUIAVEO-UHFFFAOYSA-N 0 0 412.331 4.169 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000554569727 942169586 /nfs/dbraw/zinc/16/95/86/942169586.db2.gz NLCMHGMRAZCXKJ-UHFFFAOYSA-N 0 0 404.392 4.112 20 30 HIEDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)n1 ZINC000554577809 942170478 /nfs/dbraw/zinc/17/04/78/942170478.db2.gz ZHXQSBRKWPFPPU-UHFFFAOYSA-N 0 0 401.470 4.443 20 30 HIEDRN C[C@@H](NC(=O)NCCc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000554586829 942172891 /nfs/dbraw/zinc/17/28/91/942172891.db2.gz VPJKHPKQNRFHSN-GOSISDBHSA-N 0 0 400.482 4.135 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(OC3CCCC3)cc2)CC1 ZINC000554595506 942173536 /nfs/dbraw/zinc/17/35/36/942173536.db2.gz TWSIKAQRLNLDEZ-UHFFFAOYSA-N 0 0 404.514 4.170 20 30 HIEDRN CC(C)(C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1cc(F)cc(C#N)c1 ZINC000554628485 942178787 /nfs/dbraw/zinc/17/87/87/942178787.db2.gz MFVLWJYGBDSNOD-UHFFFAOYSA-N 0 0 422.287 4.427 20 30 HIEDRN C=CCn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000554630942 942179681 /nfs/dbraw/zinc/17/96/81/942179681.db2.gz FQYAGBVNNQRBBG-XHNVNVPESA-N 0 0 418.541 4.447 20 30 HIEDRN C[C@@H](c1cccs1)N(C)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000554629009 942179846 /nfs/dbraw/zinc/17/98/46/942179846.db2.gz YUXPXPDOWCCGAY-INIZCTEOSA-N 0 0 403.507 4.123 20 30 HIEDRN N#Cc1cccc(NC(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)c1 ZINC000554730119 942213882 /nfs/dbraw/zinc/21/38/82/942213882.db2.gz QRTULIUWXSJYRT-QGZVFWFLSA-N 0 0 411.811 4.211 20 30 HIEDRN C[C@@H](NC(=O)C(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554776112 942232669 /nfs/dbraw/zinc/23/26/69/942232669.db2.gz MUYGTLNHWKGJPC-SJORKVTESA-N 0 0 401.510 4.192 20 30 HIEDRN N#Cc1cc(Br)ccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000554782025 942234321 /nfs/dbraw/zinc/23/43/21/942234321.db2.gz IOCUQSFCFNQMOT-UHFFFAOYSA-N 0 0 412.209 4.225 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3O[C@H](C)C(F)(F)F)cc2C1=O ZINC000554793469 942240987 /nfs/dbraw/zinc/24/09/87/942240987.db2.gz MAXOFZVLHVVQHO-GFCCVEGCSA-N 0 0 418.371 4.051 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1C ZINC000554802614 942246104 /nfs/dbraw/zinc/24/61/04/942246104.db2.gz NIBQWAROKGZHCV-HTAPYJJXSA-N 0 0 400.482 4.333 20 30 HIEDRN C=C[C@](C)(CCOC)c1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000554828385 942267603 /nfs/dbraw/zinc/26/76/03/942267603.db2.gz OULQRZPFHZUQOV-CWTRNNRKSA-N 0 0 412.317 4.277 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000554829248 942269206 /nfs/dbraw/zinc/26/92/06/942269206.db2.gz ZJYBDYIMWQRUBR-JOCHJYFZSA-N 0 0 423.516 4.189 20 30 HIEDRN CC(C)c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C ZINC000554866105 942299452 /nfs/dbraw/zinc/29/94/52/942299452.db2.gz VBPMIJVRLPUNLB-LBPRGKRZSA-N 0 0 403.577 4.260 20 30 HIEDRN COc1ccc(C(=O)N2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)CC2)cc1 ZINC000554874381 942303272 /nfs/dbraw/zinc/30/32/72/942303272.db2.gz QGRDJYVWEISHTO-UHFFFAOYSA-N 0 0 420.900 4.039 20 30 HIEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1c1cccs1 ZINC000554920856 942320137 /nfs/dbraw/zinc/32/01/37/942320137.db2.gz DCQUOOKGAPPQSB-GOSISDBHSA-N 0 0 421.574 4.041 20 30 HIEDRN C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC000554924585 942321508 /nfs/dbraw/zinc/32/15/08/942321508.db2.gz OODUUCMCOFQXJE-QGZVFWFLSA-N 0 0 408.424 4.145 20 30 HIEDRN C=CCn1c(Cc2ccccn2)nnc1N(CC)Cc1cccc(Br)c1 ZINC000554926439 942322223 /nfs/dbraw/zinc/32/22/23/942322223.db2.gz OYIMJBBLTORECI-UHFFFAOYSA-N 0 0 412.335 4.239 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(Oc3ccncc3C)CC2)c1 ZINC000554968174 942337350 /nfs/dbraw/zinc/33/73/50/942337350.db2.gz NHPZRNDLJMCUEI-OAQYLSRUSA-N 0 0 420.557 4.185 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987573 942344166 /nfs/dbraw/zinc/34/41/66/942344166.db2.gz FNCZNQBFJGRHCO-DNQXCXABSA-N 0 0 402.519 4.328 20 30 HIEDRN CC[C@@H](C(=O)N1CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1)c1ccccc1 ZINC000554994585 942347795 /nfs/dbraw/zinc/34/77/95/942347795.db2.gz MGNPFFQAVJOMEV-HXUWFJFHSA-N 0 0 408.477 4.004 20 30 HIEDRN COc1cc(NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1NC(C)=O ZINC000555007317 942353209 /nfs/dbraw/zinc/35/32/09/942353209.db2.gz CTDZQWVKGMCUHK-UHFFFAOYSA-N 0 0 417.425 4.357 20 30 HIEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000555028348 942362584 /nfs/dbraw/zinc/36/25/84/942362584.db2.gz HLURPNMJDAFVJO-UHFFFAOYSA-N 0 0 405.841 4.259 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000555052408 942371457 /nfs/dbraw/zinc/37/14/57/942371457.db2.gz FLJZXVMJGMZKLN-LJQANCHMSA-N 0 0 421.497 4.095 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000555052406 942371469 /nfs/dbraw/zinc/37/14/69/942371469.db2.gz FLJZXVMJGMZKLN-IBGZPJMESA-N 0 0 421.497 4.095 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000555111771 942388225 /nfs/dbraw/zinc/38/82/25/942388225.db2.gz HVVHAKMXZVNLML-RSXGOPAZSA-N 0 0 412.489 4.033 20 30 HIEDRN Cc1c(NC(=O)c2ccc(Cl)c(C#N)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000555142681 942402571 /nfs/dbraw/zinc/40/25/71/942402571.db2.gz KDSFIGFYZGYUPJ-UHFFFAOYSA-N 0 0 419.794 4.431 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1 ZINC000555188894 942423476 /nfs/dbraw/zinc/42/34/76/942423476.db2.gz BIPKKPPXXOJNRJ-UHFFFAOYSA-N 0 0 412.541 4.381 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000555221097 942435439 /nfs/dbraw/zinc/43/54/39/942435439.db2.gz XVSDHBVJMIMMMX-KRWDZBQOSA-N 0 0 402.564 4.449 20 30 HIEDRN C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC000555221017 942435457 /nfs/dbraw/zinc/43/54/57/942435457.db2.gz KUODZVTWQGJSSQ-OAQYLSRUSA-N 0 0 409.578 4.058 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC000555238498 942441566 /nfs/dbraw/zinc/44/15/66/942441566.db2.gz UJAUOBREEOIFMU-UHFFFAOYSA-N 0 0 421.545 4.062 20 30 HIEDRN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000555238852 942441662 /nfs/dbraw/zinc/44/16/62/942441662.db2.gz ZXBBUEOLYNRGGL-OFAXGOBFSA-N 0 0 416.525 4.497 20 30 HIEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000555240468 942442126 /nfs/dbraw/zinc/44/21/26/942442126.db2.gz NZOCABKTFFQZCH-TYBLODHISA-N 0 0 424.589 4.192 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OC2CCCC2)CC1 ZINC000555240887 942442204 /nfs/dbraw/zinc/44/22/04/942442204.db2.gz WAYDAAYQMPSWJY-UHFFFAOYSA-N 0 0 411.506 4.357 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCc1ncc(C)s1 ZINC000555241121 942442346 /nfs/dbraw/zinc/44/23/46/942442346.db2.gz ZGUDOGRSEFFSAF-UHFFFAOYSA-N 0 0 419.558 4.151 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@@H]([C@H]3CCOC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555241162 942442480 /nfs/dbraw/zinc/44/24/80/942442480.db2.gz ZYEOMYMOBMZGMD-MSOLQXFVSA-N 0 0 418.488 4.235 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000555244141 942444303 /nfs/dbraw/zinc/44/43/03/942444303.db2.gz BOLZIFOJYUAGJM-HXUWFJFHSA-N 0 0 419.529 4.429 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000555247295 942445066 /nfs/dbraw/zinc/44/50/66/942445066.db2.gz BGMPHYMFRIQHNW-SJORKVTESA-N 0 0 409.559 4.352 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000555249735 942445819 /nfs/dbraw/zinc/44/58/19/942445819.db2.gz YYVGJKVGGTUDII-QFIPXVFZSA-N 0 0 422.504 4.459 20 30 HIEDRN C=C(C)Cn1c(CCC2CCCCC2)nnc1N(C)Cc1nc([C@H](C)OC)no1 ZINC000555249646 942445977 /nfs/dbraw/zinc/44/59/77/942445977.db2.gz VMBINVNHLGKTBN-INIZCTEOSA-N 0 0 402.543 4.094 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](COCC)C1 ZINC000555251121 942446957 /nfs/dbraw/zinc/44/69/57/942446957.db2.gz ZEQWUQZOEYJJDM-INIZCTEOSA-N 0 0 404.942 4.436 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(F)(F)F)CC1 ZINC000555255786 942448820 /nfs/dbraw/zinc/44/88/20/942448820.db2.gz PWAGQMGPKRBBAW-QGZVFWFLSA-N 0 0 408.424 4.145 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000555256296 942449562 /nfs/dbraw/zinc/44/95/62/942449562.db2.gz UQBIFSGCVNGYGH-UQBPGWFLSA-N 0 0 418.541 4.449 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000555256916 942449714 /nfs/dbraw/zinc/44/97/14/942449714.db2.gz YARDFODZNXVBTB-HXUWFJFHSA-N 0 0 401.514 4.376 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OCc2ccc(F)cc2)nnc1N1CC[C@H](OC)C1 ZINC000555257469 942449876 /nfs/dbraw/zinc/44/98/76/942449876.db2.gz QPSYREBPYISNKS-FQEVSTJZSA-N 0 0 422.504 4.464 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@H](COCCOC)C1 ZINC000555257482 942449994 /nfs/dbraw/zinc/44/99/94/942449994.db2.gz RBWMAIZIZJAVRV-NRFANRHFSA-N 0 0 420.557 4.088 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC000555258794 942450493 /nfs/dbraw/zinc/45/04/93/942450493.db2.gz LIZGLTHVFXSCEU-QHCPKHFHSA-N 0 0 413.525 4.231 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000555258600 942450551 /nfs/dbraw/zinc/45/05/51/942450551.db2.gz PKXDIQAKZMOBMG-WOJBJXKFSA-N 0 0 403.530 4.322 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC000555258856 942450998 /nfs/dbraw/zinc/45/09/98/942450998.db2.gz TUHQOIQDWYDIOT-IOJLRTSASA-N 0 0 420.598 4.142 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CC[C@H](C(C)C)C1 ZINC000555261045 942451401 /nfs/dbraw/zinc/45/14/01/942451401.db2.gz PDNMXYNDASBSHL-SFHVURJKSA-N 0 0 420.561 4.123 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](CCCc2ccccc2)C1 ZINC000555260670 942451679 /nfs/dbraw/zinc/45/16/79/942451679.db2.gz JJMGJGRRHKQDQI-FCHUYYIVSA-N 0 0 410.562 4.181 20 30 HIEDRN C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(Nc2cccc(C(=O)OC)c2)CC1 ZINC000555263584 942452133 /nfs/dbraw/zinc/45/21/33/942452133.db2.gz FBCCEBJKMWUCDI-UHFFFAOYSA-N 0 0 423.561 4.379 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cscn1 ZINC000555264606 942453401 /nfs/dbraw/zinc/45/34/01/942453401.db2.gz SHCWVCUUGPMBMF-UHFFFAOYSA-N 0 0 404.337 4.377 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC000555264657 942453462 /nfs/dbraw/zinc/45/34/62/942453462.db2.gz TWPJJVJLPFIUQX-NRFANRHFSA-N 0 0 405.546 4.110 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2ncccc2Cl)CC1 ZINC000555265517 942454145 /nfs/dbraw/zinc/45/41/45/942454145.db2.gz KWZNKJGBLJRQOK-MRXNPFEDSA-N 0 0 419.957 4.011 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OC(C)C)CC1 ZINC000555267945 942455420 /nfs/dbraw/zinc/45/54/20/942455420.db2.gz DQLINIHYDPYOJB-UHFFFAOYSA-N 0 0 406.534 4.101 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC000555267616 942455429 /nfs/dbraw/zinc/45/54/29/942455429.db2.gz CSBNCCNVWRBKAY-OAQYLSRUSA-N 0 0 403.530 4.063 20 30 HIEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000555269193 942455747 /nfs/dbraw/zinc/45/57/47/942455747.db2.gz VFEBIVBNRFMIQZ-UHFFFAOYSA-N 0 0 413.591 4.314 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000555270749 942456638 /nfs/dbraw/zinc/45/66/38/942456638.db2.gz KOIPMVCESHCGCL-LJQANCHMSA-N 0 0 413.610 4.062 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC000555272535 942457887 /nfs/dbraw/zinc/45/78/87/942457887.db2.gz OUZYIOGGOZCHGG-QFIPXVFZSA-N 0 0 404.514 4.416 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000555274089 942458672 /nfs/dbraw/zinc/45/86/72/942458672.db2.gz FQIGKJYTDZLDTA-VGSWGCGISA-N 0 0 403.530 4.382 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC000555274386 942458831 /nfs/dbraw/zinc/45/88/31/942458831.db2.gz PYNSXNFSSYLXAY-QHCPKHFHSA-N 0 0 420.557 4.228 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(c2ccccc2F)CC1 ZINC000555287895 942463299 /nfs/dbraw/zinc/46/32/99/942463299.db2.gz UJAYWDDMSFYEQS-UHFFFAOYSA-N 0 0 421.520 4.037 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC000555290635 942464250 /nfs/dbraw/zinc/46/42/50/942464250.db2.gz QVJCBLBJJMLOKR-HNNXBMFYSA-N 0 0 422.360 4.181 20 30 HIEDRN CC(C)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000555349174 942488245 /nfs/dbraw/zinc/48/82/45/942488245.db2.gz ZQZWKKGVXIBNSY-UHFFFAOYSA-N 0 0 422.577 4.249 20 30 HIEDRN C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cccs2)CC1 ZINC000555436823 942536655 /nfs/dbraw/zinc/53/66/55/942536655.db2.gz SRIMHYCQOGKZTJ-UHFFFAOYSA-N 0 0 410.543 4.475 20 30 HIEDRN C=CCCCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCOC1 ZINC000555475571 942578939 /nfs/dbraw/zinc/57/89/39/942578939.db2.gz KYEAMIHFQBFQSK-HNNXBMFYSA-N 0 0 422.371 4.255 20 30 HIEDRN CC1(C#N)CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCCO2)CC1 ZINC000555482866 942584794 /nfs/dbraw/zinc/58/47/94/942584794.db2.gz VUYDGTQLGXKEKI-KRWDZBQOSA-N 0 0 404.518 4.126 20 30 HIEDRN CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(OC)c(Br)c(OC)c2)cc1 ZINC000555482514 942585197 /nfs/dbraw/zinc/58/51/97/942585197.db2.gz ATGOIMZYCQDWSL-INIZCTEOSA-N 0 0 417.303 4.366 20 30 HIEDRN C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCCO1 ZINC000555484659 942586396 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/nfs/dbraw/zinc/92/34/15/847923415.db2.gz JLQUYFYEWSSTGX-UHFFFAOYSA-N 0 0 419.510 4.406 20 30 HIEDRN C=CCn1c2nnc(SCCCOc3ccc(C)c(C)c3)n2c2ccccc2c1=O ZINC000031836603 847957229 /nfs/dbraw/zinc/95/72/29/847957229.db2.gz QZDIWEAOSRAIOS-UHFFFAOYSA-N 0 0 420.538 4.408 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Br)ccc1Br ZINC000031950586 847969072 /nfs/dbraw/zinc/96/90/72/847969072.db2.gz ILSSLFWXILCNSL-JTQLQIEISA-N 0 0 424.092 4.489 20 30 HIEDRN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032038514 847980288 /nfs/dbraw/zinc/98/02/88/847980288.db2.gz LZUBTFMACFGCLL-UHFFFAOYSA-N 0 0 415.449 4.357 20 30 HIEDRN C=CCn1c(SCC(=O)c2ccc(C)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000032177281 847991298 /nfs/dbraw/zinc/99/12/98/847991298.db2.gz OWTQUZULSKFEBZ-FQEVSTJZSA-N 0 0 407.495 4.260 20 30 HIEDRN C=CCn1c(SCCOc2cccc(F)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000032324855 848005105 /nfs/dbraw/zinc/00/51/05/848005105.db2.gz ZGSCTORAAQGINB-IBGZPJMESA-N 0 0 413.474 4.287 20 30 HIEDRN N#CCCN(C(=O)c1cc(Cc2ccccc2)ccc1O)c1ccc2c(c1)OCCO2 ZINC000436570731 861856042 /nfs/dbraw/zinc/85/60/42/861856042.db2.gz SCUFIYDNRIOSSH-UHFFFAOYSA-N 0 0 414.461 4.315 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000032557015 848046285 /nfs/dbraw/zinc/04/62/85/848046285.db2.gz XQJXLDSZJPXUOW-BEFAXECRSA-N 0 0 407.495 4.340 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)nc1C ZINC000032607826 848052249 /nfs/dbraw/zinc/05/22/49/848052249.db2.gz ALFPBLFXXIGQEK-UHFFFAOYSA-N 0 0 419.890 4.253 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000032618257 848053662 /nfs/dbraw/zinc/05/36/62/848053662.db2.gz FXPNDTLJCQZFRF-UHFFFAOYSA-N 0 0 402.351 4.174 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000032678567 848062789 /nfs/dbraw/zinc/06/27/89/848062789.db2.gz IJLIMSQUJIEGMX-ZWKOTPCHSA-N 0 0 401.466 4.177 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032786038 848074510 /nfs/dbraw/zinc/07/45/10/848074510.db2.gz SEJGTNWFZVTHOJ-UHFFFAOYSA-N 0 0 423.498 4.084 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000032787883 848075824 /nfs/dbraw/zinc/07/58/24/848075824.db2.gz LDLGKBJNFOFFFZ-CQSZACIVSA-N 0 0 413.934 4.223 20 30 HIEDRN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000032940514 848094363 /nfs/dbraw/zinc/09/43/63/848094363.db2.gz XCEXBQYKYPJSBS-HNNXBMFYSA-N 0 0 402.454 4.000 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1C ZINC000033153441 848115177 /nfs/dbraw/zinc/11/51/77/848115177.db2.gz WTSPXEPPGHWJFH-UHFFFAOYSA-N 0 0 407.239 4.185 20 30 HIEDRN C=CCc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc(OC)c1OC ZINC000036632673 848151032 /nfs/dbraw/zinc/15/10/32/848151032.db2.gz LIQXTXQYOHJKFR-UHFFFAOYSA-N 0 0 403.482 4.359 20 30 HIEDRN C=CCn1c(SCC(=O)N(Cc2ccccc2)C(C)C)nc2sccc2c1=O ZINC000036800102 848163570 /nfs/dbraw/zinc/16/35/70/848163570.db2.gz JWCSGFYVAHDFNK-UHFFFAOYSA-N 0 0 413.568 4.173 20 30 HIEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000039578572 848192202 /nfs/dbraw/zinc/19/22/02/848192202.db2.gz YPZDJFBGCACCDP-AOMKIAJQSA-N 0 0 423.542 4.121 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000039750842 848195263 /nfs/dbraw/zinc/19/52/63/848195263.db2.gz BOAANIMAYISNOH-QGZVFWFLSA-N 0 0 408.527 4.471 20 30 HIEDRN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(S(C)(=O)=O)ccc3C)n2)cc1 ZINC000041513612 848224439 /nfs/dbraw/zinc/22/44/39/848224439.db2.gz WOVGTTBQDVFUCB-SFHVURJKSA-N 0 0 410.520 4.321 20 30 HIEDRN CC(C)(C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1cc(F)cc(C#N)c1 ZINC000436642086 861879612 /nfs/dbraw/zinc/87/96/12/861879612.db2.gz QGKGWYPBPTWEGN-UHFFFAOYSA-N 0 0 423.488 4.382 20 30 HIEDRN N#C[C@@H](C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1 ZINC000041522335 848225882 /nfs/dbraw/zinc/22/58/82/848225882.db2.gz CSQQWAOBJFDVPS-ICSRJNTNSA-N 0 0 417.490 4.418 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548843 848229804 /nfs/dbraw/zinc/22/98/04/848229804.db2.gz QJBCAGORUUGZHO-NSHDSACASA-N 0 0 417.368 4.136 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)cc1Cl ZINC000042069449 848281056 /nfs/dbraw/zinc/28/10/56/848281056.db2.gz GCVGNYCPHDLCOQ-HXUWFJFHSA-N 0 0 407.832 4.195 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)nnc1C1CC1 ZINC000042177651 848296485 /nfs/dbraw/zinc/29/64/85/848296485.db2.gz RLNMJNSSHHIGHZ-CYBMUJFWSA-N 0 0 410.499 4.410 20 30 HIEDRN N#Cc1ccc(CNC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 ZINC000042181140 848296691 /nfs/dbraw/zinc/29/66/91/848296691.db2.gz PPRLIJGGDRRPFW-UHFFFAOYSA-N 0 0 400.463 4.170 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nc2sccc2c1=O ZINC000042183862 848297861 /nfs/dbraw/zinc/29/78/61/848297861.db2.gz CIUNZKOINDQRCK-GJZGRUSLSA-N 0 0 413.568 4.310 20 30 HIEDRN COc1ccc(C[C@@H](NC(=O)c2cccc(CC#N)c2)c2ccc(OC)cc2)cc1 ZINC000042401797 848324088 /nfs/dbraw/zinc/32/40/88/848324088.db2.gz NVTCCOSNRYSNSB-XMMPIXPASA-N 0 0 400.478 4.484 20 30 HIEDRN C=CCn1c(S[C@H](C)c2nc(CC)no2)nc2sc3c(c2c1=O)CCCC3 ZINC000042651148 848337781 /nfs/dbraw/zinc/33/77/81/848337781.db2.gz IQTZIKMJCAMCNO-LLVKDONJSA-N 0 0 402.545 4.322 20 30 HIEDRN CCOc1cc(-c2nnc(Sc3ccc(C#N)cn3)o2)cc(OCC)c1OCC ZINC000042817594 848356863 /nfs/dbraw/zinc/35/68/63/848356863.db2.gz FSRDGZOCQWIOSW-UHFFFAOYSA-N 0 0 412.471 4.351 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)cc1 ZINC000042955746 848368869 /nfs/dbraw/zinc/36/88/69/848368869.db2.gz RVZAOAYXKDZAMU-UHFFFAOYSA-N 0 0 416.868 4.368 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C(C)C)nnc1C1CC1 ZINC000042977631 848369821 /nfs/dbraw/zinc/36/98/21/848369821.db2.gz UALYGLPXRNNBJE-GOSISDBHSA-N 0 0 413.547 4.055 20 30 HIEDRN COc1cc(-c2noc(CCCCCNc3ncc(C#N)cc3Cl)n2)ccc1O ZINC000436696958 861896229 /nfs/dbraw/zinc/89/62/29/861896229.db2.gz KDAXBMHDKHBHSH-UHFFFAOYSA-N 0 0 413.865 4.196 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OC)c(C(=O)OC)c1 ZINC000043079858 848381425 /nfs/dbraw/zinc/38/14/25/848381425.db2.gz GBPIPPIYPLUQRX-UHFFFAOYSA-N 0 0 408.907 4.095 20 30 HIEDRN C=CCn1c(SCc2noc(-c3ccccc3O)n2)nnc1-c1ccc(OC)cc1 ZINC000436703313 861897840 /nfs/dbraw/zinc/89/78/40/861897840.db2.gz GLMJUBXWGPNAFZ-UHFFFAOYSA-N 0 0 421.482 4.188 20 30 HIEDRN CCc1cccc(CC)c1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000043339919 848411502 /nfs/dbraw/zinc/41/15/02/848411502.db2.gz DXKDHKRYDZSOEV-UHFFFAOYSA-N 0 0 419.485 4.285 20 30 HIEDRN C[C@H](NC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(C#N)cc1 ZINC000043822647 848471906 /nfs/dbraw/zinc/47/19/06/848471906.db2.gz YOEFZTKFTOLXGF-ZDUSSCGKSA-N 0 0 417.494 4.449 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ccc2c(c1)OCCCO2 ZINC000043840599 848476789 /nfs/dbraw/zinc/47/67/89/848476789.db2.gz LEBAVQCWTNOEPC-INIZCTEOSA-N 0 0 412.511 4.284 20 30 HIEDRN C[C@H](NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O)c1ccc(C#N)cc1 ZINC000436722239 861908276 /nfs/dbraw/zinc/90/82/76/861908276.db2.gz NPQVNBAWIYVPQV-ZDUSSCGKSA-N 0 0 421.403 4.285 20 30 HIEDRN O=C(NCc1ccccc1Cn1cncn1)Nc1cccc(C#Cc2cccs2)c1 ZINC000043996037 848497776 /nfs/dbraw/zinc/49/77/76/848497776.db2.gz LEXYTOMTCFLKBX-UHFFFAOYSA-N 0 0 413.506 4.109 20 30 HIEDRN C[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)n1cccn1 ZINC000044542528 848568535 /nfs/dbraw/zinc/56/85/35/848568535.db2.gz GYXRYUBTZMXXIC-LLVKDONJSA-N 0 0 405.405 4.021 20 30 HIEDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000044623238 848580408 /nfs/dbraw/zinc/58/04/08/848580408.db2.gz JOINSEUARSPXIX-IRXDYDNUSA-N 0 0 408.502 4.077 20 30 HIEDRN Cc1nc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)sc1SCC#N ZINC000044788838 848604032 /nfs/dbraw/zinc/60/40/32/848604032.db2.gz REXHGBHAVOOCCX-UHFFFAOYSA-N 0 0 403.920 4.467 20 30 HIEDRN CSc1ncc(C(=O)Nc2nc(C)c(SCC#N)s2)n1-c1ccccc1 ZINC000044789645 848604060 /nfs/dbraw/zinc/60/40/60/848604060.db2.gz XXNKUCYNUYPZEC-UHFFFAOYSA-N 0 0 401.542 4.227 20 30 HIEDRN CCC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 ZINC000044794442 848605168 /nfs/dbraw/zinc/60/51/68/848605168.db2.gz LUWAFTYHLWVNFI-UHFFFAOYSA-N 0 0 414.512 4.371 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000045030215 848625407 /nfs/dbraw/zinc/62/54/07/848625407.db2.gz DYJAHBYRYGHSLZ-UHFFFAOYSA-N 0 0 414.465 4.278 20 30 HIEDRN C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000045218368 848648589 /nfs/dbraw/zinc/64/85/89/848648589.db2.gz UWTAVPHJFDXRNJ-LBPRGKRZSA-N 0 0 406.364 4.165 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000045244611 848652601 /nfs/dbraw/zinc/65/26/01/848652601.db2.gz ICPHKGBHLLFCLB-JOCHJYFZSA-N 0 0 411.505 4.222 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045403851 848676414 /nfs/dbraw/zinc/67/64/14/848676414.db2.gz LJPFDPUROCUUMR-UHFFFAOYSA-N 0 0 406.486 4.122 20 30 HIEDRN N#Cc1ccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC000045407946 848676870 /nfs/dbraw/zinc/67/68/70/848676870.db2.gz NZQGDGHLRBKSCA-UHFFFAOYSA-N 0 0 412.312 4.303 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WDJVOFRTFHPNTB-LJQANCHMSA-N 0 0 404.514 4.112 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)c1 ZINC000409515656 855518012 /nfs/dbraw/zinc/51/80/12/855518012.db2.gz UURVKNMGZGMTKY-HXUWFJFHSA-N 0 0 420.538 4.155 20 30 HIEDRN CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409522471 855521826 /nfs/dbraw/zinc/52/18/26/855521826.db2.gz RORUYUKPDTTWCV-UHFFFAOYSA-N 0 0 406.788 4.190 20 30 HIEDRN COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000409542957 855534004 /nfs/dbraw/zinc/53/40/04/855534004.db2.gz JVVZWIXAHWBQFC-SFHVURJKSA-N 0 0 410.417 4.111 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3cc4ccccc4s3)CC2)c1 ZINC000409556480 855539979 /nfs/dbraw/zinc/53/99/79/855539979.db2.gz QIWBZKOLWLKLRG-UHFFFAOYSA-N 0 0 418.522 4.333 20 30 HIEDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409565609 855543414 /nfs/dbraw/zinc/54/34/14/855543414.db2.gz NCLKYRZRAYOEGN-HSZRJFAPSA-N 0 0 422.492 4.427 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCC3(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000409642236 855578938 /nfs/dbraw/zinc/57/89/38/855578938.db2.gz RZNJCCWDOZVRPJ-UHFFFAOYSA-N 0 0 410.399 4.224 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000409649431 855582154 /nfs/dbraw/zinc/58/21/54/855582154.db2.gz PPVAVQQYOJKKCF-HXUWFJFHSA-N 0 0 400.482 4.238 20 30 HIEDRN COC(=O)COc1c(C)cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1C ZINC000437383972 862697966 /nfs/dbraw/zinc/69/79/66/862697966.db2.gz IQFZSTZSOILJRV-GOSISDBHSA-N 0 0 420.490 4.469 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000409691622 855604473 /nfs/dbraw/zinc/60/44/73/855604473.db2.gz ZAQBQHIRBBQNJV-GOSISDBHSA-N 0 0 419.550 4.373 20 30 HIEDRN C[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccc(C#N)cc1 ZINC000409708061 855613475 /nfs/dbraw/zinc/61/34/75/855613475.db2.gz WYTKBFKGWOZDFF-SJCJKPOMSA-N 0 0 400.276 4.205 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409748005 855633866 /nfs/dbraw/zinc/63/38/66/855633866.db2.gz FNNCYXIGCCQMAQ-RTBURBONSA-N 0 0 410.315 4.174 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1ncc2ccccc21 ZINC000409786704 855653182 /nfs/dbraw/zinc/65/31/82/855653182.db2.gz TZVCBNCXNSFSGR-UHFFFAOYSA-N 0 0 402.267 4.153 20 30 HIEDRN Cn1c2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2nc1C(F)F ZINC000409785989 855653248 /nfs/dbraw/zinc/65/32/48/855653248.db2.gz GVDTZNOAIVHHEX-UHFFFAOYSA-N 0 0 407.342 4.311 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1(c2cncc(Br)c2)CC1 ZINC000409786884 855653362 /nfs/dbraw/zinc/65/33/62/855653362.db2.gz INXYZBWMVLSERX-UHFFFAOYSA-N 0 0 423.232 4.062 20 30 HIEDRN C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(OC(F)(F)F)c1 ZINC000409794507 855656859 /nfs/dbraw/zinc/65/68/59/855656859.db2.gz PLXYGKGNEDGNHY-CYBMUJFWSA-N 0 0 400.360 4.134 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 ZINC000409819959 855672027 /nfs/dbraw/zinc/67/20/27/855672027.db2.gz NLSFVBOLSVHWAX-QFIXIFRTSA-N 0 0 420.509 4.067 20 30 HIEDRN C=CCN(C(=O)CSCc1cccc(Cl)c1)c1nc(C(=O)OCC)cs1 ZINC000409827234 855675517 /nfs/dbraw/zinc/67/55/17/855675517.db2.gz RDVYPEOTVRYMDV-UHFFFAOYSA-N 0 0 410.948 4.426 20 30 HIEDRN C=CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc(C(=O)OCC)cs1 ZINC000409832625 855677540 /nfs/dbraw/zinc/67/75/40/855677540.db2.gz QCRWLIHCIXBJRN-UHFFFAOYSA-N 0 0 415.298 4.225 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](O)Cc1ccccc1 ZINC000437388453 862711450 /nfs/dbraw/zinc/71/14/50/862711450.db2.gz CFVCOQZYZJIVCQ-HTAPYJJXSA-N 0 0 401.466 4.464 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H](c3c(F)cccc3F)C(F)(F)F)n2)c1 ZINC000409916723 855722213 /nfs/dbraw/zinc/72/22/13/855722213.db2.gz XOVBOBFCMBNBPF-QGZVFWFLSA-N 0 0 406.314 4.056 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000409980986 855760009 /nfs/dbraw/zinc/76/00/09/855760009.db2.gz BQGZUGKCUKNBIR-HNNXBMFYSA-N 0 0 405.479 4.207 20 30 HIEDRN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(C#N)c2)c(Br)c1 ZINC000410099786 855819704 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20 30 HIEDRN C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437393601 862727730 /nfs/dbraw/zinc/72/77/30/862727730.db2.gz GTSWOBSIQHOCKF-YZZKKUAISA-N 0 0 407.514 4.244 20 30 HIEDRN Cn1ccc2c(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cccc2c1=O ZINC000410369426 855956026 /nfs/dbraw/zinc/95/60/26/855956026.db2.gz YRUCCYZAMIXLLG-UHFFFAOYSA-N 0 0 409.445 4.241 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)c1cc2ccccc2s1 ZINC000410405135 855979009 /nfs/dbraw/zinc/97/90/09/855979009.db2.gz ITPIGKZQHNIWBM-LLVKDONJSA-N 0 0 415.421 4.190 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)ccc1Oc1ccccc1 ZINC000425942757 856011786 /nfs/dbraw/zinc/01/17/86/856011786.db2.gz GOUQBJDSDVGXGI-UHFFFAOYSA-N 0 0 405.841 4.259 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc2[nH]ccc21 ZINC000425975068 856026335 /nfs/dbraw/zinc/02/63/35/856026335.db2.gz GFMFMVPKZZNHCA-UHFFFAOYSA-N 0 0 415.405 4.250 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1[nH]c2ccccc2c1Br ZINC000425996509 856036847 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C[C@@H](CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1c[nH]c2ccccc21 ZINC000426129169 856126239 /nfs/dbraw/zinc/12/62/39/856126239.db2.gz QNDNILKUIFHGPV-BTYIYWSLSA-N 0 0 418.522 4.073 20 30 HIEDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1Cl ZINC000426139020 856133180 /nfs/dbraw/zinc/13/31/80/856133180.db2.gz MEONVOAUKMLFOS-GOSISDBHSA-N 0 0 412.877 4.164 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 ZINC000437407501 862762424 /nfs/dbraw/zinc/76/24/24/862762424.db2.gz GFJABRDJKXARIP-LBPRGKRZSA-N 0 0 405.882 4.187 20 30 HIEDRN COCCCOc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000426167173 856149501 /nfs/dbraw/zinc/14/95/01/856149501.db2.gz IUWVDRXKMYIPCD-UHFFFAOYSA-N 0 0 408.376 4.167 20 30 HIEDRN CCCc1cnc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)s1 ZINC000426198515 856170499 /nfs/dbraw/zinc/17/04/99/856170499.db2.gz JREAOYYHQLXKGY-UHFFFAOYSA-N 0 0 406.467 4.337 20 30 HIEDRN C=CCN(C(=O)[C@@H](C)c1ccc(Cl)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000426288206 856222873 /nfs/dbraw/zinc/22/28/73/856222873.db2.gz AYSNCZMRKDEQLW-KBPBESRZSA-N 0 0 401.923 4.257 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ncc(Cc2ccccc2)s1)c1ccccc1 ZINC000426327264 856247400 /nfs/dbraw/zinc/24/74/00/856247400.db2.gz RGYZAOJICGKMOX-FQEVSTJZSA-N 0 0 405.523 4.496 20 30 HIEDRN COC[C@H](C)n1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 ZINC000426349696 856255251 /nfs/dbraw/zinc/25/52/51/856255251.db2.gz VSPVFKTXZWYLDR-AWEZNQCLSA-N 0 0 410.861 4.660 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000426527297 856335143 /nfs/dbraw/zinc/33/51/43/856335143.db2.gz XJGJMGSTFHPOJB-UHFFFAOYSA-N 0 0 422.431 4.452 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1Oc1ccccc1 ZINC000426589019 856362261 /nfs/dbraw/zinc/36/22/61/856362261.db2.gz SLBNBQMPPROWPH-UHFFFAOYSA-N 0 0 415.453 4.308 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](COC)c1ccc(Cl)cc1 ZINC000426617889 856375728 /nfs/dbraw/zinc/37/57/28/856375728.db2.gz KIYKKMUPAGTZAE-LJQANCHMSA-N 0 0 403.866 4.334 20 30 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COc1ccc(Br)c(CN(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000428469513 857212394 /nfs/dbraw/zinc/21/23/94/857212394.db2.gz VGRDVDPPFDVEQG-ZDUSSCGKSA-N 0 0 402.292 4.232 20 30 HIEDRN O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000437560403 862886278 /nfs/dbraw/zinc/88/62/78/862886278.db2.gz TXQLGTIFNAUPQS-UHFFFAOYSA-N 0 0 424.272 4.363 20 30 HIEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000428507298 857232029 /nfs/dbraw/zinc/23/20/29/857232029.db2.gz AEXJHLJCCNXXKA-KRWDZBQOSA-N 0 0 412.795 4.389 20 30 HIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000437568692 862890025 /nfs/dbraw/zinc/89/00/25/862890025.db2.gz OTOKXWOGNRQPHG-NRFANRHFSA-N 0 0 402.926 4.492 20 30 HIEDRN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000428622341 857280745 /nfs/dbraw/zinc/28/07/45/857280745.db2.gz RWBFVPVODIFYJT-LLVKDONJSA-N 0 0 410.421 4.020 20 30 HIEDRN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000428622352 857280778 /nfs/dbraw/zinc/28/07/78/857280778.db2.gz RWBFVPVODIFYJT-NSHDSACASA-N 0 0 410.421 4.020 20 30 HIEDRN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428714784 857307585 /nfs/dbraw/zinc/30/75/85/857307585.db2.gz WBVHJXMHPBIWHC-PGRDOPGGSA-N 0 0 400.482 4.066 20 30 HIEDRN Cc1cnc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(Br)c1 ZINC000428776375 857332089 /nfs/dbraw/zinc/33/20/89/857332089.db2.gz DZIFHQLCJVKNKE-UHFFFAOYSA-N 0 0 410.275 4.182 20 30 HIEDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1sccc1C#N ZINC000428783800 857336605 /nfs/dbraw/zinc/33/66/05/857336605.db2.gz KHUWMAYKSXDQBJ-GUYCJALGSA-N 0 0 423.460 4.429 20 30 HIEDRN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428789594 857340520 /nfs/dbraw/zinc/34/05/20/857340520.db2.gz AHDKLXAVGQNBAB-GHTZIAJQSA-N 0 0 412.493 4.101 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(Cc3csc(Cc4ccc(Cl)cc4)n3)C2)nc1 ZINC000428793251 857342326 /nfs/dbraw/zinc/34/23/26/857342326.db2.gz JOXXEUFKFGPWBU-IBGZPJMESA-N 0 0 410.930 4.307 20 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/nfs/dbraw/zinc/40/34/66/857403466.db2.gz BKVBROUCIXPYBV-UHFFFAOYSA-N 0 0 402.498 4.429 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1-c1ccccc1 ZINC000428913423 857410177 /nfs/dbraw/zinc/41/01/77/857410177.db2.gz UGISPMSPGXJYRG-IBGZPJMESA-N 0 0 406.873 4.371 20 30 HIEDRN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428922940 857417438 /nfs/dbraw/zinc/41/74/38/857417438.db2.gz BIYNDBUSROODJA-SUMWQHHRSA-N 0 0 423.460 4.429 20 30 HIEDRN Cc1nc(C#N)c(C#N)n1CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000428926685 857419477 /nfs/dbraw/zinc/41/94/77/857419477.db2.gz CMSDGSUSGJJIDQ-UHFFFAOYSA-N 0 0 412.478 4.159 20 30 HIEDRN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428935120 857424864 /nfs/dbraw/zinc/42/48/64/857424864.db2.gz YNRSAZGNFAVNTE-QRWLVFNGSA-N 0 0 417.431 4.368 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(C)cc1C ZINC000429023061 857461373 /nfs/dbraw/zinc/46/13/73/857461373.db2.gz AYJJKDGDGKYGAC-UHFFFAOYSA-N 0 0 402.454 4.120 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000429029035 857464358 /nfs/dbraw/zinc/46/43/58/857464358.db2.gz DGBDWXUWAVZXOC-IBGZPJMESA-N 0 0 401.601 4.063 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000429036277 857469087 /nfs/dbraw/zinc/46/90/87/857469087.db2.gz RURSKPNQVJRJAO-HSZRJFAPSA-N 0 0 422.598 4.096 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@@H]2CCCOc3c(F)cccc32)c1-c1ccccc1 ZINC000429077806 857498076 /nfs/dbraw/zinc/49/80/76/857498076.db2.gz RJNKCQMSWNAVIL-HXUWFJFHSA-N 0 0 404.445 4.247 20 30 HIEDRN CCc1cc(=O)c2cc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)ccc2[nH]1 ZINC000429086299 857502135 /nfs/dbraw/zinc/50/21/35/857502135.db2.gz FTKQZVUFMUAPBS-UHFFFAOYSA-N 0 0 411.465 4.120 20 30 HIEDRN CCCc1c(C(=O)Nc2cc(C#N)ccc2OCCOC)cnn1-c1ccccc1C ZINC000429091289 857505393 /nfs/dbraw/zinc/50/53/93/857505393.db2.gz HDINXRKKRMJFGP-UHFFFAOYSA-N 0 0 418.497 4.282 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2Cc3cccc(O)c3C2)cc1 ZINC000429119629 857518357 /nfs/dbraw/zinc/51/83/57/857518357.db2.gz XOUSSHSIAYFCKF-QFIPXVFZSA-N 0 0 415.468 4.282 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2ncccc2Cl)CC1 ZINC000429211674 857557043 /nfs/dbraw/zinc/55/70/43/857557043.db2.gz FDRSTOQYSGCPFK-CYBMUJFWSA-N 0 0 414.962 4.363 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 ZINC000437610932 862928126 /nfs/dbraw/zinc/92/81/26/862928126.db2.gz CLOBKKPIHQXXSS-JOCHJYFZSA-N 0 0 400.450 4.254 20 30 HIEDRN CC[C@]1(CO)CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000429369912 857626391 /nfs/dbraw/zinc/62/63/91/857626391.db2.gz YZCQWANZBXHUMX-DEOSSOPVSA-N 0 0 407.514 4.348 20 30 HIEDRN Cc1noc(C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccccc2)n1 ZINC000429398879 857642863 /nfs/dbraw/zinc/64/28/63/857642863.db2.gz AXLCATOBQMSCCL-SFHVURJKSA-N 0 0 405.458 4.142 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCn4ccnc4C3)cc2Cl)c1 ZINC000429436595 857667481 /nfs/dbraw/zinc/66/74/81/857667481.db2.gz XNJKSTBWLYAUON-SFHVURJKSA-N 0 0 421.888 4.124 20 30 HIEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000429461898 857682444 /nfs/dbraw/zinc/68/24/44/857682444.db2.gz NLLIDZXHZRDDOL-LJQANCHMSA-N 0 0 421.419 4.223 20 30 HIEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000429461897 857683106 /nfs/dbraw/zinc/68/31/06/857683106.db2.gz NLLIDZXHZRDDOL-IBGZPJMESA-N 0 0 421.419 4.223 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1cc2c(cc1Cl)CCC2=O)c1ccccc1 ZINC000429494766 857695619 /nfs/dbraw/zinc/69/56/19/857695619.db2.gz RYTRDXMAVNRIGL-UHFFFAOYSA-N 0 0 409.873 4.134 20 30 HIEDRN CN(Cc1cn2c(n1)CCCC2)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000429501868 857700289 /nfs/dbraw/zinc/70/02/89/857700289.db2.gz BBCPYGMDKKZFBS-UHFFFAOYSA-N 0 0 400.482 4.350 20 30 HIEDRN CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](C)Cc1ccsc1 ZINC000429545191 857736430 /nfs/dbraw/zinc/73/64/30/857736430.db2.gz CLBMWVUQTSAODW-CQSZACIVSA-N 0 0 413.934 4.944 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(COc4cccc(C#N)c4)c3)nc21 ZINC000429564027 857752435 /nfs/dbraw/zinc/75/24/35/857752435.db2.gz DPWZANXIMVGORG-HXUWFJFHSA-N 0 0 407.433 4.207 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(COc4ccc(C#N)cc4)c3)nc21 ZINC000429575073 857761245 /nfs/dbraw/zinc/76/12/45/857761245.db2.gz ITXWJHNBGUDKTI-FQEVSTJZSA-N 0 0 407.433 4.207 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)[C@@H](C#N)c3nc4c(nccc4C)[nH]3)cc2)c(C)c1Cl ZINC000429585073 857768339 /nfs/dbraw/zinc/76/83/39/857768339.db2.gz HYWSGCMCYCANMQ-MRXNPFEDSA-N 0 0 404.861 4.212 20 30 HIEDRN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3nn(C(C)C)cc3C#N)cc12 ZINC000429593741 857775246 /nfs/dbraw/zinc/77/52/46/857775246.db2.gz PFBGHYHBJYYVPX-UHFFFAOYSA-N 0 0 404.499 4.605 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)nc21 ZINC000429598425 857781194 /nfs/dbraw/zinc/78/11/94/857781194.db2.gz QKIWVIBCWVOYKU-HNNXBMFYSA-N 0 0 401.474 4.205 20 30 HIEDRN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc12 ZINC000429607238 857790817 /nfs/dbraw/zinc/79/08/17/857790817.db2.gz CWAFCMVAUNLKEX-UHFFFAOYSA-N 0 0 418.526 4.779 20 30 HIEDRN N#CCCn1ncc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1-c1ccccc1 ZINC000429665704 857826609 /nfs/dbraw/zinc/82/66/09/857826609.db2.gz ACDQZFRGESGAOG-UHFFFAOYSA-N 0 0 402.473 4.455 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000429731026 857854774 /nfs/dbraw/zinc/85/47/74/857854774.db2.gz IQBGIDGEAWSLIY-UHFFFAOYSA-N 0 0 424.302 4.229 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000429738721 857860965 /nfs/dbraw/zinc/86/09/65/857860965.db2.gz XHYIQUGRIXTSGH-CQSZACIVSA-N 0 0 424.302 4.448 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429757355 857874428 /nfs/dbraw/zinc/87/44/28/857874428.db2.gz GJLVCQRLVMLGBI-YBOAYWMSSA-N 0 0 413.518 4.365 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1-c1ccccc1 ZINC000429788304 857884787 /nfs/dbraw/zinc/88/47/87/857884787.db2.gz QAPZSZZQOVNVQI-UHFFFAOYSA-N 0 0 402.502 4.877 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000429793482 857887257 /nfs/dbraw/zinc/88/72/57/857887257.db2.gz GAABSIIFKSWXCE-LJQANCHMSA-N 0 0 407.520 4.103 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000429832188 857901446 /nfs/dbraw/zinc/90/14/46/857901446.db2.gz MZFAHLOPFDMCAZ-OAQYLSRUSA-N 0 0 419.550 4.193 20 30 HIEDRN N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000429831637 857901823 /nfs/dbraw/zinc/90/18/23/857901823.db2.gz PWFWBANRZNAOIH-UHFFFAOYSA-N 0 0 411.310 4.097 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429841609 857905743 /nfs/dbraw/zinc/90/57/43/857905743.db2.gz FBBMIDFJVGNPEB-UHFFFAOYSA-N 0 0 400.232 4.057 20 30 HIEDRN CC(C)(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000429844948 857908152 /nfs/dbraw/zinc/90/81/52/857908152.db2.gz ZGBSKUAHDJDKJD-UHFFFAOYSA-N 0 0 407.348 4.324 20 30 HIEDRN COc1cc(Br)c(NC(=O)c2cccc(SCC#N)c2)cc1OC ZINC000429847906 857909273 /nfs/dbraw/zinc/90/92/73/857909273.db2.gz HUMWVPYYPXKBQX-UHFFFAOYSA-N 0 0 407.289 4.334 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429850226 857909866 /nfs/dbraw/zinc/90/98/66/857909866.db2.gz IYDGBYOPOLMNPH-UHFFFAOYSA-N 0 0 404.220 4.268 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000429890329 857928964 /nfs/dbraw/zinc/92/89/64/857928964.db2.gz WWHQICBGSGKMRC-UHFFFAOYSA-N 0 0 409.555 4.192 20 30 HIEDRN C[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@H](c2ccc(F)cc2)O1 ZINC000429896374 857933511 /nfs/dbraw/zinc/93/35/11/857933511.db2.gz HHCIOWLAVMJXQC-HTAPYJJXSA-N 0 0 418.472 4.205 20 30 HIEDRN C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000429896738 857934038 /nfs/dbraw/zinc/93/40/38/857934038.db2.gz RIBIEAUXAMEHSU-SFHVURJKSA-N 0 0 403.454 4.334 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000437639530 862969189 /nfs/dbraw/zinc/96/91/89/862969189.db2.gz VKOQDWDJEWYDCQ-JOCHJYFZSA-N 0 0 416.543 4.272 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)nn1-c1ccc(Br)cc1 ZINC000429934905 857958254 /nfs/dbraw/zinc/95/82/54/857958254.db2.gz XTSHBROFGGCFQL-AWEZNQCLSA-N 0 0 409.287 4.306 20 30 HIEDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)o1 ZINC000429937649 857959344 /nfs/dbraw/zinc/95/93/44/857959344.db2.gz CVQBWUXXFRGYEA-GMBSWORKSA-N 0 0 415.515 4.279 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000429974083 857978342 /nfs/dbraw/zinc/97/83/42/857978342.db2.gz XFIMRBRGZQBXSY-UHFFFAOYSA-N 0 0 400.525 4.271 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3ncsc3-c3ccccc3)CC2)cc1 ZINC000437643917 862973355 /nfs/dbraw/zinc/97/33/55/862973355.db2.gz UONCVHRSWOBTPE-UHFFFAOYSA-N 0 0 402.523 4.030 20 30 HIEDRN C=CCn1c(S[C@@H](C)c2noc(C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000430108132 858035780 /nfs/dbraw/zinc/03/57/80/858035780.db2.gz ZFRNFLQOHMCIDZ-QWRGUYRKSA-N 0 0 402.545 4.314 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000430110990 858036866 /nfs/dbraw/zinc/03/68/66/858036866.db2.gz MTLHKIGJLKWJFY-WBVHZDCISA-N 0 0 402.279 4.500 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)CO[C@H]2CCCc3ccccc32)c1C#N ZINC000430132699 858047054 /nfs/dbraw/zinc/04/70/54/858047054.db2.gz OOHFCSZVIQGSKH-FQEVSTJZSA-N 0 0 418.522 4.499 20 30 HIEDRN C=C[C@H](CC(=O)NC[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1 ZINC000430137551 858048901 /nfs/dbraw/zinc/04/89/01/858048901.db2.gz ZBHASOWFIYORGW-ZWKOTPCHSA-N 0 0 402.332 4.076 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccccc2)cc1C(F)(F)F ZINC000430200130 858079283 /nfs/dbraw/zinc/07/92/83/858079283.db2.gz FUZNSDKUAWAXRK-SFHVURJKSA-N 0 0 401.388 4.269 20 30 HIEDRN N#CCC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccc(Cl)cc2)CC1 ZINC000430320531 858121269 /nfs/dbraw/zinc/12/12/69/858121269.db2.gz ADLFCGWLUNHCRO-UHFFFAOYSA-N 0 0 402.281 4.409 20 30 HIEDRN N#CCCn1cc(C(=O)CN(CCc2ccccn2)Cc2cccnc2)c2ccccc21 ZINC000430330434 858124341 /nfs/dbraw/zinc/12/43/41/858124341.db2.gz SYGIAPMVTWUHTR-UHFFFAOYSA-N 0 0 423.520 4.273 20 30 HIEDRN N#Cc1ccc(CN(CCc2ccccn2)Cc2cccnc2)c(Br)c1 ZINC000430364608 858134654 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HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430919848 858370608 /nfs/dbraw/zinc/37/06/08/858370608.db2.gz SDUVZCZYZSLFEW-MJGOQNOKSA-N 0 0 423.582 4.159 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[C@H](c4ccccc4F)C3)CC2)nc1 ZINC000430929402 858373480 /nfs/dbraw/zinc/37/34/80/858373480.db2.gz WIUJDICYSVORCC-LHQJTOJGSA-N 0 0 422.504 4.418 20 30 HIEDRN C[C@H](NC(=O)NCc1c(F)cc(F)c(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000430950844 858380294 /nfs/dbraw/zinc/38/02/94/858380294.db2.gz JDYJCYLYINSEIF-YFKPBYRVSA-N 0 0 401.307 4.279 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2ccc(F)cc2)[C@H]2CCCO2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430991848 858395837 /nfs/dbraw/zinc/39/58/37/858395837.db2.gz RBHLEAVSGZQECZ-BHDDXSALSA-N 0 0 408.473 4.107 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2nccs2)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431051743 858419299 /nfs/dbraw/zinc/41/92/99/858419299.db2.gz QFNMAKRCPIFJPB-PMACEKPBSA-N 0 0 403.507 4.294 20 30 HIEDRN N#CCC1(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)CC1 ZINC000431052992 858420727 /nfs/dbraw/zinc/42/07/27/858420727.db2.gz JVCZHGQFHAUZJA-UHFFFAOYSA-N 0 0 421.476 4.231 20 30 HIEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)cc1 ZINC000431141597 858467999 /nfs/dbraw/zinc/46/79/99/858467999.db2.gz XCUYRUPOIVZIDV-SFHVURJKSA-N 0 0 403.251 4.202 20 30 HIEDRN N#C[C@H](C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000431143728 858468750 /nfs/dbraw/zinc/46/87/50/858468750.db2.gz MZAOGGKAJLXBHH-LBPRGKRZSA-N 0 0 414.137 4.261 20 30 HIEDRN N#CCC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC1 ZINC000431148583 858471388 /nfs/dbraw/zinc/47/13/88/858471388.db2.gz YMTLMAHJJMXOBH-PMVMPFDFSA-N 0 0 415.537 4.423 20 30 HIEDRN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000431181817 858491232 /nfs/dbraw/zinc/49/12/32/858491232.db2.gz LJTRQKWWXKEHOF-LJQANCHMSA-N 0 0 424.476 4.354 20 30 HIEDRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)NCC2(CC#N)CC2)C3)cc1 ZINC000431192570 858496956 /nfs/dbraw/zinc/49/69/56/858496956.db2.gz HRKGYTCHISPJCW-UHFFFAOYSA-N 0 0 417.513 4.401 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000431240548 858524916 /nfs/dbraw/zinc/52/49/16/858524916.db2.gz XZMCVVZZQCPEGL-AUSJPIAWSA-N 0 0 413.436 4.069 20 30 HIEDRN C=CCn1c(SCc2ccc(OCC(F)(F)F)nc2)nnc1-c1ccncc1 ZINC000431244164 858526742 /nfs/dbraw/zinc/52/67/42/858526742.db2.gz HDYFNUXJPBGCOP-UHFFFAOYSA-N 0 0 407.421 4.155 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(-c2nc(CC)no2)ccc1C ZINC000431266018 858539148 /nfs/dbraw/zinc/53/91/48/858539148.db2.gz YNAZKSQNZQRAIL-UHFFFAOYSA-N 0 0 410.518 4.141 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1 ZINC000431290732 858549019 /nfs/dbraw/zinc/54/90/19/858549019.db2.gz NRULITADLHVDCY-FGZHOGPDSA-N 0 0 404.514 4.084 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000431326794 858566991 /nfs/dbraw/zinc/56/69/91/858566991.db2.gz DRNQSZFNPLZUHK-UHFFFAOYSA-N 0 0 422.944 4.156 20 30 HIEDRN C[C@H](c1ccccc1)N1CC(=O)N(C2CCC(Oc3ccccc3C#N)CC2)C1=O ZINC000431339071 858571653 /nfs/dbraw/zinc/57/16/53/858571653.db2.gz RITFDSBZZDOZHI-MDMXATFFSA-N 0 0 403.482 4.274 20 30 HIEDRN Cc1cccc([C@@H]2NC(=O)N(C3CCC(Oc4ccccc4C#N)CC3)C2=O)c1C ZINC000431341056 858572731 /nfs/dbraw/zinc/57/27/31/858572731.db2.gz YTLHTWCTOUOYOW-AJTFCVKESA-N 0 0 403.482 4.158 20 30 HIEDRN Cn1ccnc1C(=O)c1ccc(N[C@@H](CCCC#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000431502965 858647041 /nfs/dbraw/zinc/64/70/41/858647041.db2.gz UBSVRARHQRPBGZ-SFHVURJKSA-N 0 0 403.442 4.406 20 30 HIEDRN CN(C)c1cccc(CN(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000431561342 858670826 /nfs/dbraw/zinc/67/08/26/858670826.db2.gz PWPWEHRCYMARPY-UHFFFAOYSA-N 0 0 406.408 4.229 20 30 HIEDRN N#Cc1cnc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000431582598 858677325 /nfs/dbraw/zinc/67/73/25/858677325.db2.gz NBUPSPJDCAIKGM-OAHLLOKOSA-N 0 0 423.687 4.157 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)Nc1cccc(C#Cc3ccccc3)c1)C[C@H](C)O2 ZINC000431606179 858686512 /nfs/dbraw/zinc/68/65/12/858686512.db2.gz SPSGYZBNBAAABE-OHUGHZGNSA-N 0 0 404.510 4.277 20 30 HIEDRN COc1cc(Br)cc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431616891 858691872 /nfs/dbraw/zinc/69/18/72/858691872.db2.gz KBFPSMCLSJCKFB-SFHVURJKSA-N 0 0 423.332 4.171 20 30 HIEDRN Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431624321 858695902 /nfs/dbraw/zinc/69/59/02/858695902.db2.gz VSFUJSBAOGHHEO-KRWDZBQOSA-N 0 0 407.333 4.471 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)CCc1ccccc1Br)c1ccccc1 ZINC000431628036 858699116 /nfs/dbraw/zinc/69/91/16/858699116.db2.gz MIKOWBUBRWWPCQ-LJQANCHMSA-N 0 0 421.360 4.346 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000431632313 858701687 /nfs/dbraw/zinc/70/16/87/858701687.db2.gz XBUGZGWWUAPFET-GOSISDBHSA-N 0 0 407.417 4.291 20 30 HIEDRN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431635048 858702353 /nfs/dbraw/zinc/70/23/53/858702353.db2.gz JCHIIRLOQXGMIC-LJQANCHMSA-N 0 0 420.918 4.230 20 30 HIEDRN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431634811 858702699 /nfs/dbraw/zinc/70/26/99/858702699.db2.gz NYILCUVINVQBKC-IBGZPJMESA-N 0 0 409.914 4.180 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1 ZINC000431641971 858706903 /nfs/dbraw/zinc/70/69/03/858706903.db2.gz YIJWWMYKSGYIDT-QGZVFWFLSA-N 0 0 411.296 4.302 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000431650595 858713229 /nfs/dbraw/zinc/71/32/29/858713229.db2.gz VLHPFTULBXKYJL-QGZVFWFLSA-N 0 0 403.486 4.215 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2cccc(F)c2)c2ccccn2)C(=O)[C@H]1Cc1ccccc1 ZINC000431737162 858774634 /nfs/dbraw/zinc/77/46/34/858774634.db2.gz QTKVFTSGGFAZRJ-DHIUTWEWSA-N 0 0 415.468 4.372 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000431852300 858839643 /nfs/dbraw/zinc/83/96/43/858839643.db2.gz WDULXLSBYLIDEP-JOCHJYFZSA-N 0 0 414.465 4.397 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cccc(C#N)c1 ZINC000431907972 858865171 /nfs/dbraw/zinc/86/51/71/858865171.db2.gz WILQZKFJKSWOKP-NRFANRHFSA-N 0 0 413.449 4.032 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1cccc(C#N)c1 ZINC000431907973 858865319 /nfs/dbraw/zinc/86/53/19/858865319.db2.gz WILQZKFJKSWOKP-OAQYLSRUSA-N 0 0 413.449 4.032 20 30 HIEDRN N#Cc1cccc(CS(=O)(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000431909786 858865886 /nfs/dbraw/zinc/86/58/86/858865886.db2.gz AAKVJJXBMNZNDO-UHFFFAOYSA-N 0 0 419.717 4.017 20 30 HIEDRN CO[C@]1(C)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000431943433 858881337 /nfs/dbraw/zinc/88/13/37/858881337.db2.gz TZYUXQFWTBDTGC-HSZRJFAPSA-N 0 0 406.486 4.233 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000431976839 858898757 /nfs/dbraw/zinc/89/87/57/858898757.db2.gz HVKGQYNBSHFFHB-UUOWRZLLSA-N 0 0 421.497 4.461 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000431976837 858898775 /nfs/dbraw/zinc/89/87/75/858898775.db2.gz HVKGQYNBSHFFHB-KOSHJBKYSA-N 0 0 421.497 4.461 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000431993420 858910614 /nfs/dbraw/zinc/91/06/14/858910614.db2.gz ILIHKNHCFJFWNG-UHFFFAOYSA-N 0 0 404.297 4.206 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@]2(CCOC2)O1 ZINC000432059818 858958428 /nfs/dbraw/zinc/95/84/28/858958428.db2.gz BQKREZIFOJUTPV-WMZHIEFXSA-N 0 0 407.470 4.152 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CCCC[C@@H]2c2ccnn2C)cc1OC ZINC000467542466 881364804 /nfs/dbraw/zinc/36/48/04/881364804.db2.gz ZKGXIFNKXHAAPE-GOSISDBHSA-N 0 0 420.351 4.483 20 30 HIEDRN N#Cc1cc(NC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1F ZINC000432059753 858958776 /nfs/dbraw/zinc/95/87/76/858958776.db2.gz BFRYZVMLZHYGFD-UZUQRXQVSA-N 0 0 417.444 4.333 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000432099091 858987923 /nfs/dbraw/zinc/98/79/23/858987923.db2.gz PQCXLWBTGDHAAH-JJDSTIRJSA-N 0 0 403.548 4.129 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000432114757 858998081 /nfs/dbraw/zinc/99/80/81/858998081.db2.gz DOQFEVHUOQBRFW-MRXNPFEDSA-N 0 0 416.294 4.234 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000432117334 858999614 /nfs/dbraw/zinc/99/96/14/858999614.db2.gz SXDFFDFBPLCQCM-GFCCVEGCSA-N 0 0 407.312 4.462 20 30 HIEDRN CC1(C)CN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000432140850 859012300 /nfs/dbraw/zinc/01/23/00/859012300.db2.gz XYJWGRKVEGZBGK-INIZCTEOSA-N 0 0 406.364 4.237 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000432188320 859037876 /nfs/dbraw/zinc/03/78/76/859037876.db2.gz URKSGCSPZYLJRF-GOSISDBHSA-N 0 0 424.932 4.106 20 30 HIEDRN C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C1=O ZINC000432209353 859047074 /nfs/dbraw/zinc/04/70/74/859047074.db2.gz BEICPHXCQZCMDQ-DLBZAZTESA-N 0 0 408.351 4.477 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CC1 ZINC000432236610 859061530 /nfs/dbraw/zinc/06/15/30/859061530.db2.gz VPKQXIFJMWBHQC-UHFFFAOYSA-N 0 0 405.321 4.312 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432265749 859075061 /nfs/dbraw/zinc/07/50/61/859075061.db2.gz BGOKLOVAELIXOV-CQSZACIVSA-N 0 0 400.809 4.457 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000432285017 859085175 /nfs/dbraw/zinc/08/51/75/859085175.db2.gz MUXQYSOMRSANIS-OAHLLOKOSA-N 0 0 413.319 4.277 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCN(c2cccnn2)CC1 ZINC000467558159 881381436 /nfs/dbraw/zinc/38/14/36/881381436.db2.gz RUPDKSWFHHWKTA-MRXNPFEDSA-N 0 0 410.547 4.004 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000432325838 859104336 /nfs/dbraw/zinc/10/43/36/859104336.db2.gz MURKENYPSRGMKY-UHFFFAOYSA-N 0 0 405.767 4.372 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000432330930 859107061 /nfs/dbraw/zinc/10/70/61/859107061.db2.gz HGRDHTPEDIHIID-DEOSSOPVSA-N 0 0 405.317 4.156 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000432338158 859108848 /nfs/dbraw/zinc/10/88/48/859108848.db2.gz UZFKHYJLSPUIAL-IBGZPJMESA-N 0 0 407.367 4.226 20 30 HIEDRN CC(C)Cn1c(SCC(=O)N[C@@H](C)C#N)nnc1-c1ccc(Cl)cc1Cl ZINC000432349787 859114991 /nfs/dbraw/zinc/11/49/91/859114991.db2.gz BKKTVOLBMTWXMI-NSHDSACASA-N 0 0 412.346 4.028 20 30 HIEDRN Cn1c2ccccc2n2c(SCC(=O)c3cn(CCC#N)c4ccccc34)nnc12 ZINC000432370695 859126831 /nfs/dbraw/zinc/12/68/31/859126831.db2.gz AVKVNYSBULHBEI-UHFFFAOYSA-N 0 0 414.494 4.064 20 30 HIEDRN Cn1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cc(F)ccc21 ZINC000432376868 859131202 /nfs/dbraw/zinc/13/12/02/859131202.db2.gz GDIJZXRWXRKRGI-UHFFFAOYSA-N 0 0 404.445 4.153 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432394987 859144166 /nfs/dbraw/zinc/14/41/66/859144166.db2.gz MNDULCKICHGFKF-QGZVFWFLSA-N 0 0 404.514 4.200 20 30 HIEDRN N#Cc1cscc1C(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000432403858 859147273 /nfs/dbraw/zinc/14/72/73/859147273.db2.gz SUYOMHDPURGUQO-UHFFFAOYSA-N 0 0 411.527 4.445 20 30 HIEDRN C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000432434507 859162817 /nfs/dbraw/zinc/16/28/17/859162817.db2.gz NKKBGNAZKWDUGM-QFIPXVFZSA-N 0 0 423.879 4.732 20 30 HIEDRN C=CCN(C(=O)c1cccc(OCC(F)(F)F)c1)c1nc(C(=O)OCC)cs1 ZINC000432439769 859165321 /nfs/dbraw/zinc/16/53/21/859165321.db2.gz DBQCYIDERSLAGF-UHFFFAOYSA-N 0 0 414.405 4.094 20 30 HIEDRN Cc1c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000432458325 859172978 /nfs/dbraw/zinc/17/29/78/859172978.db2.gz FKIDZBSWUULRDX-HXUWFJFHSA-N 0 0 403.486 4.041 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000432520461 859205146 /nfs/dbraw/zinc/20/51/46/859205146.db2.gz RFFLTOBLTMOSOS-UHFFFAOYSA-N 0 0 423.523 4.308 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000432553980 859224330 /nfs/dbraw/zinc/22/43/30/859224330.db2.gz RHRUPXRASXKIGI-UHFFFAOYSA-N 0 0 404.436 4.382 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432601172 859248215 /nfs/dbraw/zinc/24/82/15/859248215.db2.gz LRBBWDFUKDEBSO-RDTXWAMCSA-N 0 0 404.495 4.284 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000432603680 859250518 /nfs/dbraw/zinc/25/05/18/859250518.db2.gz WEKUBGCJGUGQPO-AUSIDOKSSA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1cc(NC(=O)N(CCCO)Cc2ccccn2)ccc1Oc1ccccc1 ZINC000432607326 859252868 /nfs/dbraw/zinc/25/28/68/859252868.db2.gz NJFRPVPNZSQLHZ-UHFFFAOYSA-N 0 0 402.454 4.162 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432676473 859285465 /nfs/dbraw/zinc/28/54/65/859285465.db2.gz AVJWMFRNVDKZNA-UHFFFAOYSA-N 0 0 415.449 4.420 20 30 HIEDRN CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3cccc(C#N)c3)c2)[nH]c1=O ZINC000432693803 859299253 /nfs/dbraw/zinc/29/92/53/859299253.db2.gz KEYDGPWVUARKPK-YBEGLDIGSA-N 0 0 415.449 4.370 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)N[C@H](c3cc(F)ccc3F)C(F)F)CC2)cc1 ZINC000432723733 859319751 /nfs/dbraw/zinc/31/97/51/859319751.db2.gz BZRGDBQWWMQODH-LJQANCHMSA-N 0 0 421.394 4.396 20 30 HIEDRN CC(C)c1nc2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2s1 ZINC000432753712 859336031 /nfs/dbraw/zinc/33/60/31/859336031.db2.gz FOVKYZDJXAXGGS-INIZCTEOSA-N 0 0 407.499 4.372 20 30 HIEDRN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432761531 859340379 /nfs/dbraw/zinc/34/03/79/859340379.db2.gz VDJFEFLWCLNDBO-UHFFFAOYSA-N 0 0 420.332 4.030 20 30 HIEDRN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432781746 859357531 /nfs/dbraw/zinc/35/75/31/859357531.db2.gz STLCUWQXMFBPGK-UHFFFAOYSA-N 0 0 418.272 4.085 20 30 HIEDRN C=CCCCCCN(C)C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 ZINC000432821467 859374500 /nfs/dbraw/zinc/37/45/00/859374500.db2.gz JZBSEDPCCPIFNL-UHFFFAOYSA-N 0 0 416.547 4.234 20 30 HIEDRN Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc(C#N)c4C)CC3)c2c1C ZINC000432838328 859381445 /nfs/dbraw/zinc/38/14/45/859381445.db2.gz CZURPRSUWHGPLM-UHFFFAOYSA-N 0 0 405.527 4.343 20 30 HIEDRN Cc1nnsc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000432852124 859389082 /nfs/dbraw/zinc/38/90/82/859389082.db2.gz MEAPKKHGTPXPGQ-UHFFFAOYSA-N 0 0 413.890 4.272 20 30 HIEDRN COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(C#N)cc(N(C)C)c4)CC3)c2c1 ZINC000432884205 859407740 /nfs/dbraw/zinc/40/77/40/859407740.db2.gz MQDNWNWGKJLUQJ-UHFFFAOYSA-N 0 0 402.498 4.134 20 30 HIEDRN Cc1cccc(CN(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C ZINC000432912885 859426931 /nfs/dbraw/zinc/42/69/31/859426931.db2.gz XSZKZRBCKRCYHS-UHFFFAOYSA-N 0 0 423.567 4.983 20 30 HIEDRN COc1ccc(Br)cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000432916078 859428058 /nfs/dbraw/zinc/42/80/58/859428058.db2.gz MISOZCVPYWENFN-ZBFHGGJFSA-N 0 0 400.276 4.229 20 30 HIEDRN CCCOc1ccc(Cl)cc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000432921128 859431514 /nfs/dbraw/zinc/43/15/14/859431514.db2.gz ZCCMZDDWGITXKT-MRXNPFEDSA-N 0 0 400.866 4.081 20 30 HIEDRN C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432962580 859451101 /nfs/dbraw/zinc/45/11/01/859451101.db2.gz XCNZSPUUOBGTSI-LLVKDONJSA-N 0 0 409.330 4.010 20 30 HIEDRN 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HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2cccc3ccccc32)cc1C#N ZINC000435500021 860824361 /nfs/dbraw/zinc/82/43/61/860824361.db2.gz IMXHXFMXGZBPPR-UHFFFAOYSA-N 0 0 401.466 4.096 20 30 HIEDRN C=CCN(C(=O)[C@H](C)Oc1cccc2ccccc21)c1nc(C(=O)OCC)cs1 ZINC000435524152 860841465 /nfs/dbraw/zinc/84/14/65/860841465.db2.gz DAXATOQZAVFMRM-HNNXBMFYSA-N 0 0 410.495 4.460 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@H]1CCOC[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000435532358 860848425 /nfs/dbraw/zinc/84/84/25/860848425.db2.gz QHOXSRSAOBMZAA-NQIIRXRSSA-N 0 0 423.509 4.228 20 30 HIEDRN CCCCNC(=O)c1ccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000435559036 860878539 /nfs/dbraw/zinc/87/85/39/860878539.db2.gz XYVCUTXFBAFDQL-UHFFFAOYSA-N 0 0 408.502 4.197 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1C#N ZINC000435565427 860887106 /nfs/dbraw/zinc/88/71/06/860887106.db2.gz LBAANGHWXQCORY-UHFFFAOYSA-N 0 0 407.518 4.298 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] ZINC000435584219 860896914 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CCOCCOCc1cccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000438641288 864077872 /nfs/dbraw/zinc/07/78/72/864077872.db2.gz KZMSBPJVBAGVAO-UHFFFAOYSA-N 0 0 421.419 4.452 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000438645555 864084674 /nfs/dbraw/zinc/08/46/74/864084674.db2.gz DJUVDKKRHFBAPC-VWLOTQADSA-N 0 0 411.505 4.347 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCc2nccn2C(F)F)cc1F ZINC000438651769 864092426 /nfs/dbraw/zinc/09/24/26/864092426.db2.gz BFWSRAFCEWTQNT-UHFFFAOYSA-N 0 0 401.348 4.403 20 30 HIEDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 ZINC000438656757 864101518 /nfs/dbraw/zinc/10/15/18/864101518.db2.gz PCBUVUGANVRJPB-CQSZACIVSA-N 0 0 422.451 4.079 20 30 HIEDRN CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000438661448 864110411 /nfs/dbraw/zinc/11/04/11/864110411.db2.gz OPCAALBEHWVEOC-INIZCTEOSA-N 0 0 411.433 4.297 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000438662714 864113465 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C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)c2)C1 ZINC000438720218 864201713 /nfs/dbraw/zinc/20/17/13/864201713.db2.gz GIDZFJJVMVUTQQ-MGPUTAFESA-N 0 0 409.461 4.370 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)c2csc(S(C)(=O)=O)c2)C(C)(C)C)cc1 ZINC000467878217 881740331 /nfs/dbraw/zinc/74/03/31/881740331.db2.gz SVWWHTXGAOBLQK-UHFFFAOYSA-N 0 0 407.557 4.157 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CCCc1ccc(Cl)cc1 ZINC000438740806 864226397 /nfs/dbraw/zinc/22/63/97/864226397.db2.gz YETZSNKEHKJWKP-UHFFFAOYSA-N 0 0 415.946 4.115 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@H](CC)c1ccc(F)cc1F ZINC000438751345 864241896 /nfs/dbraw/zinc/24/18/96/864241896.db2.gz DGOFTSPQBAQMLO-LJQANCHMSA-N 0 0 417.481 4.258 20 30 HIEDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000438761140 864256259 /nfs/dbraw/zinc/25/62/59/864256259.db2.gz ZWAHEEPEFCXFPV-NXEZZACHSA-N 0 0 414.321 4.268 20 30 HIEDRN CC(C)N(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000438772660 864267722 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C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000438838829 864332624 /nfs/dbraw/zinc/33/26/24/864332624.db2.gz UFQJFTCWSVCIGJ-IIBYNOLFSA-N 0 0 405.502 4.376 20 30 HIEDRN COc1ccc(Br)c(CNC(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000438841248 864335042 /nfs/dbraw/zinc/33/50/42/864335042.db2.gz KZVMFHWDJDTDFX-SFHVURJKSA-N 0 0 402.292 4.302 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1)c1ccccc1 ZINC000438843121 864336199 /nfs/dbraw/zinc/33/61/99/864336199.db2.gz USQMAHPCZPGOIL-QFIPXVFZSA-N 0 0 410.562 4.246 20 30 HIEDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000438852266 864347099 /nfs/dbraw/zinc/34/70/99/864347099.db2.gz MVGHVHCCVSOBSK-WXVUKLJWSA-N 0 0 419.573 4.265 20 30 HIEDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)N[C@@H](CCC#N)c2ccccc2)n1 ZINC000438853292 864348705 /nfs/dbraw/zinc/34/87/05/864348705.db2.gz UHQRTPLFRXPUSQ-QAPCUYQASA-N 0 0 405.458 4.150 20 30 HIEDRN N#CCC[C@H](NC(=O)NCc1cccc(COC2CCOCC2)c1)c1ccccc1 ZINC000438861183 864354787 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20 30 HIEDRN C=CCOc1ccc(/C=C\c2nc(-c3cccc(N4CCC4=O)c3)no2)cc1OC ZINC000438925609 864404944 /nfs/dbraw/zinc/40/49/44/864404944.db2.gz LHRQUQVACLLSHL-NTMALXAHSA-N 0 0 403.438 4.217 20 30 HIEDRN Cc1cc(C(=O)NCc2cc(Br)ccc2C)nn1-c1cccc(C#N)c1 ZINC000438926611 864406556 /nfs/dbraw/zinc/40/65/56/864406556.db2.gz CTTWDJRQGHTKKV-UHFFFAOYSA-N 0 0 409.287 4.053 20 30 HIEDRN N#CCC[C@H](NS(=O)(=O)c1cc(Br)sc1Cl)c1ccccc1 ZINC000438948546 864420888 /nfs/dbraw/zinc/42/08/88/864420888.db2.gz OXTYCEXPVJVFNV-NSHDSACASA-N 0 0 419.753 4.487 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3cccc(C(=O)NC4CC4)c3)cc2)c1 ZINC000438962709 864431706 /nfs/dbraw/zinc/43/17/06/864431706.db2.gz RJFIGTWDGRYGPK-UHFFFAOYSA-N 0 0 411.461 4.282 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCc2ncnn2-c2ccccc2)cc1 ZINC000467901578 881765462 /nfs/dbraw/zinc/76/54/62/881765462.db2.gz QIFIAXUVXFGBST-UHFFFAOYSA-N 0 0 411.490 4.220 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000439003921 864457361 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4.030 20 30 HIEDRN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000439145742 864577804 /nfs/dbraw/zinc/57/78/04/864577804.db2.gz KENADRWAPANRLL-UHFFFAOYSA-N 0 0 409.894 4.396 20 30 HIEDRN COCCN(C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc(C#N)cc1 ZINC000439158847 864589178 /nfs/dbraw/zinc/58/91/78/864589178.db2.gz PZEQYFOJIIBFRV-UHFFFAOYSA-N 0 0 418.415 4.459 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000439161475 864592206 /nfs/dbraw/zinc/59/22/06/864592206.db2.gz NVJSUYVWOBYAHL-INIZCTEOSA-N 0 0 405.326 4.380 20 30 HIEDRN CC(C)n1cnnc1[C@H]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000439167670 864596931 /nfs/dbraw/zinc/59/69/31/864596931.db2.gz JJRYOVXMGACNEB-LBPRGKRZSA-N 0 0 400.408 4.080 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000467916288 881785602 /nfs/dbraw/zinc/78/56/02/881785602.db2.gz PUHVLAUSFPIRQE-FQEVSTJZSA-N 0 0 411.527 4.168 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000439210088 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ZINC000439429617 864829035 /nfs/dbraw/zinc/82/90/35/864829035.db2.gz IHWGRSYYHYMTFY-QFIPXVFZSA-N 0 0 404.514 4.167 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1)c1ccccc1 ZINC000439431887 864829950 /nfs/dbraw/zinc/82/99/50/864829950.db2.gz AEEVWAINFJEZBK-GOSISDBHSA-N 0 0 403.404 4.281 20 30 HIEDRN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000439440074 864832000 /nfs/dbraw/zinc/83/20/00/864832000.db2.gz PMYYVGRIHLEEGU-HNNXBMFYSA-N 0 0 404.967 4.083 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1)c1ccccc1 ZINC000439457074 864838556 /nfs/dbraw/zinc/83/85/56/864838556.db2.gz PSSMGRIXHLMMQR-JOCHJYFZSA-N 0 0 411.461 4.017 20 30 HIEDRN Cn1c(SCc2ccc(C#N)cc2OC(F)F)nc2sc3c(c2c1=O)CCC3 ZINC000439516891 864860458 /nfs/dbraw/zinc/86/04/58/864860458.db2.gz GBFXMYRFUOTHHR-UHFFFAOYSA-N 0 0 419.478 4.249 20 30 HIEDRN Cc1sc2nc(SCc3ccc(C#N)cc3OC(F)F)n(C)c(=O)c2c1C ZINC000439517769 864860517 /nfs/dbraw/zinc/86/05/17/864860517.db2.gz GAJWCVUOYUOEGX-UHFFFAOYSA-N 0 0 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864987744 /nfs/dbraw/zinc/98/77/44/864987744.db2.gz AEBIUVIFHCYAII-QFIPXVFZSA-N 0 0 403.486 4.206 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](C)Cc2cccc(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000439664023 864993132 /nfs/dbraw/zinc/99/31/32/864993132.db2.gz DRSPTXUTOWAEPT-KRWDZBQOSA-N 0 0 417.513 4.458 20 30 HIEDRN CCCc1c(NC(=O)NCc2cccc(OCC)c2)cnn1-c1cccc(C#N)c1 ZINC000439664416 864994511 /nfs/dbraw/zinc/99/45/11/864994511.db2.gz FVMDEXVDOHJGMK-UHFFFAOYSA-N 0 0 403.486 4.417 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439669131 865000008 /nfs/dbraw/zinc/00/00/08/865000008.db2.gz OQXMGOUGFNOBIB-AVRDEDQJSA-N 0 0 409.534 4.269 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439669133 865001303 /nfs/dbraw/zinc/00/13/03/865001303.db2.gz OQXMGOUGFNOBIB-PGRDOPGGSA-N 0 0 409.534 4.269 20 30 HIEDRN CCCc1c(NC(=O)Nc2cc(C)n([C@@H](C)CC)n2)cnn1-c1cccc(C#N)c1 ZINC000439673567 865006178 /nfs/dbraw/zinc/00/61/78/865006178.db2.gz NOCQEZAOVACNNG-HNNXBMFYSA-N 0 0 405.506 4.816 20 30 HIEDRN CCCc1c(NC(=O)NCc2ccc(F)c(COC)c2)cnn1-c1cccc(C#N)c1 ZINC000439675090 865008296 /nfs/dbraw/zinc/00/82/96/865008296.db2.gz QRRNYLQEKGXCEA-UHFFFAOYSA-N 0 0 421.476 4.304 20 30 HIEDRN N#CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000439676589 865011248 /nfs/dbraw/zinc/01/12/48/865011248.db2.gz XQSIBCUYYLZVFM-QGZVFWFLSA-N 0 0 402.248 4.061 20 30 HIEDRN N#Cc1cc(N(C#N)CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)ccc1F ZINC000439694403 865030945 /nfs/dbraw/zinc/03/09/45/865030945.db2.gz IKFXKTZTJXDTPP-QHCPKHFHSA-N 0 0 410.452 4.159 20 30 HIEDRN N#Cc1ccccc1SCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000439704904 865042412 /nfs/dbraw/zinc/04/24/12/865042412.db2.gz GWBSNLLQWPLHGD-UHFFFAOYSA-N 0 0 401.535 4.148 20 30 HIEDRN CCCc1c(NC(=O)N2CCC3(CCOCC3)[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706620 865044217 /nfs/dbraw/zinc/04/42/17/865044217.db2.gz WFBIQZKPXOOJPW-QGZVFWFLSA-N 0 0 407.518 4.119 20 30 HIEDRN N#Cc1cc(N(C#N)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)ccc1F ZINC000439711517 865049460 /nfs/dbraw/zinc/04/94/60/865049460.db2.gz UDBKUDXYKMAGHT-SFHVURJKSA-N 0 0 419.441 4.017 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)CN(C#N)c2ccc(F)c(C#N)c2)n(-c2ccccc2)n1 ZINC000439715836 865051633 /nfs/dbraw/zinc/05/16/33/865051633.db2.gz GFWIYWQVAUFOGP-UHFFFAOYSA-N 0 0 416.460 4.107 20 30 HIEDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000439779141 865102327 /nfs/dbraw/zinc/10/23/27/865102327.db2.gz CAWGHBXCIDQETR-MBSDFSHPSA-N 0 0 422.598 4.378 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C3CCCCC3)C(F)(F)F)C2)n1 ZINC000439832304 865147408 /nfs/dbraw/zinc/14/74/08/865147408.db2.gz RMSIIOLYEYWDSH-QZTJIDSGSA-N 0 0 408.468 4.106 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1c(F)cccc1I)c1ccccc1 ZINC000440033657 865317342 /nfs/dbraw/zinc/31/73/42/865317342.db2.gz DHXCTQSNOSXYIM-OAHLLOKOSA-N 0 0 408.214 4.205 20 30 HIEDRN C=CCN(C(=O)NCc1cc(C(CC)CC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000440033733 865318669 /nfs/dbraw/zinc/31/86/69/865318669.db2.gz ZMOLYTRJOXYQBC-MRXNPFEDSA-N 0 0 423.521 4.013 20 30 HIEDRN CN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C#N)cc1 ZINC000440054225 865328343 /nfs/dbraw/zinc/32/83/43/865328343.db2.gz UIKDNFNPTGAWOK-UHFFFAOYSA-N 0 0 415.415 4.092 20 30 HIEDRN CCCc1c(NC(=O)c2cc3c(C)nn(C)c3s2)cnn1-c1cccc(C#N)c1 ZINC000440066981 865334490 /nfs/dbraw/zinc/33/44/90/865334490.db2.gz DOIBJXHRJBAVPG-UHFFFAOYSA-N 0 0 404.499 4.205 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N(c2cccc(N)c2)C2CCCC2)cc1C(F)(F)F ZINC000440065282 865334880 /nfs/dbraw/zinc/33/48/80/865334880.db2.gz VAPYXXGISGYFDC-UHFFFAOYSA-N 0 0 416.403 4.074 20 30 HIEDRN CCCc1c(NC(=O)c2cccnc2OCC(C)C)cnn1-c1cccc(C#N)c1 ZINC000440068007 865336054 /nfs/dbraw/zinc/33/60/54/865336054.db2.gz BGXBDIRCPJCDKT-UHFFFAOYSA-N 0 0 403.486 4.379 20 30 HIEDRN CCCc1c(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440072744 865338403 /nfs/dbraw/zinc/33/84/03/865338403.db2.gz OEAOPTTUCIRAQJ-DEOSSOPVSA-N 0 0 413.525 4.300 20 30 HIEDRN CCCc1c(NC(=O)[C@H](C)OCc2cccc(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000440073966 865339837 /nfs/dbraw/zinc/33/98/37/865339837.db2.gz GSNCKMNPOBANPG-KRWDZBQOSA-N 0 0 418.497 4.249 20 30 HIEDRN CCCc1c(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000440077298 865342843 /nfs/dbraw/zinc/34/28/43/865342843.db2.gz VTKSGXYUGHULAZ-OAQYLSRUSA-N 0 0 421.545 4.062 20 30 HIEDRN CCCc1c(NC(=O)c2cnc3onc(CC)c3c2)cnn1-c1cccc(C#N)c1 ZINC000440080152 865344029 /nfs/dbraw/zinc/34/40/29/865344029.db2.gz PMYXCNRBOYNMTP-UHFFFAOYSA-N 0 0 400.442 4.047 20 30 HIEDRN CCC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)C(=O)N1CCc2sccc2C1 ZINC000440081532 865345446 /nfs/dbraw/zinc/34/54/46/865345446.db2.gz SMHKAVMAZWESQL-UXHICEINSA-N 0 0 424.570 4.146 20 30 HIEDRN CC(C)[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1nc(-c2ccncc2)no1 ZINC000440084395 865347308 /nfs/dbraw/zinc/34/73/08/865347308.db2.gz ZXRYZHPHIUGMCX-RBUKOAKNSA-N 0 0 404.474 4.173 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)ccc1Cl ZINC000440089682 865351850 /nfs/dbraw/zinc/35/18/50/865351850.db2.gz 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N#CCC[C@@H](NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000440241744 865479213 /nfs/dbraw/zinc/47/92/13/865479213.db2.gz MCWWHEYBZXHUNX-OAQYLSRUSA-N 0 0 405.502 4.027 20 30 HIEDRN C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000440245625 865483276 /nfs/dbraw/zinc/48/32/76/865483276.db2.gz RNMGNPABKRVYRH-HNNXBMFYSA-N 0 0 418.440 4.373 20 30 HIEDRN N#CCC[C@H](NC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000440247697 865484809 /nfs/dbraw/zinc/48/48/09/865484809.db2.gz YPACKJUHZORHSR-XLIONFOSSA-N 0 0 419.447 4.201 20 30 HIEDRN CN(C)C(=O)C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)c2ccc(Cl)cc21 ZINC000440248102 865486040 /nfs/dbraw/zinc/48/60/40/865486040.db2.gz YUXKKJQMTRTJFC-XLIONFOSSA-N 0 0 424.932 4.477 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1 ZINC000440254176 865499440 /nfs/dbraw/zinc/49/94/40/865499440.db2.gz JWRPGDDGIIPTJG-IBGZPJMESA-N 0 0 403.486 4.133 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 ZINC000440299959 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C=CCC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000441553101 866629686 /nfs/dbraw/zinc/62/96/86/866629686.db2.gz BZWDVFFWRMRIBR-LJQANCHMSA-N 0 0 415.419 4.047 20 30 HIEDRN C=CCC[C@H](NC(=O)Cn1cc(Br)cn1)c1ccc(C(F)(F)F)cc1 ZINC000441560333 866636503 /nfs/dbraw/zinc/63/65/03/866636503.db2.gz WKRSFAKKIFCNKX-HNNXBMFYSA-N 0 0 416.241 4.488 20 30 HIEDRN CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000441561813 866637929 /nfs/dbraw/zinc/63/79/29/866637929.db2.gz AMDSCMGSBWOEHA-SFHVURJKSA-N 0 0 403.404 4.419 20 30 HIEDRN O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)Nc1ccccc1CC(F)(F)F ZINC000441570619 866654002 /nfs/dbraw/zinc/65/40/02/866654002.db2.gz UHYVKQDGMOBAPA-UHFFFAOYSA-N 0 0 422.300 4.204 20 30 HIEDRN C=CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000441585631 866674878 /nfs/dbraw/zinc/67/48/78/866674878.db2.gz CIUBEZKKPRCESE-HKUYNNGSSA-N 0 0 408.464 4.478 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(C)c(C)c2ncccc12 ZINC000441689933 866806925 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N#Cc1ccccc1NC(=O)CCCC(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000468526278 882541659 /nfs/dbraw/zinc/54/16/59/882541659.db2.gz CGWWNKDTDUTACP-UHFFFAOYSA-N 0 0 409.330 4.010 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1NCc1nc(-c2cccc(Br)c2)no1 ZINC000447819344 871748667 /nfs/dbraw/zinc/74/86/67/871748667.db2.gz ZJIPXAHPAKSSLN-UHFFFAOYSA-N 0 0 424.180 4.397 20 30 HIEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447852522 871770819 /nfs/dbraw/zinc/77/08/19/871770819.db2.gz APGIUQHHPCZGGL-GOTSBHOMSA-N 0 0 413.525 4.260 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000447856153 871773568 /nfs/dbraw/zinc/77/35/68/871773568.db2.gz YJIPVSLDOGQCTG-FQEVSTJZSA-N 0 0 419.422 4.253 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447862130 871782426 /nfs/dbraw/zinc/78/24/26/871782426.db2.gz FPBLGPLMAWWEIN-CRAIPNDOSA-N 0 0 412.408 4.305 20 30 HIEDRN CC(C)(N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000447889502 871803330 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C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000460386542 873030827 /nfs/dbraw/zinc/03/08/27/873030827.db2.gz KRQINDMYVQIESP-KKSFZXQISA-N 0 0 408.525 4.442 20 30 HIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCc2ccc(Br)cc2C1 ZINC000460390656 873037540 /nfs/dbraw/zinc/03/75/40/873037540.db2.gz SWGUUXXGEVQUIM-UHFFFAOYSA-N 0 0 410.319 4.241 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](COC)C1 ZINC000460393485 873040994 /nfs/dbraw/zinc/04/09/94/873040994.db2.gz JLNFKJFPULBGKT-ROUUACIJSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(CCOC)Cc1ccco1 ZINC000460394365 873043272 /nfs/dbraw/zinc/04/32/72/873043272.db2.gz NAMHNKRKEZLMDV-FCHUYYIVSA-N 0 0 422.529 4.345 20 30 HIEDRN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(CCc1nccs1)C(C)C ZINC000460395295 873043645 /nfs/dbraw/zinc/04/36/45/873043645.db2.gz RSJVXMZBSQPFSO-IBGZPJMESA-N 0 0 409.559 4.444 20 30 HIEDRN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(CCc1nccs1)C(C)C ZINC000460395296 873044045 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COc1ccc2c(c1)N(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)C[C@@H](C)O2 ZINC000460480219 873166211 /nfs/dbraw/zinc/16/62/11/873166211.db2.gz MIUJYPKLBUVGFW-OAHLLOKOSA-N 0 0 401.422 4.182 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N(CC)[C@@H](CC)Cc3ccc(C)cc3)cc2C1=O ZINC000460523728 873214433 /nfs/dbraw/zinc/21/44/33/873214433.db2.gz KTFODPHBWGPZSW-FQEVSTJZSA-N 0 0 404.510 4.260 20 30 HIEDRN COc1cccc(O[C@H](C)CNC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC000460530165 873224500 /nfs/dbraw/zinc/22/45/00/873224500.db2.gz QIKSGPHGJDWGIQ-GOSISDBHSA-N 0 0 416.477 4.343 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC000460543616 873245042 /nfs/dbraw/zinc/24/50/42/873245042.db2.gz JIJNICGJSRUNOO-GOSISDBHSA-N 0 0 423.542 4.399 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000460543637 873245186 /nfs/dbraw/zinc/24/51/86/873245186.db2.gz JKOABAHYCFEWLO-INIZCTEOSA-N 0 0 409.563 4.202 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCCC)c(=O)c3ccccc32)nnc1N1CCC[C@H]1C ZINC000460546460 873250143 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20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCn2ccnc2C1 ZINC000460566365 873296723 /nfs/dbraw/zinc/29/67/23/873296723.db2.gz RMVKYMIXLFVDHL-SFHVURJKSA-N 0 0 414.513 4.364 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000460565985 873297163 /nfs/dbraw/zinc/29/71/63/873297163.db2.gz JBKPYCNSCYEQDC-UHFFFAOYSA-N 0 0 411.550 4.042 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000460566991 873299026 /nfs/dbraw/zinc/29/90/26/873299026.db2.gz UVEYKEHGEMQRAT-CVEARBPZSA-N 0 0 416.488 4.137 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000460567599 873299047 /nfs/dbraw/zinc/29/90/47/873299047.db2.gz OXNAEMZRRNLPKO-HXUWFJFHSA-N 0 0 419.529 4.151 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000460567350 873299266 /nfs/dbraw/zinc/29/92/66/873299266.db2.gz XEUZOCVRBFTLPZ-QFIPXVFZSA-N 0 0 419.529 4.489 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](C)CC1 ZINC000460567182 873299303 /nfs/dbraw/zinc/29/93/03/873299303.db2.gz OAWAACYYOFPWTH-GOSISDBHSA-N 0 0 420.561 4.438 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000460568709 873301394 /nfs/dbraw/zinc/30/13/94/873301394.db2.gz YKMZQEVTSMETDE-NRFANRHFSA-N 0 0 424.932 4.382 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC000460572234 873307053 /nfs/dbraw/zinc/30/70/53/873307053.db2.gz AXTHCPVAKPFWKC-UHFFFAOYSA-N 0 0 415.497 4.420 20 30 HIEDRN C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)Cc1ccon1 ZINC000460572763 873307315 /nfs/dbraw/zinc/30/73/15/873307315.db2.gz JVGVDQVFOTVTPP-UHFFFAOYSA-N 0 0 415.925 4.452 20 30 HIEDRN CC(C)Cn1c(-c2ccccc2Br)nnc1N(CCC#N)CC1CC1 ZINC000460583900 873320355 /nfs/dbraw/zinc/32/03/55/873320355.db2.gz HEWUTNHLVOVOAX-UHFFFAOYSA-N 0 0 402.340 4.494 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H]2CCC[C@H]21 ZINC000460584742 873322126 /nfs/dbraw/zinc/32/21/26/873322126.db2.gz OMBOHIAQGNGSNU-AEFFLSMTSA-N 0 0 423.344 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C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000460779759 873634630 /nfs/dbraw/zinc/63/46/30/873634630.db2.gz VCRWRKDCZGWHBR-GOSISDBHSA-N 0 0 403.486 4.295 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C#N)(COC)CC1 ZINC000460781186 873636055 /nfs/dbraw/zinc/63/60/55/873636055.db2.gz SRPSUIZPCWLVFM-UHFFFAOYSA-N 0 0 419.451 4.297 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(cccc2OC)C1 ZINC000460782923 873640504 /nfs/dbraw/zinc/64/05/04/873640504.db2.gz KBERVMJRRWNJTO-UHFFFAOYSA-N 0 0 420.513 4.110 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](c2nncn2CC)C1 ZINC000460782875 873640678 /nfs/dbraw/zinc/64/06/78/873640678.db2.gz NYWMCSXYNQEQAK-QGZVFWFLSA-N 0 0 411.941 4.170 20 30 HIEDRN C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000460785724 873644528 /nfs/dbraw/zinc/64/45/28/873644528.db2.gz VQGMMWPZCZSOQT-ZWKOTPCHSA-N 0 0 406.452 4.138 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000460790043 873652376 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873675348 /nfs/dbraw/zinc/67/53/48/873675348.db2.gz DSWNSCHPBOEJQX-FCHUYYIVSA-N 0 0 403.530 4.439 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000460803224 873677259 /nfs/dbraw/zinc/67/72/59/873677259.db2.gz JJTLPSPNZHNUKX-HZPDHXFCSA-N 0 0 424.574 4.280 20 30 HIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000460804442 873678862 /nfs/dbraw/zinc/67/88/62/873678862.db2.gz NOQBHVYVSHKCDQ-ZWKOTPCHSA-N 0 0 406.452 4.453 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000460805494 873681233 /nfs/dbraw/zinc/68/12/33/873681233.db2.gz RXYQQNDXKDXVOM-BAGYTPMASA-N 0 0 422.573 4.495 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000460809878 873686983 /nfs/dbraw/zinc/68/69/83/873686983.db2.gz BMEKIQHZYHFVGA-FCEWJHQRSA-N 0 0 404.518 4.185 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000460810527 873688432 /nfs/dbraw/zinc/68/84/32/873688432.db2.gz CWMQMARIPPUPTD-UTKZUKDTSA-N 0 0 422.554 4.122 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCCC[C@H]1C ZINC000460811172 873690847 /nfs/dbraw/zinc/69/08/47/873690847.db2.gz GMFMYHSQKAHFJN-QGZVFWFLSA-N 0 0 406.534 4.020 20 30 HIEDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000460826802 873713332 /nfs/dbraw/zinc/71/33/32/873713332.db2.gz DFWSHLAXYLDEBU-KKSFZXQISA-N 0 0 415.921 4.146 20 30 HIEDRN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000460840743 873729890 /nfs/dbraw/zinc/72/98/90/873729890.db2.gz DGMNPEDHICXINR-UHFFFAOYSA-N 0 0 402.422 4.465 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(=O)c(Br)c3)cc2)cc1 ZINC000460849646 873747502 /nfs/dbraw/zinc/74/75/02/873747502.db2.gz XFURNOOGQPDIQS-UHFFFAOYSA-N 0 0 410.227 4.466 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000460888988 873801198 /nfs/dbraw/zinc/80/11/98/873801198.db2.gz HLDKSZYFDANXRS-CXMBCZLWSA-N 0 0 401.308 4.299 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C[C@@H]2CCCO2)cc1 ZINC000460899595 873808668 /nfs/dbraw/zinc/80/86/68/873808668.db2.gz LZONCZOKKYLJOH-OALUTQOASA-N 0 0 405.527 4.399 20 30 HIEDRN N#Cc1ccc(CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCO2)C2CC2)cc1 ZINC000460913426 873819776 /nfs/dbraw/zinc/81/97/76/873819776.db2.gz WTOQNITXGCUNCF-NRFANRHFSA-N 0 0 419.554 4.150 20 30 HIEDRN C[C@@H](c1ccc(F)cc1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000460918088 873823723 /nfs/dbraw/zinc/82/37/23/873823723.db2.gz PXZWIPYYUSBXHP-KKSFZXQISA-N 0 0 405.477 4.332 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCO2)c1 ZINC000460923488 873828349 /nfs/dbraw/zinc/82/83/49/873828349.db2.gz DFSQLNXLRYOBGZ-RBUKOAKNSA-N 0 0 411.550 4.206 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(Br)c2)nnc1N(C)[C@@H](C)CC#N ZINC000460926267 873831087 /nfs/dbraw/zinc/83/10/87/873831087.db2.gz JTHVBFQSKTYNBL-GJZGRUSLSA-N 0 0 418.339 4.495 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC000460928445 873831808 /nfs/dbraw/zinc/83/18/08/873831808.db2.gz PBSRRAYRKVIJOL-PXNSSMCTSA-N 0 0 418.545 4.191 20 30 HIEDRN C=C(C)Cn1c(N2CCCN(c3nccs3)CC2)nnc1C(C)(C)c1ccccc1 ZINC000460929211 873832746 /nfs/dbraw/zinc/83/27/46/873832746.db2.gz DCJNGBUKWCLBPJ-UHFFFAOYSA-N 0 0 422.602 4.353 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000460930684 873833651 /nfs/dbraw/zinc/83/36/51/873833651.db2.gz AGQNHDLVPMUPOU-MAUKXSAKSA-N 0 0 416.497 4.482 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC000460932877 873834514 /nfs/dbraw/zinc/83/45/14/873834514.db2.gz OIXZJYPSWSTGNX-UHFFFAOYSA-N 0 0 416.245 4.311 20 30 HIEDRN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC[C@@H](c2nncn2CC)C1 ZINC000460933293 873834537 /nfs/dbraw/zinc/83/45/37/873834537.db2.gz KMDUGYGTFQCLQV-HXUWFJFHSA-N 0 0 411.598 4.363 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCCCC)c(=O)c3ccccc32)nnc1N(C)C1CC1 ZINC000460933962 873835556 /nfs/dbraw/zinc/83/55/56/873835556.db2.gz YHHDAAHZUOKGEU-UHFFFAOYSA-N 0 0 406.534 4.020 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000460936083 873837342 /nfs/dbraw/zinc/83/73/42/873837342.db2.gz KZBXWPZLXBUVBM-UGSOOPFHSA-N 0 0 423.344 4.373 20 30 HIEDRN Cc1nc(Cn2c(C)c(Br)cc(C#N)c2=O)oc1-c1ccc(Cl)cc1 ZINC000460936142 873837450 /nfs/dbraw/zinc/83/74/50/873837450.db2.gz FAMKUMYRXRBIEN-UHFFFAOYSA-N 0 0 418.678 4.456 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000460937787 873838191 /nfs/dbraw/zinc/83/81/91/873838191.db2.gz IVABNPZOLVAWBY-LJQANCHMSA-N 0 0 417.513 4.337 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCCO[C@@H](C)C1 ZINC000460937623 873838649 /nfs/dbraw/zinc/83/86/49/873838649.db2.gz OHBBWFPTFOJHSW-SFHVURJKSA-N 0 0 408.502 4.308 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000460938812 873839447 /nfs/dbraw/zinc/83/94/47/873839447.db2.gz UJYUKQXIDSLWRX-UHFFFAOYSA-N 0 0 407.518 4.423 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000460938023 873839461 /nfs/dbraw/zinc/83/94/61/873839461.db2.gz PLXKCTXXCLSDSL-LRSLUSHPSA-N 0 0 408.546 4.105 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000460942017 873841735 /nfs/dbraw/zinc/84/17/35/873841735.db2.gz VNHZTLQSHTWFBE-OAHLLOKOSA-N 0 0 411.941 4.471 20 30 HIEDRN C=C(C)Cn1c(CCC2CCCCC2)nnc1N(C)C1CCN(c2cnccn2)CC1 ZINC000460941739 873841867 /nfs/dbraw/zinc/84/18/67/873841867.db2.gz YNIKYIIRCLCQBM-UHFFFAOYSA-N 0 0 423.609 4.262 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000460942016 873842080 /nfs/dbraw/zinc/84/20/80/873842080.db2.gz VNHZTLQSHTWFBE-HNNXBMFYSA-N 0 0 411.941 4.471 20 30 HIEDRN C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCCN(CC(F)F)CC1 ZINC000460942710 873842979 /nfs/dbraw/zinc/84/29/79/873842979.db2.gz CXIVRUQEHWKIPI-UHFFFAOYSA-N 0 0 421.561 4.232 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(c2ccccc2)CC1 ZINC000460944818 873843729 /nfs/dbraw/zinc/84/37/29/873843729.db2.gz SZFZJUJRVPAYDO-UHFFFAOYSA-N 0 0 405.521 4.301 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCc2cc(Br)ccc2C1 ZINC000460944789 873843790 /nfs/dbraw/zinc/84/37/90/873843790.db2.gz SRGOQBHGTLVTQM-UHFFFAOYSA-N 0 0 424.346 4.165 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCSC[C@H]1C ZINC000460944137 873843840 /nfs/dbraw/zinc/84/38/40/873843840.db2.gz CPNXPCRIPGKYON-CYBMUJFWSA-N 0 0 423.380 4.234 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000460944074 873844038 /nfs/dbraw/zinc/84/40/38/873844038.db2.gz PMHKKZFBLVJFKM-ZQHDKMAOSA-N 0 0 419.554 4.328 20 30 HIEDRN C=CCc1cc(CNC(=O)c2ccc(OCc3ccccn3)cc2)cc(OC)c1OC ZINC000460945046 873844074 /nfs/dbraw/zinc/84/40/74/873844074.db2.gz JUJSYGXILSBNEG-UHFFFAOYSA-N 0 0 418.493 4.336 20 30 HIEDRN N#CCC[C@@H](NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000460944608 873844130 /nfs/dbraw/zinc/84/41/30/873844130.db2.gz GQZURUIVBPCEFB-CVEARBPZSA-N 0 0 421.423 4.456 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC000460947196 873845499 /nfs/dbraw/zinc/84/54/99/873845499.db2.gz FHRWRBWJGXQTII-IBGZPJMESA-N 0 0 417.561 4.226 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC000460949525 873847731 /nfs/dbraw/zinc/84/77/31/873847731.db2.gz MMLYZMXCWNDDSR-UHFFFAOYSA-N 0 0 416.525 4.475 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000460949718 873847980 /nfs/dbraw/zinc/84/79/80/873847980.db2.gz CJSCEQQPLBQWAS-SFTDATJTSA-N 0 0 409.578 4.404 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000460949813 873848690 /nfs/dbraw/zinc/84/86/90/873848690.db2.gz CUNLZMMMJAIBJD-RBBKRZOGSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000460949784 873848891 /nfs/dbraw/zinc/84/88/91/873848891.db2.gz CRELHJHYOIDVNQ-FQEVSTJZSA-N 0 0 419.529 4.336 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000460949950 873848929 /nfs/dbraw/zinc/84/89/29/873848929.db2.gz NYOVKZHBDWXXKF-VXSCBNMQSA-N 0 0 410.562 4.351 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC000460950893 873849505 /nfs/dbraw/zinc/84/95/05/873849505.db2.gz HQAPTIMGMJMPBE-IIBYNOLFSA-N 0 0 406.486 4.270 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCc2cc(Br)ccc2C1 ZINC000460951815 873850809 /nfs/dbraw/zinc/85/08/09/873850809.db2.gz YFCPDEUKDBXFSZ-UHFFFAOYSA-N 0 0 410.319 4.241 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2cccc(F)c2C1 ZINC000460952418 873850978 /nfs/dbraw/zinc/85/09/78/873850978.db2.gz BOAOWGILFBVVSF-UHFFFAOYSA-N 0 0 408.477 4.240 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000460953680 873851738 /nfs/dbraw/zinc/85/17/38/873851738.db2.gz AVZBHYRXYIXYNW-SFHVURJKSA-N 0 0 424.574 4.230 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000460955475 873853612 /nfs/dbraw/zinc/85/36/12/873853612.db2.gz XLRBKDSZIVOYSO-HTAPYJJXSA-N 0 0 420.561 4.451 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](OC)C[C@@H]1C ZINC000460957570 873855323 /nfs/dbraw/zinc/85/53/23/873855323.db2.gz LELGIDDVIOGPDE-IRXDYDNUSA-N 0 0 402.564 4.159 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000460959514 873856521 /nfs/dbraw/zinc/85/65/21/873856521.db2.gz KESZTJDPILFQSA-GOSISDBHSA-N 0 0 412.578 4.438 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(CCOC)Cc1cncs1 ZINC000460960413 873857273 /nfs/dbraw/zinc/85/72/73/873857273.db2.gz RPBHSPIIWXNCME-UHFFFAOYSA-N 0 0 403.939 4.284 20 30 HIEDRN C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N1CCOC[C@@H](C)C1 ZINC000460963635 873860842 /nfs/dbraw/zinc/86/08/42/873860842.db2.gz ZGELYHSMKMJRLA-KRWDZBQOSA-N 0 0 418.969 4.300 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)C[C@H]1CC ZINC000460965359 873862980 /nfs/dbraw/zinc/86/29/80/873862980.db2.gz YXLLZFICTSRLOF-QZTJIDSGSA-N 0 0 420.561 4.437 20 30 HIEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CSC(C)C)c2C)c1 ZINC000461010750 873883787 /nfs/dbraw/zinc/88/37/87/873883787.db2.gz ACGFLMRBZKBOHF-UHFFFAOYSA-N 0 0 418.584 4.353 20 30 HIEDRN N#C[C@H]1N(C(=O)CCCOc2cccc(Br)c2)CCC[C@]12CCCCO2 ZINC000468637577 882770426 /nfs/dbraw/zinc/77/04/26/882770426.db2.gz JPNLREPRSHMZPP-UYAOXDASSA-N 0 0 421.335 4.062 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc(Cl)c1OCC(C)C ZINC000468640888 882774943 /nfs/dbraw/zinc/77/49/43/882774943.db2.gz YCRAENABTQCNPD-DENIHFKCSA-N 0 0 420.937 4.451 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@H]1CCCO1 ZINC000461066633 873950195 /nfs/dbraw/zinc/95/01/95/873950195.db2.gz ZRKNHJWMZYRPQD-OAQYLSRUSA-N 0 0 419.554 4.174 20 30 HIEDRN C=CCN(CC=C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CCCO1 ZINC000461072046 873964508 /nfs/dbraw/zinc/96/45/08/873964508.db2.gz CVRAUMPNYSOWMT-HNNXBMFYSA-N 0 0 403.324 4.065 20 30 HIEDRN COc1ccc(SC)c(OC)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000461078308 873982019 /nfs/dbraw/zinc/98/20/19/873982019.db2.gz AIRWGHXIPHATKT-CYBMUJFWSA-N 0 0 421.316 4.183 20 30 HIEDRN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000468644444 882780373 /nfs/dbraw/zinc/78/03/73/882780373.db2.gz BFKADWGZAUVTMG-GCJKJVERSA-N 0 0 412.921 4.360 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000461082920 873991646 /nfs/dbraw/zinc/99/16/46/873991646.db2.gz CXFXLHSATHRZNO-IRXDYDNUSA-N 0 0 421.806 4.093 20 30 HIEDRN COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c2c1 ZINC000468647236 882782102 /nfs/dbraw/zinc/78/21/02/882782102.db2.gz DBEOJGLAQZZNJP-UPVQGACJSA-N 0 0 405.498 4.188 20 30 HIEDRN CC(C)c1nc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)nn1-c1ccccc1F ZINC000461092466 874006828 /nfs/dbraw/zinc/00/68/28/874006828.db2.gz GPIQMOCLGYZLOW-HSZRJFAPSA-N 0 0 405.477 4.175 20 30 HIEDRN C[C@H](Oc1cccc(Br)c1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000461096443 874013241 /nfs/dbraw/zinc/01/32/41/874013241.db2.gz UKCMALMAIXOFKC-YWZLYKJASA-N 0 0 401.304 4.248 20 30 HIEDRN C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000461096442 874013597 /nfs/dbraw/zinc/01/35/97/874013597.db2.gz UKCMALMAIXOFKC-QRWLVFNGSA-N 0 0 401.304 4.248 20 30 HIEDRN Cc1ccc(CCC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(Br)c1 ZINC000468651077 882787178 /nfs/dbraw/zinc/78/71/78/882787178.db2.gz XOZNJQBYWBFZPC-ICSRJNTNSA-N 0 0 405.336 4.144 20 30 HIEDRN Cc1nc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)cs1 ZINC000461132074 874068125 /nfs/dbraw/zinc/06/81/25/874068125.db2.gz MGEAHOZFYKRCIN-QUCCMNQESA-N 0 0 420.542 4.102 20 30 HIEDRN CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461144878 874088359 /nfs/dbraw/zinc/08/83/59/874088359.db2.gz OCISDMRPOABFDP-IBGZPJMESA-N 0 0 407.543 4.126 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCO1 ZINC000461146599 874092225 /nfs/dbraw/zinc/09/22/25/874092225.db2.gz GFULKUIHRQPCSS-OAQYLSRUSA-N 0 0 419.529 4.029 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2C[C@H]2CCCO2)cc1 ZINC000461148979 874094072 /nfs/dbraw/zinc/09/40/72/874094072.db2.gz RPXNCEHJIJUVTO-UXHICEINSA-N 0 0 405.527 4.399 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461148546 874094850 /nfs/dbraw/zinc/09/48/50/874094850.db2.gz CSXDVMMNUGZPQR-IBGZPJMESA-N 0 0 405.527 4.250 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2cccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000461148628 874095202 /nfs/dbraw/zinc/09/52/02/874095202.db2.gz DAMJHECCUHKWCC-FQEVSTJZSA-N 0 0 401.514 4.407 20 30 HIEDRN CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)Cc2ccccc21 ZINC000461164977 874129022 /nfs/dbraw/zinc/12/90/22/874129022.db2.gz XQUIIWBLNPDKIC-NRFANRHFSA-N 0 0 413.525 4.294 20 30 HIEDRN CCOC(=O)[C@H](CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1ccccc1 ZINC000461192922 874188641 /nfs/dbraw/zinc/18/86/41/874188641.db2.gz RQZZVBUQOTWGOW-HSZRJFAPSA-N 0 0 413.477 4.379 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000461258153 874263766 /nfs/dbraw/zinc/26/37/66/874263766.db2.gz VQYDLBLPISGYMB-PKTZIBPZSA-N 0 0 413.525 4.207 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ccc(F)cc1OC(F)F)c1ccccc1 ZINC000461272288 874282406 /nfs/dbraw/zinc/28/24/06/874282406.db2.gz OXKLHPVBBWRIHZ-UHFFFAOYSA-N 0 0 405.376 4.093 20 30 HIEDRN CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461293536 874299954 /nfs/dbraw/zinc/29/99/54/874299954.db2.gz RUZKJJCLLWJVAM-HNNXBMFYSA-N 0 0 424.302 4.109 20 30 HIEDRN C=CC[C@H]1N(c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)CCCC1(C)C ZINC000461295207 874301265 /nfs/dbraw/zinc/30/12/65/874301265.db2.gz CCELXICHCSTQKP-GOSISDBHSA-N 0 0 413.591 4.195 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(N3CCCc4ccccc43)cc2)cn1 ZINC000461305484 874311136 /nfs/dbraw/zinc/31/11/36/874311136.db2.gz GRZIZPYNYHTDJY-UHFFFAOYSA-N 0 0 420.476 4.476 20 30 HIEDRN C[C@@H](N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1)C1(C)CC1 ZINC000461319689 874328418 /nfs/dbraw/zinc/32/84/18/874328418.db2.gz BKKOORNINQWEKZ-MRXNPFEDSA-N 0 0 407.543 4.463 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1Cc1cccs1 ZINC000461324749 874335247 /nfs/dbraw/zinc/33/52/47/874335247.db2.gz OXMOTNUPIRYKMZ-UHFFFAOYSA-N 0 0 407.543 4.180 20 30 HIEDRN CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cccs1 ZINC000461326882 874337481 /nfs/dbraw/zinc/33/74/81/874337481.db2.gz ZGONJSIRDVLZBY-UHFFFAOYSA-N 0 0 406.559 4.100 20 30 HIEDRN CCc1cnc(N2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)s1 ZINC000461405759 874416625 /nfs/dbraw/zinc/41/66/25/874416625.db2.gz JBLJKKDXLFWMRW-UHFFFAOYSA-N 0 0 418.522 4.332 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)c2)cc1 ZINC000461412706 874430629 /nfs/dbraw/zinc/43/06/29/874430629.db2.gz GGRFHTDMVVRFPK-UHFFFAOYSA-N 0 0 415.405 4.294 20 30 HIEDRN COC(=O)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 ZINC000461414986 874434137 /nfs/dbraw/zinc/43/41/37/874434137.db2.gz JWRPFVGYPAADEM-QHCPKHFHSA-N 0 0 414.461 4.232 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)n1 ZINC000468719284 882827935 /nfs/dbraw/zinc/82/79/35/882827935.db2.gz XSWJZNGIVWIYRJ-OAHLLOKOSA-N 0 0 424.888 4.468 20 30 HIEDRN N#Cc1cccnc1-n1cc(NCc2ccc(OC(F)F)c(Br)c2)cn1 ZINC000461423430 874453421 /nfs/dbraw/zinc/45/34/21/874453421.db2.gz AHLZKPAUDWIZGX-UHFFFAOYSA-N 0 0 420.217 4.115 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000461427252 874460936 /nfs/dbraw/zinc/46/09/36/874460936.db2.gz PXNGZJXYWNPOTC-ABAIWWIYSA-N 0 0 406.364 4.364 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2ccccc2)n1C[C@H]1CCOC1 ZINC000461428440 874464520 /nfs/dbraw/zinc/46/45/20/874464520.db2.gz QSFAUQLDSKIOPD-HXUWFJFHSA-N 0 0 404.514 4.183 20 30 HIEDRN CCOc1ccc([C@H](C)Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1OCC ZINC000461446576 874504406 /nfs/dbraw/zinc/50/44/06/874504406.db2.gz HIYHQBHHDQFOKS-AWEZNQCLSA-N 0 0 406.442 4.985 20 30 HIEDRN N#CCN1CCC[C@H](CNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)C1 ZINC000461477188 874534913 /nfs/dbraw/zinc/53/49/13/874534913.db2.gz DSFYMGQZDXGTHX-GOSISDBHSA-N 0 0 418.516 4.258 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(CC3CCCCC3)n2Cc2cccs2)CC1 ZINC000461481324 874540480 /nfs/dbraw/zinc/54/04/80/874540480.db2.gz GLKWMWFIPDLMQH-UHFFFAOYSA-N 0 0 413.591 4.267 20 30 HIEDRN N#Cc1ccc(CN(c2nnc([C@H]3CCCO3)n2Cc2cccs2)C2CC2)cc1 ZINC000461482026 874542534 /nfs/dbraw/zinc/54/25/34/874542534.db2.gz BPLFYZSRPCXDDH-HXUWFJFHSA-N 0 0 405.527 4.280 20 30 HIEDRN C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CCC12CCOCC2 ZINC000461484350 874545422 /nfs/dbraw/zinc/54/54/22/874545422.db2.gz FMBBFRLJTQOGDX-KRWDZBQOSA-N 0 0 419.554 4.322 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3[C@H]3CCCO3)n2Cc2cccs2)c1 ZINC000461493600 874562044 /nfs/dbraw/zinc/56/20/44/874562044.db2.gz HTNDHKXUTDZJCL-WOJBJXKFSA-N 0 0 405.527 4.074 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cccs1 ZINC000461503545 874579270 /nfs/dbraw/zinc/57/92/70/874579270.db2.gz SJZOXYMOLXOVMK-CYBMUJFWSA-N 0 0 403.458 4.395 20 30 HIEDRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccs1 ZINC000461512018 874590063 /nfs/dbraw/zinc/59/00/63/874590063.db2.gz FVZQTEDDSNKPHY-ZDUSSCGKSA-N 0 0 401.923 4.455 20 30 HIEDRN COc1cc(C(=O)N(C)c2ccc(C#N)cc2)cc(OC)c1OCc1ccccc1 ZINC000461511893 874590614 /nfs/dbraw/zinc/59/06/14/874590614.db2.gz HRDCFKQOOGOQSO-UHFFFAOYSA-N 0 0 402.450 4.431 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC1 ZINC000461514872 874594449 /nfs/dbraw/zinc/59/44/49/874594449.db2.gz AAHPORJOHVGHJM-HNNXBMFYSA-N 0 0 420.344 4.418 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CCCC2)n1C[C@H]1CCOC1 ZINC000461520404 874602243 /nfs/dbraw/zinc/60/22/43/874602243.db2.gz HZUQVUTYVKPOTF-OAQYLSRUSA-N 0 0 410.562 4.249 20 30 HIEDRN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 ZINC000461522729 874605118 /nfs/dbraw/zinc/60/51/18/874605118.db2.gz XYZHAHUCVWBOSP-SFTDATJTSA-N 0 0 423.561 4.028 20 30 HIEDRN COCCN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 ZINC000461525261 874609542 /nfs/dbraw/zinc/60/95/42/874609542.db2.gz WOYAWWCPPQPLSE-UHFFFAOYSA-N 0 0 419.510 4.173 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC1 ZINC000461540191 874626751 /nfs/dbraw/zinc/62/67/51/874626751.db2.gz ZUQQEJVPSIYSRM-SFHVURJKSA-N 0 0 413.522 4.004 20 30 HIEDRN C=CCN(c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCOC1)C1CC1 ZINC000461556902 874647711 /nfs/dbraw/zinc/64/77/11/874647711.db2.gz LZPCFAMHIZCWGD-CYBMUJFWSA-N 0 0 421.314 4.038 20 30 HIEDRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCOC2)cc1 ZINC000461560010 874652090 /nfs/dbraw/zinc/65/20/90/874652090.db2.gz CVBONXQKHIQPAJ-RTBURBONSA-N 0 0 411.550 4.145 20 30 HIEDRN C=C(C)CN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1 ZINC000461560857 874653154 /nfs/dbraw/zinc/65/31/54/874653154.db2.gz AOIKNADFDYMUAZ-OAHLLOKOSA-N 0 0 405.340 4.147 20 30 HIEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(Cc2ccccc2)no1 ZINC000468766952 882850845 /nfs/dbraw/zinc/85/08/45/882850845.db2.gz BCLPEIRZUDBNOU-QGZVFWFLSA-N 0 0 415.497 4.416 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCOC1 ZINC000461575119 874679348 /nfs/dbraw/zinc/67/93/48/874679348.db2.gz TWPSIFFVSVPSBB-IBGZPJMESA-N 0 0 420.561 4.153 20 30 HIEDRN Cc1ccc(NC(=O)CC(C)(C)C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000468773312 882853380 /nfs/dbraw/zinc/85/33/80/882853380.db2.gz BKQNTOFXBJXMFJ-UHFFFAOYSA-N 0 0 405.907 4.328 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCOC1 ZINC000461586848 874699271 /nfs/dbraw/zinc/69/92/71/874699271.db2.gz RBUZSAOQEFGUOO-OAQYLSRUSA-N 0 0 418.541 4.107 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccnc2)n1C[C@@H]1CCOC1 ZINC000461593008 874714378 /nfs/dbraw/zinc/71/43/78/874714378.db2.gz FIGIIYBGPVTLJN-HNNXBMFYSA-N 0 0 415.950 4.284 20 30 HIEDRN C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCOC1)C1CC1 ZINC000461595165 874717931 /nfs/dbraw/zinc/71/79/31/874717931.db2.gz HSBLGGOKCPQRDR-OAHLLOKOSA-N 0 0 404.967 4.415 20 30 HIEDRN C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461595544 874720388 /nfs/dbraw/zinc/72/03/88/874720388.db2.gz FUFCBRWFTGBLNY-XQFWAAQXSA-N 0 0 413.525 4.236 20 30 HIEDRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461600394 874728921 /nfs/dbraw/zinc/72/89/21/874728921.db2.gz HNALMCPHUGERFW-NVXWUHKLSA-N 0 0 423.467 4.329 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461600395 874729150 /nfs/dbraw/zinc/72/91/50/874729150.db2.gz HNALMCPHUGERFW-RDJZCZTQSA-N 0 0 423.467 4.329 20 30 HIEDRN Cc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461606262 874744577 /nfs/dbraw/zinc/74/45/77/874744577.db2.gz TXFZUBFJIOIXOG-TZIWHRDSSA-N 0 0 415.541 4.229 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCCC1(C)C ZINC000461609786 874752756 /nfs/dbraw/zinc/75/27/56/874752756.db2.gz BJZWVZJEOHOODO-CTNGQTDRSA-N 0 0 405.546 4.424 20 30 HIEDRN Cc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)s1 ZINC000461613532 874757962 /nfs/dbraw/zinc/75/79/62/874757962.db2.gz HYVZUNWWMIYZHO-CRAIPNDOSA-N 0 0 422.558 4.124 20 30 HIEDRN C[C@H](c1c(F)cccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461621285 874774038 /nfs/dbraw/zinc/77/40/38/874774038.db2.gz UPFZUXPYQQMNBF-NVXWUHKLSA-N 0 0 423.467 4.329 20 30 HIEDRN CCC[C@H](C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461636318 874793854 /nfs/dbraw/zinc/79/38/54/874793854.db2.gz XNXODQWGZKRAOU-VCOUNFBDSA-N 0 0 423.561 4.170 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000461666753 874818535 /nfs/dbraw/zinc/81/85/35/874818535.db2.gz PCFIMCKTRABYHK-UHFFFAOYSA-N 0 0 410.371 4.307 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCOC1 ZINC000461697066 874846514 /nfs/dbraw/zinc/84/65/14/874846514.db2.gz SOSBPXSLXYWWOJ-QGZVFWFLSA-N 0 0 412.534 4.299 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000461703684 874853474 /nfs/dbraw/zinc/85/34/74/874853474.db2.gz FWYIMULCNLEEHT-UHFFFAOYSA-N 0 0 420.542 4.059 20 30 HIEDRN C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCOC1)C1CC1 ZINC000461704156 874854568 /nfs/dbraw/zinc/85/45/68/874854568.db2.gz QJTLUXHLFLRPLJ-CQSZACIVSA-N 0 0 423.344 4.355 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000461706151 874855451 /nfs/dbraw/zinc/85/54/51/874855451.db2.gz SYNCYIMDQOOSBQ-SFHVURJKSA-N 0 0 414.918 4.475 20 30 HIEDRN C[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 ZINC000461726628 874873694 /nfs/dbraw/zinc/87/36/94/874873694.db2.gz MLKCEKDTVDTMRQ-CYBMUJFWSA-N 0 0 422.838 4.078 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Cc3csc(-c4ccccc4Cl)n3)C2)cc1 ZINC000461730370 874877248 /nfs/dbraw/zinc/87/72/48/874877248.db2.gz SLNOLQLNVSZJBJ-UHFFFAOYSA-N 0 0 409.898 4.167 20 30 HIEDRN C=CCN(CCOC)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000461731352 874877323 /nfs/dbraw/zinc/87/73/23/874877323.db2.gz UHAUWWHHKGTBEV-KRWDZBQOSA-N 0 0 406.324 4.152 20 30 HIEDRN CC(C)Oc1ccc(-c2nc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cs2)cc1 ZINC000461732661 874878602 /nfs/dbraw/zinc/87/86/02/874878602.db2.gz ZROFSEYCVWQMNG-UHFFFAOYSA-N 0 0 419.506 4.372 20 30 HIEDRN CO[C@]1(C)C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1(C)C ZINC000461733837 874879834 /nfs/dbraw/zinc/87/98/34/874879834.db2.gz OZRKUYOCOSPASS-JXALWOEJSA-N 0 0 423.561 4.026 20 30 HIEDRN CC(=O)c1ccc(Oc2ccc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2)cc1 ZINC000461734839 874880816 /nfs/dbraw/zinc/88/08/16/874880816.db2.gz SYXHLMJZGLUXMT-UHFFFAOYSA-N 0 0 412.445 4.457 20 30 HIEDRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2nc(C)c(C#N)cc2Cl)cc1 ZINC000461737308 874881847 /nfs/dbraw/zinc/88/18/47/874881847.db2.gz ZOBYBZCCJRXGLD-ZDUSSCGKSA-N 0 0 406.939 4.119 20 30 HIEDRN CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461736733 874881955 /nfs/dbraw/zinc/88/19/55/874881955.db2.gz YPRATUJYPZUCRT-IBGZPJMESA-N 0 0 407.543 4.474 20 30 HIEDRN Cc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2ccc(Br)cc2n1 ZINC000461741634 874886352 /nfs/dbraw/zinc/88/63/52/874886352.db2.gz FQHKBSIOPBRBFM-UHFFFAOYSA-N 0 0 422.282 4.081 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000461752693 874892071 /nfs/dbraw/zinc/89/20/71/874892071.db2.gz HHTPAYWSIGRHTL-FGZHOGPDSA-N 0 0 403.526 4.012 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468819813 882875788 /nfs/dbraw/zinc/87/57/88/882875788.db2.gz DOXUOVWJDYAIJV-UHFFFAOYSA-N 0 0 402.838 4.349 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@@H]3COc4c3ccc(Cl)c4Cl)on2)c1 ZINC000468820370 882875828 /nfs/dbraw/zinc/87/58/28/882875828.db2.gz CTDBNGLZBFUBAK-OAHLLOKOSA-N 0 0 400.221 4.384 20 30 HIEDRN Cc1ccc(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)cc1 ZINC000461807523 874921833 /nfs/dbraw/zinc/92/18/33/874921833.db2.gz FXYAUYFDGPADFF-JOCHJYFZSA-N 0 0 417.513 4.374 20 30 HIEDRN C=CCN(C(=O)c1cc(-c2ccccc2)ns1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000468828978 882879504 /nfs/dbraw/zinc/87/95/04/882879504.db2.gz CZJNMFICRHJZFP-INIZCTEOSA-N 0 0 416.510 4.175 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2ccc3ccccc3c2)n1C[C@H]1CCCCO1 ZINC000461812815 874929423 /nfs/dbraw/zinc/92/94/23/874929423.db2.gz VHLRAJHHSYZTOE-PGRDOPGGSA-N 0 0 403.530 4.330 20 30 HIEDRN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1(C)C ZINC000461814116 874932149 /nfs/dbraw/zinc/93/21/49/874932149.db2.gz XWHOWRKAHBJUJV-PWRODBHTSA-N 0 0 423.561 4.026 20 30 HIEDRN CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 ZINC000461814499 874932969 /nfs/dbraw/zinc/93/29/69/874932969.db2.gz YQUDWZHAMYNUEM-DENIHFKCSA-N 0 0 423.561 4.314 20 30 HIEDRN Cc1ccc(C)c(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCO2)c1 ZINC000461816615 874937243 /nfs/dbraw/zinc/93/72/43/874937243.db2.gz PGKJCNYCXKGUED-NRFANRHFSA-N 0 0 423.561 4.173 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2ncccc2C)n1C[C@H]1CCCCO1 ZINC000461832927 874964970 /nfs/dbraw/zinc/96/49/70/874964970.db2.gz KQRRQEGXHYUQMZ-OAQYLSRUSA-N 0 0 403.530 4.410 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@@H]1CCCCO1 ZINC000461834382 874967734 /nfs/dbraw/zinc/96/77/34/874967734.db2.gz RXZHAGWXTVEDCV-UNMCSNQZSA-N 0 0 423.561 4.290 20 30 HIEDRN Cn1cc([C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(F)c2)cn1 ZINC000468842585 882886147 /nfs/dbraw/zinc/88/61/47/882886147.db2.gz DEOHGWITYLZFAB-XMMPIXPASA-N 0 0 417.488 4.344 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(CCc2ccco2)n1C[C@@H]1CCCCO1 ZINC000461849694 874992429 /nfs/dbraw/zinc/99/24/29/874992429.db2.gz LPJVIYDMVFWRQK-QFIPXVFZSA-N 0 0 406.530 4.418 20 30 HIEDRN COCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C)C1 ZINC000461854569 875000400 /nfs/dbraw/zinc/00/04/00/875000400.db2.gz RGGGUNKVFWDGDN-BWAGFHJFSA-N 0 0 423.561 4.027 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCCCO1 ZINC000461857103 875003362 /nfs/dbraw/zinc/00/33/62/875003362.db2.gz RWKOMMMLNGHZLD-HXUWFJFHSA-N 0 0 416.529 4.192 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCCO1 ZINC000461858285 875005557 /nfs/dbraw/zinc/00/55/57/875005557.db2.gz VGJCYNMHBPMVMR-STQMWFEESA-N 0 0 424.368 4.077 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CCC[C@@H]4CCC[C@H]43)n2C[C@H]2CCCCO2)cc1 ZINC000461860296 875007981 /nfs/dbraw/zinc/00/79/81/875007981.db2.gz SWMKCNOGJPNRHE-KSEOMHKRSA-N 0 0 421.545 4.067 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)c1nnc(C)n1C[C@H]1CCCCO1 ZINC000461862992 875012123 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20 30 HIEDRN C[C@@H](C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccc(C#N)c1 ZINC000461924501 875064445 /nfs/dbraw/zinc/06/44/45/875064445.db2.gz WHRSLEBEJIRBQP-MRXNPFEDSA-N 0 0 401.441 4.370 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000461944238 875076830 /nfs/dbraw/zinc/07/68/30/875076830.db2.gz IELUQWIAVMLAKR-FPMFFAJLSA-N 0 0 404.230 4.434 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 ZINC000468855769 882892364 /nfs/dbraw/zinc/89/23/64/882892364.db2.gz GAHHDASRWIVCNS-CYBMUJFWSA-N 0 0 410.405 4.151 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000461953526 875084406 /nfs/dbraw/zinc/08/44/06/875084406.db2.gz DLJKVWMIDBPVGK-DENIHFKCSA-N 0 0 424.495 4.074 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000461985612 875105029 /nfs/dbraw/zinc/10/50/29/875105029.db2.gz HJVCXMWIZRQCRV-NRFANRHFSA-N 0 0 423.586 4.480 20 30 HIEDRN C[C@@H](C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cccc(C#N)c1 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AQAPHJXMUPOORR-UHFFFAOYSA-N 0 0 423.428 4.175 20 30 HIEDRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462131399 875232376 /nfs/dbraw/zinc/23/23/76/875232376.db2.gz AJKSYQSSIWHHJM-MRXNPFEDSA-N 0 0 417.534 4.170 20 30 HIEDRN CC(C)(CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000468876801 882911187 /nfs/dbraw/zinc/91/11/87/882911187.db2.gz HUYZSUHTFVATPT-UHFFFAOYSA-N 0 0 414.424 4.113 20 30 HIEDRN C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)c1cccc(C#N)c1 ZINC000462192123 875299199 /nfs/dbraw/zinc/29/91/99/875299199.db2.gz OGOFUIICWMSEDY-HOYKHHGWSA-N 0 0 411.505 4.236 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NCC(=O)NCCOc1cccc(Cl)c1 ZINC000462232660 875343397 /nfs/dbraw/zinc/34/33/97/875343397.db2.gz NUGYYJCMUMPMOP-OAHLLOKOSA-N 0 0 403.935 4.341 20 30 HIEDRN C[C@H](c1ccsc1)N1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000462264543 875390798 /nfs/dbraw/zinc/39/07/98/875390798.db2.gz ATAFKBSRQWZKMD-LJQANCHMSA-N 0 0 416.550 4.454 20 30 HIEDRN 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CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)cc1 ZINC000463412768 876466726 /nfs/dbraw/zinc/46/67/26/876466726.db2.gz JOTJCVWGTLBZBY-OAHLLOKOSA-N 0 0 405.527 4.348 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000468965354 883031662 /nfs/dbraw/zinc/03/16/62/883031662.db2.gz MJKNXSVINQHDFP-UHFFFAOYSA-N 0 0 401.470 4.004 20 30 HIEDRN COc1cccc([C@H](C)CCCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000468969217 883034904 /nfs/dbraw/zinc/03/49/04/883034904.db2.gz LLRUGHPNQQUJGX-HXUWFJFHSA-N 0 0 405.542 4.185 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCc3ccc(F)cc3Br)on2)c1 ZINC000468969481 883035298 /nfs/dbraw/zinc/03/52/98/883035298.db2.gz KXUZGFVHURPBPH-UHFFFAOYSA-N 0 0 400.207 4.045 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H](c3ccc(F)cc3)C(C)C)C2)n1 ZINC000468968823 883035812 /nfs/dbraw/zinc/03/58/12/883035812.db2.gz OEEBKIMSAPLAHV-RBBKRZOGSA-N 0 0 408.521 4.473 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)on2)c1 ZINC000468970324 883037021 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COc1ccc([C@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)c(OC)c1 ZINC000466597782 880369259 /nfs/dbraw/zinc/36/92/59/880369259.db2.gz PSLTZGAYGJJELT-GOSISDBHSA-N 0 0 410.474 4.150 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000466601508 880372173 /nfs/dbraw/zinc/37/21/73/880372173.db2.gz QYRMNDQOPNUESD-UHFFFAOYSA-N 0 0 408.502 4.225 20 30 HIEDRN C=CCn1c(SCc2nc([C@@H](C)OCC(C)C)no2)nc2sccc2c1=O ZINC000466607093 880376013 /nfs/dbraw/zinc/37/60/13/880376013.db2.gz CJYDABOXOWGPIL-GFCCVEGCSA-N 0 0 406.533 4.053 20 30 HIEDRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466606298 880376287 /nfs/dbraw/zinc/37/62/87/880376287.db2.gz GXDQLBBJKMZUHD-SFHVURJKSA-N 0 0 411.481 4.002 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000466608609 880379186 /nfs/dbraw/zinc/37/91/86/880379186.db2.gz PPVBYUBTZATIIR-GOSISDBHSA-N 0 0 418.856 4.162 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000466615723 880387422 /nfs/dbraw/zinc/38/74/22/880387422.db2.gz 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880421035 /nfs/dbraw/zinc/42/10/35/880421035.db2.gz FZGVTXFCNLOKDH-UHFFFAOYSA-N 0 0 403.526 4.243 20 30 HIEDRN C[C@H]1C[C@H](C)CN(c2nnc(SCCCSCC#N)n2Cc2ccco2)C1 ZINC000466646419 880422242 /nfs/dbraw/zinc/42/22/42/880422242.db2.gz ILZVMTBPDQMDLI-HOTGVXAUSA-N 0 0 405.593 4.141 20 30 HIEDRN CC1(C)CCCC[C@H]1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000466658784 880438411 /nfs/dbraw/zinc/43/84/11/880438411.db2.gz GGPLDSZVMOWIPN-OAQYLSRUSA-N 0 0 423.488 4.300 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000466663165 880443085 /nfs/dbraw/zinc/44/30/85/880443085.db2.gz CHWIYGOFAWWEEY-HNNXBMFYSA-N 0 0 421.522 4.425 20 30 HIEDRN Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000503520263 912568578 /nfs/dbraw/zinc/56/85/78/912568578.db2.gz CKTHIWKGCFVMGM-FPOVZHCZSA-N 0 0 424.863 4.105 20 30 HIEDRN N#C[C@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)c1ccc(F)cc1 ZINC000503521769 912571226 /nfs/dbraw/zinc/57/12/26/912571226.db2.gz PVIBAUGZQQKKBW-SFHVURJKSA-N 0 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HIEDRN COCc1c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cnn1-c1ccccc1 ZINC000466875932 880642474 /nfs/dbraw/zinc/64/24/74/880642474.db2.gz BQZDRWIBSIKWSE-UHFFFAOYSA-N 0 0 415.478 4.266 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)N3CCN(c4cccs4)CC3)s2)cc1 ZINC000466977742 880781252 /nfs/dbraw/zinc/78/12/52/880781252.db2.gz AIGGWPURDHMDQT-UHFFFAOYSA-N 0 0 409.540 4.021 20 30 HIEDRN C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466977222 880782733 /nfs/dbraw/zinc/78/27/33/880782733.db2.gz OBROWBXZPSLDDL-OXJNMPFZSA-N 0 0 401.432 4.218 20 30 HIEDRN N#Cc1ccc([C@@H](N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)C(N)=O)cc1 ZINC000467010949 880816116 /nfs/dbraw/zinc/81/61/16/880816116.db2.gz PGNSSFHAJANOOH-PKOBYXMFSA-N 0 0 406.486 4.014 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)c2)cc1 ZINC000467051156 880843010 /nfs/dbraw/zinc/84/30/10/880843010.db2.gz MFUTZXUMWZNKKM-SFHVURJKSA-N 0 0 418.884 4.408 20 30 HIEDRN CN(C)C(=O)CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)c1ccccc1 ZINC000467108683 880867637 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C=CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000467194823 880922690 /nfs/dbraw/zinc/92/26/90/880922690.db2.gz DJOUHNUAJFATDL-UHFFFAOYSA-N 0 0 423.520 4.464 20 30 HIEDRN N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000467196835 880926562 /nfs/dbraw/zinc/92/65/62/880926562.db2.gz LZMJMMLEOORFTH-HNNXBMFYSA-N 0 0 408.296 4.297 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000467198972 880928073 /nfs/dbraw/zinc/92/80/73/880928073.db2.gz ZQFJJSBXROBDKZ-GOSISDBHSA-N 0 0 419.529 4.338 20 30 HIEDRN Cc1c(=O)[nH]c(SCc2nnc(-c3cccc(C#N)c3)o2)nc1-c1ccccc1 ZINC000467205735 880935695 /nfs/dbraw/zinc/93/56/95/880935695.db2.gz HNJBTQOEGZAREC-UHFFFAOYSA-N 0 0 401.451 4.372 20 30 HIEDRN C=CCOc1ccc(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)cc1OC ZINC000467210814 880941226 /nfs/dbraw/zinc/94/12/26/880941226.db2.gz FFARNJLWTJRZEU-HXUWFJFHSA-N 0 0 411.498 4.056 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1N ZINC000467268891 881009428 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HIEDRN N#Cc1ccc(CCC(=O)Nc2cc(F)c(F)cc2I)cc1 ZINC000467511438 881324970 /nfs/dbraw/zinc/32/49/70/881324970.db2.gz PAUCMUOPIXPCPY-UHFFFAOYSA-N 0 0 412.177 4.012 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000467511119 881326575 /nfs/dbraw/zinc/32/65/75/881326575.db2.gz KCLNCQJFVJDBDC-OAQYLSRUSA-N 0 0 417.509 4.213 20 30 HIEDRN C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000467516136 881330295 /nfs/dbraw/zinc/33/02/95/881330295.db2.gz GCJDYHSEINQLCP-JPYJTQIMSA-N 0 0 408.517 4.040 20 30 HIEDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469058990 883133911 /nfs/dbraw/zinc/13/39/11/883133911.db2.gz SVNLOUGTMPDJMO-QGZVFWFLSA-N 0 0 423.476 4.112 20 30 HIEDRN CC(C)C[C@@H](CCC(=O)N(CC#N)C1CCCC1)C(=O)N(CC#N)C1CCCC1 ZINC000469117822 883211425 /nfs/dbraw/zinc/21/14/25/883211425.db2.gz XOZJJQVJCXOCAA-LJQANCHMSA-N 0 0 400.567 4.018 20 30 HIEDRN CC(=O)N1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2C1 ZINC000469124658 883219527 /nfs/dbraw/zinc/21/95/27/883219527.db2.gz HADQCSGTTPGCHD-HSZRJFAPSA-N 0 0 416.525 4.175 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000469129175 883224689 /nfs/dbraw/zinc/22/46/89/883224689.db2.gz SHPLDWUNXOONSN-AWEZNQCLSA-N 0 0 401.919 4.429 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)on2)c1 ZINC000469156683 883253356 /nfs/dbraw/zinc/25/33/56/883253356.db2.gz UWOLEPDTLAZVOQ-SFHVURJKSA-N 0 0 403.413 4.087 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@H]3CCC(=O)Nc4ccc(F)cc43)ccc21 ZINC000469196799 883295647 /nfs/dbraw/zinc/29/56/47/883295647.db2.gz HUNVXUMORKZHJC-IBGZPJMESA-N 0 0 406.461 4.294 20 30 HIEDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469195669 883295668 /nfs/dbraw/zinc/29/56/68/883295668.db2.gz QRCFUXSGKIWNRH-IBGZPJMESA-N 0 0 411.465 4.176 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c2ccccc21 ZINC000469199705 883299089 /nfs/dbraw/zinc/29/90/89/883299089.db2.gz KAVRMFSVXZBSIT-QFIPXVFZSA-N 0 0 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CC(C)(COCc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000503632928 912734623 /nfs/dbraw/zinc/73/46/23/912734623.db2.gz BQEAKDZWFVCZQR-HXUWFJFHSA-N 0 0 409.505 4.025 20 30 HIEDRN CC(C)(COCc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000503632927 912735622 /nfs/dbraw/zinc/73/56/22/912735622.db2.gz BQEAKDZWFVCZQR-FQEVSTJZSA-N 0 0 409.505 4.025 20 30 HIEDRN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469485287 883718478 /nfs/dbraw/zinc/71/84/78/883718478.db2.gz DZGTUBZBECICOW-UHFFFAOYSA-N 0 0 411.509 4.462 20 30 HIEDRN CC(C)(C)NC(=O)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503643472 912748880 /nfs/dbraw/zinc/74/88/80/912748880.db2.gz NPVISAHDAJURRZ-UHFFFAOYSA-N 0 0 402.498 4.408 20 30 HIEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cc1 ZINC000503646070 912751312 /nfs/dbraw/zinc/75/13/12/912751312.db2.gz VFHITLOKJSZQCP-UHFFFAOYSA-N 0 0 407.832 4.273 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1Cl ZINC000469645884 883847552 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20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000475401847 890330382 /nfs/dbraw/zinc/33/03/82/890330382.db2.gz YPFDIPGOCHKJFA-UHFFFAOYSA-N 0 0 402.441 4.395 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3cnc(Cc4ccccc4F)s3)CC2)c1 ZINC000475412603 890339941 /nfs/dbraw/zinc/33/99/41/890339941.db2.gz CCDJQTVCDMECAQ-UHFFFAOYSA-N 0 0 421.497 4.428 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1cc(OCC)ncn1 ZINC000475442519 890361210 /nfs/dbraw/zinc/36/12/10/890361210.db2.gz GZEQZUBCOGEXRG-UHFFFAOYSA-N 0 0 403.895 4.036 20 30 HIEDRN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)n2)s1 ZINC000475465047 890375740 /nfs/dbraw/zinc/37/57/40/890375740.db2.gz AFGHGODRNYGWAY-KRWDZBQOSA-N 0 0 422.535 4.181 20 30 HIEDRN COc1ccc(NC(=O)c2cccc(NC(=O)C[C@@H](CC#N)c3ccccc3)c2)cn1 ZINC000475471165 890380532 /nfs/dbraw/zinc/38/05/32/890380532.db2.gz RQTJZRXOKZGWHG-GOSISDBHSA-N 0 0 414.465 4.369 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000475471609 890380705 /nfs/dbraw/zinc/38/07/05/890380705.db2.gz NRASMLCBAOHCAB-UHFFFAOYSA-N 0 0 423.238 4.333 20 30 HIEDRN C=C(C)COCCNC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000475476896 890385729 /nfs/dbraw/zinc/38/57/29/890385729.db2.gz JSTIXVBNTVCJID-UHFFFAOYSA-N 0 0 404.919 4.139 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000475530815 890455625 /nfs/dbraw/zinc/45/56/25/890455625.db2.gz OPNZRPIABNERBT-OAHLLOKOSA-N 0 0 403.916 4.347 20 30 HIEDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475538245 890464386 /nfs/dbraw/zinc/46/43/86/890464386.db2.gz RNHWZJZJOTZPTR-PZJWPPBQSA-N 0 0 418.541 4.208 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000475544289 890468916 /nfs/dbraw/zinc/46/89/16/890468916.db2.gz AMWOEVNTZKIZCO-UHFFFAOYSA-N 0 0 415.559 4.111 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000475565912 890495669 /nfs/dbraw/zinc/49/56/69/890495669.db2.gz XUYMWIAQDNBPAU-IBGZPJMESA-N 0 0 401.576 4.110 20 30 HIEDRN COc1ccc([C@H](NS(=O)(=O)CC2(C#N)CCCCC2)c2ccc(C)cc2)cc1 ZINC000475576730 890506527 /nfs/dbraw/zinc/50/65/27/890506527.db2.gz VNDZXWPAEOKOEW-JOCHJYFZSA-N 0 0 412.555 4.487 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1 ZINC000475580859 890509806 /nfs/dbraw/zinc/50/98/06/890509806.db2.gz MAMTXMKVMHOAIW-UHFFFAOYSA-N 0 0 417.849 4.017 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000475585814 890513690 /nfs/dbraw/zinc/51/36/90/890513690.db2.gz KRYURNBVDFLBJL-DEOSSOPVSA-N 0 0 419.525 4.028 20 30 HIEDRN COc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cccc1[N+](=O)[O-] ZINC000475590112 890516837 /nfs/dbraw/zinc/51/68/37/890516837.db2.gz PUAWQBZGXFBQSX-UHFFFAOYSA-N 0 0 403.394 4.306 20 30 HIEDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000475610946 890539967 /nfs/dbraw/zinc/53/99/67/890539967.db2.gz YJOXWXRTFPGSHX-FQEVSTJZSA-N 0 0 407.539 4.258 20 30 HIEDRN C=C(C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000475660476 890606203 /nfs/dbraw/zinc/60/62/03/890606203.db2.gz JGOIOWLDPINKLI-HSZRJFAPSA-N 0 0 411.452 4.425 20 30 HIEDRN CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000475662930 890609552 /nfs/dbraw/zinc/60/95/52/890609552.db2.gz RYEJREIENIXMFB-UHFFFAOYSA-N 0 0 422.529 4.361 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(F)c(F)c1 ZINC000475666173 890612515 /nfs/dbraw/zinc/61/25/15/890612515.db2.gz BOATUIGKXAEADS-OAQYLSRUSA-N 0 0 409.436 4.384 20 30 HIEDRN C=C[C@H](CC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 ZINC000475671878 890615840 /nfs/dbraw/zinc/61/58/40/890615840.db2.gz KDTPQZYJDYOWTR-QAPCUYQASA-N 0 0 402.416 4.287 20 30 HIEDRN C=C(C)[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(F)c(F)c1 ZINC000475675349 890618607 /nfs/dbraw/zinc/61/86/07/890618607.db2.gz NEEKKDVTRBQHKG-UXHICEINSA-N 0 0 400.425 4.130 20 30 HIEDRN CCCC(C#N)(CCC)NC(=O)c1cc(F)c(F)cc1I ZINC000475732949 890672805 /nfs/dbraw/zinc/67/28/05/890672805.db2.gz SQZBBRXAORWCLK-UHFFFAOYSA-N 0 0 406.214 4.162 20 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/nfs/dbraw/zinc/97/38/31/890973831.db2.gz XJAWKNKUQBXIJY-UHFFFAOYSA-N 0 0 424.570 4.425 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000476059236 890989602 /nfs/dbraw/zinc/98/96/02/890989602.db2.gz BATJJSYIOUDYFG-KRWDZBQOSA-N 0 0 417.431 4.395 20 30 HIEDRN N#Cc1cc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)ccn1 ZINC000476065264 890994236 /nfs/dbraw/zinc/99/42/36/890994236.db2.gz VZXASPZNGROWJZ-UHFFFAOYSA-N 0 0 412.236 4.160 20 30 HIEDRN COc1cccc(C2=CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)c1 ZINC000476126586 891048474 /nfs/dbraw/zinc/04/84/74/891048474.db2.gz AXQGQGJTCFOFBC-UHFFFAOYSA-N 0 0 406.482 4.050 20 30 HIEDRN CC(C)(C#N)CC(=O)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000476159914 891084717 /nfs/dbraw/zinc/08/47/17/891084717.db2.gz PGLYEBRGXYJASA-UHFFFAOYSA-N 0 0 411.268 4.293 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1 ZINC000476187007 891119802 /nfs/dbraw/zinc/11/98/02/891119802.db2.gz DYIMXEOPFMYYGQ-UHFFFAOYSA-N 0 0 406.877 4.247 20 30 HIEDRN N#Cc1ccc(CSCC(=O)NCc2ccc(Cl)s2)c(OC(F)F)c1 ZINC000476201567 891132007 /nfs/dbraw/zinc/13/20/07/891132007.db2.gz RINWFIXRSLHGGA-UHFFFAOYSA-N 0 0 402.875 4.424 20 30 HIEDRN CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000476203051 891133939 /nfs/dbraw/zinc/13/39/39/891133939.db2.gz WUONXLJGWIPVCX-HNNXBMFYSA-N 0 0 408.911 4.024 20 30 HIEDRN C[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)Oc1cccc(Br)c1 ZINC000476208344 891138681 /nfs/dbraw/zinc/13/86/81/891138681.db2.gz UXCAKGZPAKWTRS-RDJZCZTQSA-N 0 0 401.304 4.420 20 30 HIEDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476228514 891152382 /nfs/dbraw/zinc/15/23/82/891152382.db2.gz QLVGRNATAJFCMG-QGZVFWFLSA-N 0 0 413.905 4.189 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NCc2nccc3ccccc32)CC1 ZINC000476229592 891154384 /nfs/dbraw/zinc/15/43/84/891154384.db2.gz ISQDHIUAHRJKPO-UHFFFAOYSA-N 0 0 400.482 4.296 20 30 HIEDRN Cc1cccc(Oc2cc(CNS(=O)(=O)CC3(C#N)CCCCC3)ccn2)c1C ZINC000476315227 891223779 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N#CCCN(C(=O)CCC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC000482209287 897688033 /nfs/dbraw/zinc/68/80/33/897688033.db2.gz KJMDXKPKWUDIHL-AEFFLSMTSA-N 0 0 409.452 4.198 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c1 ZINC000482227205 897706240 /nfs/dbraw/zinc/70/62/40/897706240.db2.gz CFXKBJKWPNLECM-UHFFFAOYSA-N 0 0 421.766 4.071 20 30 HIEDRN CC(=O)NCC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000482260144 897743627 /nfs/dbraw/zinc/74/36/27/897743627.db2.gz RPUUDIJJSXVPEK-GOSISDBHSA-N 0 0 406.486 4.121 20 30 HIEDRN C=CCSCCNC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC000482278843 897769348 /nfs/dbraw/zinc/76/93/48/897769348.db2.gz YPTYVTKOBKVKJM-QGZVFWFLSA-N 0 0 412.481 4.311 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCc1cccn1C ZINC000482317655 897816870 /nfs/dbraw/zinc/81/68/70/897816870.db2.gz NONGLTMFIOSDAJ-UHFFFAOYSA-N 0 0 408.527 4.294 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000505505073 914194170 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HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC ZINC000482424096 897975815 /nfs/dbraw/zinc/97/58/15/897975815.db2.gz QOEBYTHOOPGKCX-HNNXBMFYSA-N 0 0 422.909 4.449 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000482472744 898047905 /nfs/dbraw/zinc/04/79/05/898047905.db2.gz FSLGDMPCSOOTGD-UHFFFAOYSA-N 0 0 422.533 4.328 20 30 HIEDRN N#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)C1CCCCC1 ZINC000482485170 898063939 /nfs/dbraw/zinc/06/39/39/898063939.db2.gz ZVEXXBCPFRXUNX-FCHUYYIVSA-N 0 0 420.513 4.167 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)c2)cc1 ZINC000482521029 898108655 /nfs/dbraw/zinc/10/86/55/898108655.db2.gz WHNAMTOTQPXXTE-LJQANCHMSA-N 0 0 418.478 4.050 20 30 HIEDRN C=CCN(C(=O)[C@H](C)c1cc2ccccc2o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000482521863 898110043 /nfs/dbraw/zinc/11/00/43/898110043.db2.gz CTJCCWYZWVKGMY-SJORKVTESA-N 0 0 401.470 4.288 20 30 HIEDRN C=CCN(C(=O)[C@H](CC)Oc1ccccc1Cl)c1nc(C(=O)OCC)cs1 ZINC000482529383 898116746 /nfs/dbraw/zinc/11/67/46/898116746.db2.gz FZFQLCZXFMTKOQ-HNNXBMFYSA-N 0 0 408.907 4.350 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000482536256 898123843 /nfs/dbraw/zinc/12/38/43/898123843.db2.gz YMFLEHZTSVIMIM-UHFFFAOYSA-N 0 0 424.460 4.114 20 30 HIEDRN COc1cc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)ccc1OC1CCCC1 ZINC000482546744 898136429 /nfs/dbraw/zinc/13/64/29/898136429.db2.gz BZGQKQHGJOGRQJ-UHFFFAOYSA-N 0 0 405.498 4.377 20 30 HIEDRN C=CCN(C(=O)Nc1ccc2occ(C)c2c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000482552793 898143575 /nfs/dbraw/zinc/14/35/75/898143575.db2.gz FIEPOOPNXYLCSE-MRXNPFEDSA-N 0 0 402.458 4.498 20 30 HIEDRN CC(=O)N(CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505532138 914228177 /nfs/dbraw/zinc/22/81/77/914228177.db2.gz IRPSMYVXHJLQTP-SFHVURJKSA-N 0 0 404.297 4.113 20 30 HIEDRN CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1Cl ZINC000482588997 898187697 /nfs/dbraw/zinc/18/76/97/898187697.db2.gz ZOARMZKOMLJQCR-AWEZNQCLSA-N 0 0 403.873 4.465 20 30 HIEDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CCC#N)CC(F)(F)F ZINC000482656189 898260122 /nfs/dbraw/zinc/26/01/22/898260122.db2.gz FGNVRZNNGUVOQB-UHFFFAOYSA-N 0 0 412.843 4.298 20 30 HIEDRN N#C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1c(Cl)cccc1Cl ZINC000505540516 914235675 /nfs/dbraw/zinc/23/56/75/914235675.db2.gz OYQNTFHPUPWTFP-OAHLLOKOSA-N 0 0 423.687 4.171 20 30 HIEDRN CCOc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000505541312 914237556 /nfs/dbraw/zinc/23/75/56/914237556.db2.gz XDVJUACQWRRRRX-CYBMUJFWSA-N 0 0 424.240 4.304 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000482695112 898295080 /nfs/dbraw/zinc/29/50/80/898295080.db2.gz PSSUTJWUOCDUIS-HNNXBMFYSA-N 0 0 413.905 4.286 20 30 HIEDRN Cc1c2ccccc2oc1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)C ZINC000482704628 898304199 /nfs/dbraw/zinc/30/41/99/898304199.db2.gz FWCNKFIBUXULSJ-JOCHJYFZSA-N 0 0 424.522 4.041 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000482760173 898367031 /nfs/dbraw/zinc/36/70/31/898367031.db2.gz OKNMRRNCXNUQRO-ZDUSSCGKSA-N 0 0 408.424 4.122 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(OC)c1OC ZINC000505547828 914246902 /nfs/dbraw/zinc/24/69/02/914246902.db2.gz VLAGDXLJBSJYNT-SFHVURJKSA-N 0 0 412.461 4.044 20 30 HIEDRN CC[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Oc1ccccc1F ZINC000482774414 898381414 /nfs/dbraw/zinc/38/14/14/898381414.db2.gz SJWWEEVQVCDGJN-KRWDZBQOSA-N 0 0 408.429 4.457 20 30 HIEDRN CC[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Oc1ccccc1F ZINC000482773735 898381490 /nfs/dbraw/zinc/38/14/90/898381490.db2.gz RRXXZBPJXOSJCM-SFHVURJKSA-N 0 0 408.429 4.457 20 30 HIEDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000505547938 914247689 /nfs/dbraw/zinc/24/76/89/914247689.db2.gz WQPQVLRVNRKUEW-OALUTQOASA-N 0 0 416.308 4.210 20 30 HIEDRN CC1(C#N)CCN(CCOc2c(Br)cccc2Br)CC1 ZINC000482813102 898423217 /nfs/dbraw/zinc/42/32/17/898423217.db2.gz ZNUBMCYXSOZTBM-UHFFFAOYSA-N 0 0 402.130 4.216 20 30 HIEDRN CCCC[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000505549554 914251464 /nfs/dbraw/zinc/25/14/64/914251464.db2.gz KOTZUAKTVVGLAM-QFIPXVFZSA-N 0 0 404.514 4.086 20 30 HIEDRN CCCC[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000505549553 914251622 /nfs/dbraw/zinc/25/16/22/914251622.db2.gz KOTZUAKTVVGLAM-JOCHJYFZSA-N 0 0 404.514 4.086 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000482840901 898450749 /nfs/dbraw/zinc/45/07/49/898450749.db2.gz KFMPIGHYUOWYGP-FQEVSTJZSA-N 0 0 413.436 4.070 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000482909355 898528870 /nfs/dbraw/zinc/52/88/70/898528870.db2.gz CDOLCAAFIDWMHM-UHFFFAOYSA-N 0 0 424.632 4.060 20 30 HIEDRN COc1ccccc1[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCN1 ZINC000505557674 914260886 /nfs/dbraw/zinc/26/08/86/914260886.db2.gz LMLOTUCMEHKVSO-QHCPKHFHSA-N 0 0 412.493 4.097 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N(C[C@H]3CCCO3)[C@@H]3CCSC3)c2)cc1 ZINC000482928641 898550276 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Cc1ccc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC1CCOCC1 ZINC000485411363 900709112 /nfs/dbraw/zinc/70/91/12/900709112.db2.gz JYKJMGCRRASYOA-HSZRJFAPSA-N 0 0 419.525 4.280 20 30 HIEDRN CN(C(=O)[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1)c1ccccc1 ZINC000485419766 900717054 /nfs/dbraw/zinc/71/70/54/900717054.db2.gz KMIGOTFPUYKMFI-CQSZACIVSA-N 0 0 408.864 4.388 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485440356 900737256 /nfs/dbraw/zinc/73/72/56/900737256.db2.gz PJLSDCDJSOBZHN-UHFFFAOYSA-N 0 0 417.387 4.339 20 30 HIEDRN C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000485455398 900750665 /nfs/dbraw/zinc/75/06/65/900750665.db2.gz KVUXPFFQYJZWLJ-UHFFFAOYSA-N 0 0 418.921 4.355 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)Cc3ccc(F)cc3Br)CC2)c1 ZINC000485465437 900759936 /nfs/dbraw/zinc/75/99/36/900759936.db2.gz MOMJELJURQZLLW-UHFFFAOYSA-N 0 0 417.278 4.072 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1ccc(Cl)cc1 ZINC000505818678 914475726 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VKBAQXZMEPGPSF-WWNPGLIZSA-N 0 0 403.526 4.393 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000505824947 914481285 /nfs/dbraw/zinc/48/12/85/914481285.db2.gz HJEUUTXLUWWBQU-RTBURBONSA-N 0 0 419.554 4.339 20 30 HIEDRN Cc1ccc(NC(=O)CSCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)cc1 ZINC000505830081 914483670 /nfs/dbraw/zinc/48/36/70/914483670.db2.gz BKDLWOAELGZPMA-HXUWFJFHSA-N 0 0 409.555 4.345 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)cc2)c(C)c1Cl ZINC000505832876 914485387 /nfs/dbraw/zinc/48/53/87/914485387.db2.gz NKMUTIOXTYMVPG-DENIHFKCSA-N 0 0 412.921 4.210 20 30 HIEDRN Cc1cc(C)c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1Br ZINC000485644799 900896552 /nfs/dbraw/zinc/89/65/52/900896552.db2.gz RRFHSMXTKHOIND-UHFFFAOYSA-N 0 0 402.292 4.226 20 30 HIEDRN COc1ccc(CCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1Br ZINC000505838532 914489663 /nfs/dbraw/zinc/48/96/63/914489663.db2.gz MPJCLWYIVGWEGM-INIZCTEOSA-N 0 0 407.695 4.425 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000505836748 914489776 /nfs/dbraw/zinc/48/97/76/914489776.db2.gz CTEGVGFNNJDIHW-WMLDXEAASA-N 0 0 422.838 4.351 20 30 HIEDRN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000485675410 900926057 /nfs/dbraw/zinc/92/60/57/900926057.db2.gz GCTIVUWCCZVDPJ-MRXNPFEDSA-N 0 0 401.304 4.023 20 30 HIEDRN N#C[C@H]1N(C(=O)CN(Cc2ccccc2)c2ccccc2)CCC[C@@]12CCCCO2 ZINC000505840673 914491597 /nfs/dbraw/zinc/49/15/97/914491597.db2.gz ZXQMPPIQUIYJLE-NOZRDPDXSA-N 0 0 403.526 4.147 20 30 HIEDRN CCN(C(=O)c1cc(Br)c(C)nc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000485731316 900984110 /nfs/dbraw/zinc/98/41/10/900984110.db2.gz MFBRPYDKCRVGFM-CYBMUJFWSA-N 0 0 402.292 4.256 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000505849143 914498020 /nfs/dbraw/zinc/49/80/20/914498020.db2.gz FFCXNCJAHJAPMC-UHFFFAOYSA-N 0 0 410.371 4.500 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)C[C@H](O)Cc3ccccc3)c2)cc1 ZINC000485791407 901043924 /nfs/dbraw/zinc/04/39/24/901043924.db2.gz SSUSJMHGEWLJIZ-HSZRJFAPSA-N 0 0 400.478 4.264 20 30 HIEDRN CC(=O)N(c1nc(CN(CCC#N)Cc2cccnc2)cs1)c1ccc(C)cc1 ZINC000505852846 914501253 /nfs/dbraw/zinc/50/12/53/914501253.db2.gz BEBVFOMJWMGOIU-UHFFFAOYSA-N 0 0 405.527 4.447 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)[nH]1 ZINC000485816256 901064839 /nfs/dbraw/zinc/06/48/39/901064839.db2.gz NQCNBCYRUDMVOU-JOCHJYFZSA-N 0 0 404.901 4.087 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(c2ccccc2)[C@H]2CCOC2)nnc1-c1ccco1 ZINC000485817529 901065795 /nfs/dbraw/zinc/06/57/95/901065795.db2.gz PHWPBNZSPWZMCW-SFHVURJKSA-N 0 0 424.526 4.028 20 30 HIEDRN COC(=O)Cc1sc(NC(=O)C2(c3ccc(C#N)cc3)CC2)nc1-c1ccccc1 ZINC000485925231 901150932 /nfs/dbraw/zinc/15/09/32/901150932.db2.gz VLEOAAWXTCLZSI-UHFFFAOYSA-N 0 0 417.490 4.068 20 30 HIEDRN Cc1csc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1Br ZINC000485966581 901182763 /nfs/dbraw/zinc/18/27/63/901182763.db2.gz PQFUMRAZFGWYTM-UHFFFAOYSA-N 0 0 420.332 4.206 20 30 HIEDRN C[C@H](Oc1ccccc1Br)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000485982413 901201712 /nfs/dbraw/zinc/20/17/12/901201712.db2.gz KGAJSYPZDXPORW-YWZLYKJASA-N 0 0 401.304 4.248 20 30 HIEDRN COc1cc(/C=C/c2nc3ccccc3n2CC#N)c([N+](=O)[O-])cc1OCC(F)F ZINC000485989812 901207984 /nfs/dbraw/zinc/20/79/84/901207984.db2.gz YYGWIUJUEFNTNN-VOTSOKGWSA-N 0 0 414.368 4.291 20 30 HIEDRN CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000485994990 901211144 /nfs/dbraw/zinc/21/11/44/901211144.db2.gz XHPYUZBTAMRADA-JPYJTQIMSA-N 0 0 403.526 4.093 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC(c3ccsc3)CC2)c1C#N ZINC000485995834 901212571 /nfs/dbraw/zinc/21/25/71/901212571.db2.gz KDTRVCNFXQKSCY-UHFFFAOYSA-N 0 0 422.554 4.498 20 30 HIEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2=O)cc1 ZINC000485995079 901213231 /nfs/dbraw/zinc/21/32/31/901213231.db2.gz YHHOATPUQXCFJZ-QHCPKHFHSA-N 0 0 401.510 4.137 20 30 HIEDRN N#Cc1ccc(/C=C\c2nc3ccc(Br)cn3c(=O)c2Cl)c(F)c1 ZINC000486026552 901232892 /nfs/dbraw/zinc/23/28/92/901232892.db2.gz LSLDISHZMGCOCQ-HYXAFXHYSA-N 0 0 404.626 4.292 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2c(F)cc(F)cc2C1 ZINC000486134283 901322456 /nfs/dbraw/zinc/32/24/56/901322456.db2.gz COBSTVCKHZTEJF-CQSZACIVSA-N 0 0 401.482 4.213 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)NCc3noc(-c4cccc(F)c4)n3)c2)cc1 ZINC000505880201 914526790 /nfs/dbraw/zinc/52/67/90/914526790.db2.gz REYJXRZRISYPPA-UHFFFAOYSA-N 0 0 413.412 4.421 20 30 HIEDRN C[C@@H](Cc1cncc2ccccc21)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000486185149 901370824 /nfs/dbraw/zinc/37/08/24/901370824.db2.gz PYIRNDLHAMUCDX-KRWDZBQOSA-N 0 0 401.466 4.131 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000486193387 901377663 /nfs/dbraw/zinc/37/76/63/901377663.db2.gz ODPBCXDLBLBPHV-UHFFFAOYSA-N 0 0 419.915 4.279 20 30 HIEDRN Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc(C)c1OC(F)F ZINC000486193805 901378702 /nfs/dbraw/zinc/37/87/02/901378702.db2.gz DCRNDENRACKOAP-UHFFFAOYSA-N 0 0 402.397 4.237 20 30 HIEDRN N#CCCN(C(=O)c1cccc(OCc2cscn2)c1)c1ccc2c(c1)OCCO2 ZINC000486195584 901380375 /nfs/dbraw/zinc/38/03/75/901380375.db2.gz GTQQBOATEKTSBD-UHFFFAOYSA-N 0 0 421.478 4.054 20 30 HIEDRN Cc1cc(C)c(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cc1Br ZINC000486218481 901400566 /nfs/dbraw/zinc/40/05/66/901400566.db2.gz RQLJDBGSCYDSRT-KRWDZBQOSA-N 0 0 414.303 4.166 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000486242610 901425724 /nfs/dbraw/zinc/42/57/24/901425724.db2.gz GUGWMXORCVSNLT-UHFFFAOYSA-N 0 0 409.442 4.224 20 30 HIEDRN Cc1cn2c(n1)[C@@H](CNC(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)CCC2 ZINC000505893211 914535536 /nfs/dbraw/zinc/53/55/36/914535536.db2.gz NBQWFOKJOBLHHD-QGZVFWFLSA-N 0 0 404.445 4.302 20 30 HIEDRN N#CCC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)c1ccccc1 ZINC000486287793 901470009 /nfs/dbraw/zinc/47/00/09/901470009.db2.gz YTZGIFSAHIPUGS-IRXDYDNUSA-N 0 0 412.287 4.036 20 30 HIEDRN Cc1nc(CCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)oc1-c1ccccc1 ZINC000486295781 901476224 /nfs/dbraw/zinc/47/62/24/901476224.db2.gz AAPUWMDRHPHGOG-UHFFFAOYSA-N 0 0 417.465 4.301 20 30 HIEDRN CCCc1nc(C)c(NC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000486318004 901494866 /nfs/dbraw/zinc/49/48/66/901494866.db2.gz IIUJUHZFHWXZPE-UHFFFAOYSA-N 0 0 420.542 4.178 20 30 HIEDRN COC(=O)c1c(C)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1Br ZINC000486329151 901505544 /nfs/dbraw/zinc/50/55/44/901505544.db2.gz PDJJVDPLWVRXAY-UHFFFAOYSA-N 0 0 413.271 4.352 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000486422737 901580853 /nfs/dbraw/zinc/58/08/53/901580853.db2.gz MPIAAQJFVQILBH-UHFFFAOYSA-N 0 0 421.298 4.234 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000486437551 901595988 /nfs/dbraw/zinc/59/59/88/901595988.db2.gz XMBOBNFTGRGEBZ-GOSISDBHSA-N 0 0 402.281 4.044 20 30 HIEDRN N#C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1F ZINC000486437368 901596240 /nfs/dbraw/zinc/59/62/40/901596240.db2.gz OSVKYMQREHIPNV-HXUWFJFHSA-N 0 0 405.385 4.308 20 30 HIEDRN Cc1c2cc(C)ccc2sc1C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000486458095 901618451 /nfs/dbraw/zinc/61/84/51/901618451.db2.gz JHAVYWGGTCMTPA-NPMXOYFQSA-N 0 0 401.491 4.004 20 30 HIEDRN Cc1nc(SCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)c(C#N)c(C)c1C ZINC000505907629 914551241 /nfs/dbraw/zinc/55/12/41/914551241.db2.gz UHBLSMXTAVBJJW-QGZVFWFLSA-N 0 0 415.584 4.240 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000486504073 901654007 /nfs/dbraw/zinc/65/40/07/901654007.db2.gz DAVKLECKJPUGLS-INIZCTEOSA-N 0 0 408.502 4.426 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CCO[C@@H](C4CC4)C3)cc2Cl)c1 ZINC000486516997 901668188 /nfs/dbraw/zinc/66/81/88/901668188.db2.gz IACMRBHLUWKDAT-OAQYLSRUSA-N 0 0 411.889 4.433 20 30 HIEDRN COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505913184 914555855 /nfs/dbraw/zinc/55/58/55/914555855.db2.gz RFRNNJMUNJQAQW-INIZCTEOSA-N 0 0 401.253 4.182 20 30 HIEDRN CC(=O)CCc1ccc(OCCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000505913444 914555955 /nfs/dbraw/zinc/55/59/55/914555955.db2.gz UAQZFEKWBSOOKO-FQEVSTJZSA-N 0 0 418.415 4.377 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000486531645 901681677 /nfs/dbraw/zinc/68/16/77/901681677.db2.gz BDFGHEGRPQVCKM-BDTNDASRSA-N 0 0 412.497 4.329 20 30 HIEDRN C=CCn1c(SCc2nc(-c3cc(F)c(F)c(F)c3)no2)nnc1-c1ccco1 ZINC000486624271 901758613 /nfs/dbraw/zinc/75/86/13/901758613.db2.gz NNVOTHJZZCVEMC-UHFFFAOYSA-N 0 0 419.388 4.484 20 30 HIEDRN N#Cc1cccnc1N1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000486624624 901759121 /nfs/dbraw/zinc/75/91/21/901759121.db2.gz GVJQGSHTHUKLLS-UHFFFAOYSA-N 0 0 415.324 4.031 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)ccc1Cl ZINC000486628960 901763755 /nfs/dbraw/zinc/76/37/55/901763755.db2.gz PPXOIAUAFCPFCE-QFIPXVFZSA-N 0 0 415.880 4.324 20 30 HIEDRN COc1ccc(C2=NN(C(=O)COc3ccc(C#N)cc3F)[C@@H](c3ccco3)C2)cc1 ZINC000486659134 901780385 /nfs/dbraw/zinc/78/03/85/901780385.db2.gz AQSUYLFOLKHPAY-HXUWFJFHSA-N 0 0 419.412 4.056 20 30 HIEDRN Cc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000505923697 914570969 /nfs/dbraw/zinc/57/09/69/914570969.db2.gz XIQHYMSNNRZFDA-RTBURBONSA-N 0 0 417.431 4.149 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(Cl)c(I)c1)c1ccccc1F ZINC000505921755 914568335 /nfs/dbraw/zinc/56/83/35/914568335.db2.gz AXROYDWSLMRGRW-AWEZNQCLSA-N 0 0 414.605 4.078 20 30 HIEDRN COc1cc(-c2noc(CSCc3cc(F)ccc3C#N)n2)cc(OC)c1OC ZINC000486761626 901836082 /nfs/dbraw/zinc/83/60/82/901836082.db2.gz LCTURTZVTFGVKR-UHFFFAOYSA-N 0 0 415.446 4.207 20 30 HIEDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cccc(OCc4ccccc4C#N)c3)n2)c1 ZINC000486789304 901854967 /nfs/dbraw/zinc/85/49/67/901854967.db2.gz RHEJOMGRDJIPML-GOSISDBHSA-N 0 0 424.508 4.477 20 30 HIEDRN COc1ccc(C2(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCCC2)cc1 ZINC000505924206 914572893 /nfs/dbraw/zinc/57/28/93/914572893.db2.gz CZOPOIOKAWOKOE-HSZRJFAPSA-N 0 0 414.546 4.275 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2c[nH]c3cccc(OC)c23)cc1 ZINC000486827784 901880245 /nfs/dbraw/zinc/88/02/45/901880245.db2.gz UCRQYLOEDGGAKK-UHFFFAOYSA-N 0 0 403.482 4.172 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)s1 ZINC000486833942 901883947 /nfs/dbraw/zinc/88/39/47/901883947.db2.gz LUISCTKTNODLME-UHFFFAOYSA-N 0 0 417.899 4.326 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1Cl ZINC000486834911 901885566 /nfs/dbraw/zinc/88/55/66/901885566.db2.gz PMMBSQNCJPSRQL-UHFFFAOYSA-N 0 0 417.849 4.017 20 30 HIEDRN C[C@@H](NC(=O)N1CCO[C@H](COCC2CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000486867537 901912774 /nfs/dbraw/zinc/91/27/74/901912774.db2.gz MJAJCXZTOGYCHK-KOSHJBKYSA-N 0 0 419.525 4.123 20 30 HIEDRN C[C@H](NC(=O)N1CCO[C@H](COCC2CC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000486867539 901913820 /nfs/dbraw/zinc/91/38/20/901913820.db2.gz MJAJCXZTOGYCHK-UUOWRZLLSA-N 0 0 419.525 4.123 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1ccc(Cl)c(Cl)c1 ZINC000505928606 914578529 /nfs/dbraw/zinc/57/85/29/914578529.db2.gz 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N#C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1 ZINC000499430558 908792417 /nfs/dbraw/zinc/79/24/17/908792417.db2.gz JVGUESGLWGMXLM-AWEZNQCLSA-N 0 0 412.056 4.345 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000499429243 908793168 /nfs/dbraw/zinc/79/31/68/908793168.db2.gz BHQHQWRKMNHHRZ-UHFFFAOYSA-N 0 0 408.479 4.307 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000499440663 908800764 /nfs/dbraw/zinc/80/07/64/908800764.db2.gz YFAVXNLTBAZJRZ-HNNXBMFYSA-N 0 0 413.193 4.385 20 30 HIEDRN C=CCn1c(SCCCn2ccnc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000499470463 908808455 /nfs/dbraw/zinc/80/84/55/908808455.db2.gz NQLLVKFCCHUSKF-CQSZACIVSA-N 0 0 400.573 4.148 20 30 HIEDRN CCNC(=O)c1cccc(NC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000499476657 908810758 /nfs/dbraw/zinc/81/07/58/908810758.db2.gz WEGYMPUWICLQLV-UHFFFAOYSA-N 0 0 407.417 4.058 20 30 HIEDRN COc1cc(NC(=O)C2(C#N)CCCCC2)c(OC)cc1NC(=O)c1ccccc1 ZINC000512971462 921446068 /nfs/dbraw/zinc/44/60/68/921446068.db2.gz 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CC[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](O)C(F)(F)F ZINC000499607548 908854394 /nfs/dbraw/zinc/85/43/94/908854394.db2.gz PXDVSQSRXCSZJK-MOPGFXCFSA-N 0 0 421.419 4.155 20 30 HIEDRN C[C@@H](CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000499611836 908855425 /nfs/dbraw/zinc/85/54/25/908855425.db2.gz VWVZOZJSFSWURJ-KRWDZBQOSA-N 0 0 417.469 4.296 20 30 HIEDRN C=CCN1CC[C@@H](N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)C1=O ZINC000499628224 908860554 /nfs/dbraw/zinc/86/05/54/908860554.db2.gz WMNPIULQJOQTNE-SWLSCSKDSA-N 0 0 406.349 4.010 20 30 HIEDRN CN(C(=O)[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1)c1ccccc1 ZINC000499680474 908875054 /nfs/dbraw/zinc/87/50/54/908875054.db2.gz LTSGRZBXXSXBSQ-IBGZPJMESA-N 0 0 414.509 4.070 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000499683188 908876087 /nfs/dbraw/zinc/87/60/87/908876087.db2.gz GAOCTNRTOLLKFR-QGZVFWFLSA-N 0 0 411.461 4.167 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)CCc2cc(Br)cs2)cc1 ZINC000499697536 908880626 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CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)s1 ZINC000543873768 940220005 /nfs/dbraw/zinc/22/00/05/940220005.db2.gz GQLNALRCZOIMJP-NSHDSACASA-N 0 0 401.879 4.122 20 30 HIEDRN Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nn1-c1ccc(F)cc1 ZINC000543873892 940220428 /nfs/dbraw/zinc/22/04/28/940220428.db2.gz OXMPRUIQHXVAFK-UHFFFAOYSA-N 0 0 420.835 4.283 20 30 HIEDRN Cn1cc(-c2ccc(F)c(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)c2)cn1 ZINC000543880984 940223407 /nfs/dbraw/zinc/22/34/07/940223407.db2.gz XFHULRXPQPPNPJ-UHFFFAOYSA-N 0 0 409.305 4.183 20 30 HIEDRN C[C@@H](NC(=O)NCc1n[nH]cc1Br)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543880411 940223461 /nfs/dbraw/zinc/22/34/61/940223461.db2.gz OQAVWCORAVULTE-CYBMUJFWSA-N 0 0 424.302 4.271 20 30 HIEDRN COC(=O)c1cncc(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543881436 940224023 /nfs/dbraw/zinc/22/40/23/940224023.db2.gz PCDKSQXSKLYBBO-HNNXBMFYSA-N 0 0 400.438 4.290 20 30 HIEDRN COc1ccc([C@@H]2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)cc1 ZINC000543884188 940225376 /nfs/dbraw/zinc/22/53/76/940225376.db2.gz IVIUJCMLAARGCG-MRXNPFEDSA-N 0 0 421.888 4.427 20 30 HIEDRN CCc1ccc([C@@H](COC)NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)o1 ZINC000543886452 940226032 /nfs/dbraw/zinc/22/60/32/940226032.db2.gz PWUDXLOTYYAKSB-MRXNPFEDSA-N 0 0 413.865 4.062 20 30 HIEDRN CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000543886269 940226077 /nfs/dbraw/zinc/22/60/77/940226077.db2.gz LWIAVDPCKLTMSX-MRXNPFEDSA-N 0 0 401.898 4.066 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)n2)c(F)c1 ZINC000543888410 940227311 /nfs/dbraw/zinc/22/73/11/940227311.db2.gz MBJYEQRCHLYUPA-FXAWDEMLSA-N 0 0 419.460 4.172 20 30 HIEDRN COc1cc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)ccc1NC(C)=O ZINC000543889942 940228058 /nfs/dbraw/zinc/22/80/58/940228058.db2.gz XNXQDXCJSXAOLK-UHFFFAOYSA-N 0 0 424.848 4.008 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCc3ccccc3OC(F)F)n2)c(Cl)c1 ZINC000543890703 940228822 /nfs/dbraw/zinc/22/88/22/940228822.db2.gz WSJIBLWDGKABCV-UHFFFAOYSA-N 0 0 417.803 4.320 20 30 HIEDRN COc1nc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc2ccccc21 ZINC000543898693 940232274 /nfs/dbraw/zinc/23/22/74/940232274.db2.gz PMPQJYRLYFMHMN-UHFFFAOYSA-N 0 0 403.829 4.206 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Br)s2)n1 ZINC000543908621 940238178 /nfs/dbraw/zinc/23/81/78/940238178.db2.gz KJEWXXXFWSWRIE-UHFFFAOYSA-N 0 0 407.680 4.474 20 30 HIEDRN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543917925 940245528 /nfs/dbraw/zinc/24/55/28/940245528.db2.gz QXTYCMWVQDSDOY-IIBYNOLFSA-N 0 0 407.539 4.104 20 30 HIEDRN N#Cc1ccc(CSCC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000543921152 940246066 /nfs/dbraw/zinc/24/60/66/940246066.db2.gz CYOZNFCEAKZOEK-LJQANCHMSA-N 0 0 420.456 4.410 20 30 HIEDRN Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543924463 940248714 /nfs/dbraw/zinc/24/87/14/940248714.db2.gz QLDVAYIWNQNMTA-INIZCTEOSA-N 0 0 401.441 4.489 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000543933644 940253071 /nfs/dbraw/zinc/25/30/71/940253071.db2.gz WZWJKUDQERKUAO-UHFFFAOYSA-N 0 0 424.798 4.318 20 30 HIEDRN CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000543942339 940257485 /nfs/dbraw/zinc/25/74/85/940257485.db2.gz GXSLOWVVKFJBLK-SFHVURJKSA-N 0 0 418.541 4.234 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1OCCO ZINC000543953791 940268052 /nfs/dbraw/zinc/26/80/52/940268052.db2.gz KRRNNFSODNKYKX-UHFFFAOYSA-N 0 0 402.450 4.069 20 30 HIEDRN O=C(CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)NCC1CC1 ZINC000543980998 940282495 /nfs/dbraw/zinc/28/24/95/940282495.db2.gz XICLNPDKQXMIJP-ZDUSSCGKSA-N 0 0 422.291 4.443 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CCC(CCCO)CC2)cc1OCC ZINC000544029544 940304622 /nfs/dbraw/zinc/30/46/22/940304622.db2.gz BPDDUQUBCFJURG-UHFFFAOYSA-N 0 0 412.368 4.397 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CC(=O)Nc3c(F)cccc32)cc1 ZINC000544037635 940307140 /nfs/dbraw/zinc/30/71/40/940307140.db2.gz QNQMJDVHLXFEGW-UHFFFAOYSA-N 0 0 403.438 4.447 20 30 HIEDRN N#Cc1ccc(CN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C2CC2)cc1 ZINC000544111260 940328796 /nfs/dbraw/zinc/32/87/96/940328796.db2.gz PHIWDVICQHFTOT-UHFFFAOYSA-N 0 0 420.513 4.348 20 30 HIEDRN Cc1c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC000544166819 940341549 /nfs/dbraw/zinc/34/15/49/940341549.db2.gz PXJZNCXYOHEUAT-UHFFFAOYSA-N 0 0 409.852 4.045 20 30 HIEDRN CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000544200070 940351930 /nfs/dbraw/zinc/35/19/30/940351930.db2.gz DMGBNCOELKADOS-HXUWFJFHSA-N 0 0 419.525 4.165 20 30 HIEDRN C=CCn1c(SCc2nnc(CC)[nH]2)nc2scc(-c3cccs3)c2c1=O ZINC000544208617 940354984 /nfs/dbraw/zinc/35/49/84/940354984.db2.gz XRLHHTHOYDGCAG-UHFFFAOYSA-N 0 0 415.569 4.345 20 30 HIEDRN C=C[C@@H](Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1)c1ccccc1 ZINC000544218726 940357617 /nfs/dbraw/zinc/35/76/17/940357617.db2.gz MLBFTABGQROLEL-KRWDZBQOSA-N 0 0 409.511 4.033 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOCC2(CCOCC2)C1 ZINC000544223198 940358939 /nfs/dbraw/zinc/35/89/39/940358939.db2.gz ZOABTEISOADXAH-UHFFFAOYSA-N 0 0 421.497 4.320 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544227694 940360721 /nfs/dbraw/zinc/36/07/21/940360721.db2.gz NCOQLOJVKSSMAQ-QFIPXVFZSA-N 0 0 420.557 4.040 20 30 HIEDRN CCN(CC)C(=O)Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000544234279 940363079 /nfs/dbraw/zinc/36/30/79/940363079.db2.gz BCJULUWPQGCRPC-UHFFFAOYSA-N 0 0 404.514 4.166 20 30 HIEDRN Cc1nn(CC(F)(F)F)cc1C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000544265816 940373038 /nfs/dbraw/zinc/37/30/38/940373038.db2.gz MILHFPPFMAWOCN-GFCCVEGCSA-N 0 0 401.257 4.065 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000544271872 940375472 /nfs/dbraw/zinc/37/54/72/940375472.db2.gz YKXFAUCXVXUBEA-UHFFFAOYSA-N 0 0 408.483 4.275 20 30 HIEDRN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000544300909 940383973 /nfs/dbraw/zinc/38/39/73/940383973.db2.gz OOYKVRCKMWUJNL-FPOVZHCZSA-N 0 0 415.501 4.225 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HIEDRN N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)cc1Cl ZINC000547960813 941080850 /nfs/dbraw/zinc/08/08/50/941080850.db2.gz QOKRTYIGAUFLOG-UHFFFAOYSA-N 0 0 401.857 4.451 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547991859 941082468 /nfs/dbraw/zinc/08/24/68/941082468.db2.gz WZLFAYNDXODYHS-FQEVSTJZSA-N 0 0 401.413 4.229 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)ccc1OCCC(C)C ZINC000548072832 941085597 /nfs/dbraw/zinc/08/55/97/941085597.db2.gz LXMMNPOIEGLNIU-GGAORHGYSA-N 0 0 400.519 4.188 20 30 HIEDRN CC1(C)CC(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000548088122 941086207 /nfs/dbraw/zinc/08/62/07/941086207.db2.gz ZPFIBFXILUCOIR-LJQANCHMSA-N 0 0 409.917 4.486 20 30 HIEDRN C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000548122977 941087783 /nfs/dbraw/zinc/08/77/83/941087783.db2.gz RXJKZRGYLYIYGV-SFHVURJKSA-N 0 0 413.543 4.115 20 30 HIEDRN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000548175072 941090685 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N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1Cl ZINC000548632910 941116767 /nfs/dbraw/zinc/11/67/67/941116767.db2.gz OLJXLDZYLPUKIJ-KRWDZBQOSA-N 0 0 405.679 4.188 20 30 HIEDRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)s2)cc1 ZINC000548728085 941121739 /nfs/dbraw/zinc/12/17/39/941121739.db2.gz BLSPHFSDKPORAS-PGRDOPGGSA-N 0 0 411.527 4.195 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000548750734 941122843 /nfs/dbraw/zinc/12/28/43/941122843.db2.gz YUILHHSFKGUVLX-MRXNPFEDSA-N 0 0 423.498 4.162 20 30 HIEDRN COCCCC[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000548759135 941122871 /nfs/dbraw/zinc/12/28/71/941122871.db2.gz XSIFQOCKCUMLME-OAQYLSRUSA-N 0 0 406.530 4.206 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548774488 941123481 /nfs/dbraw/zinc/12/34/81/941123481.db2.gz FDMAGDXDKYRKLC-CQSZACIVSA-N 0 0 404.297 4.240 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000548808511 941124946 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20 30 HIEDRN Cc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1NC(=O)C(C)(C)C ZINC000548882263 941127869 /nfs/dbraw/zinc/12/78/69/941127869.db2.gz WBMNCMXRIMEXFJ-UHFFFAOYSA-N 0 0 419.529 4.464 20 30 HIEDRN COc1ccc2ccccc2c1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548898641 941128346 /nfs/dbraw/zinc/12/83/46/941128346.db2.gz VCHYAXKGDOCPQP-UHFFFAOYSA-N 0 0 400.482 4.010 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000548905533 941128622 /nfs/dbraw/zinc/12/86/22/941128622.db2.gz WYQIZCDZCKHCDL-NRFANRHFSA-N 0 0 404.489 4.424 20 30 HIEDRN CC[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1OC(F)F ZINC000548905733 941128636 /nfs/dbraw/zinc/12/86/36/941128636.db2.gz JXHHZEJKUIVEPW-KRWDZBQOSA-N 0 0 414.456 4.401 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548935744 941131020 /nfs/dbraw/zinc/13/10/20/941131020.db2.gz VPKYWMJWGGPABH-APWZRJJASA-N 0 0 423.479 4.385 20 30 HIEDRN COc1ccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C2CC2)c(OC)c1 ZINC000548940234 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N#CC1(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2Cl)CCCCC1 ZINC000557452896 943135660 /nfs/dbraw/zinc/13/56/60/943135660.db2.gz TXPZDTOFKOXGKH-UHFFFAOYSA-N 0 0 410.905 4.347 20 30 HIEDRN COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000557468315 943147214 /nfs/dbraw/zinc/14/72/14/943147214.db2.gz VTUDXSFMSVXDMF-HTAPYJJXSA-N 0 0 408.546 4.355 20 30 HIEDRN C=CCn1c(=O)c2c3c(sc2nc1Sc1nc(C(F)(F)F)ns1)CCC3 ZINC000557476847 943153311 /nfs/dbraw/zinc/15/33/11/943153311.db2.gz FRKIHNBLRPLWRH-UHFFFAOYSA-N 0 0 416.475 4.154 20 30 HIEDRN C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000557531412 943193511 /nfs/dbraw/zinc/19/35/11/943193511.db2.gz RXDICLHIIVWNRH-FQEVSTJZSA-N 0 0 417.513 4.315 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(NCC(=O)Nc3ccc(C)cc3Cl)c2c1 ZINC000557540908 943200260 /nfs/dbraw/zinc/20/02/60/943200260.db2.gz BTULKBJHSCNFER-UHFFFAOYSA-N 0 0 410.861 4.136 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000557588689 943221452 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ZINC000558041534 943365104 /nfs/dbraw/zinc/36/51/04/943365104.db2.gz KFMQRJBUIOIVCA-DYJCROTPSA-N 0 0 421.338 4.419 20 30 HIEDRN N#Cc1cc(Br)ccc1CN1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000558104338 943380313 /nfs/dbraw/zinc/38/03/13/943380313.db2.gz POBDNYIRHPBJRB-GOSISDBHSA-N 0 0 423.257 4.496 20 30 HIEDRN N#Cc1ccncc1C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000558113829 943383709 /nfs/dbraw/zinc/38/37/09/943383709.db2.gz MEBXQDAZGQLMGW-UHFFFAOYSA-N 0 0 402.498 4.455 20 30 HIEDRN C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000558154550 943398214 /nfs/dbraw/zinc/39/82/14/943398214.db2.gz BZGRVSBRNYGTCD-POCHDABASA-N 0 0 418.541 4.279 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1Cl ZINC000558226389 943445776 /nfs/dbraw/zinc/44/57/76/943445776.db2.gz CZEGCQNHUQQJJB-HXUWFJFHSA-N 0 0 424.932 4.347 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@@H](C)Oc3ccccc32)c1C#N ZINC000558245241 943456890 /nfs/dbraw/zinc/45/68/90/943456890.db2.gz 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ZINC000558338920 943515166 /nfs/dbraw/zinc/51/51/66/943515166.db2.gz IDLTVOSORWWJKN-CXAGYDPISA-N 0 0 401.454 4.250 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)c(F)c1 ZINC000558344924 943519069 /nfs/dbraw/zinc/51/90/69/943519069.db2.gz KIWCUQWVOPCEJF-QHCPKHFHSA-N 0 0 403.457 4.413 20 30 HIEDRN CC(C)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(N)=O ZINC000558381975 943537034 /nfs/dbraw/zinc/53/70/34/943537034.db2.gz ZQWMVTIWGKNMQE-QGZVFWFLSA-N 0 0 420.391 4.001 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000558410237 943551426 /nfs/dbraw/zinc/55/14/26/943551426.db2.gz ABBBLMDSEQNPPM-UHFFFAOYSA-N 0 0 423.826 4.026 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)CSc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000558427153 943556989 /nfs/dbraw/zinc/55/69/89/943556989.db2.gz QNWKJMKIZQLRLM-UHFFFAOYSA-N 0 0 402.479 4.016 20 30 HIEDRN C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000558456151 943564623 /nfs/dbraw/zinc/56/46/23/943564623.db2.gz 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COc1ccc(C2(NC(=O)C(=O)Nc3ccccc3SCCC#N)CCCC2)cc1 ZINC000558527270 943589261 /nfs/dbraw/zinc/58/92/61/943589261.db2.gz HBSAPNJDDHUFJO-UHFFFAOYSA-N 0 0 423.538 4.225 20 30 HIEDRN COc1ccccc1S(=O)(=O)CCCNc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000558592600 943611888 /nfs/dbraw/zinc/61/18/88/943611888.db2.gz KVRHRFYNDXFSGE-UHFFFAOYSA-N 0 0 423.494 4.030 20 30 HIEDRN Cc1ccc(Cc2nc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cs2)cc1 ZINC000558594247 943612891 /nfs/dbraw/zinc/61/28/91/943612891.db2.gz MJJHWNRJAFYKMI-UHFFFAOYSA-N 0 0 402.523 4.135 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000558622455 943619860 /nfs/dbraw/zinc/61/98/60/943619860.db2.gz AXOXXUQXRZHCLD-UHFFFAOYSA-N 0 0 405.502 4.218 20 30 HIEDRN N#CC1(c2ccccn2)CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000558628233 943621174 /nfs/dbraw/zinc/62/11/74/943621174.db2.gz WMQMFYTVKSBFLA-GOSISDBHSA-N 0 0 415.324 4.051 20 30 HIEDRN C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000558675402 943626763 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CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCc2ccccc2OC)CC1 ZINC000558841516 943691192 /nfs/dbraw/zinc/69/11/92/943691192.db2.gz CWXGXLORARMMFA-UHFFFAOYSA-N 0 0 417.513 4.031 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000558855615 943702328 /nfs/dbraw/zinc/70/23/28/943702328.db2.gz QSMOKOHVZNJRDL-INIZCTEOSA-N 0 0 407.440 4.163 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000558869652 943710708 /nfs/dbraw/zinc/71/07/08/943710708.db2.gz WILVEDNLSKXJFR-UHFFFAOYSA-N 0 0 413.428 4.083 20 30 HIEDRN CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000558869465 943711052 /nfs/dbraw/zinc/71/10/52/943711052.db2.gz OKZSLXOIQRTULW-UHFFFAOYSA-N 0 0 405.477 4.332 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)n2Cc2ccccc2)cc1 ZINC000558924275 943749004 /nfs/dbraw/zinc/74/90/04/943749004.db2.gz CXPITGOSVWBONN-UHFFFAOYSA-N 0 0 420.520 4.192 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CCCC4(CC4)C3)n2CCc2ccccc2)cc1 ZINC000558940232 943760835 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C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ncc(CC)s1 ZINC000558983878 943785763 /nfs/dbraw/zinc/78/57/63/943785763.db2.gz DGKSCGOYJSPTSN-UHFFFAOYSA-N 0 0 413.547 4.194 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOC(C)(C)C1 ZINC000558982742 943785811 /nfs/dbraw/zinc/78/58/11/943785811.db2.gz ZAWTZROWNIMHLN-KRWDZBQOSA-N 0 0 400.523 4.008 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000558989409 943791032 /nfs/dbraw/zinc/79/10/32/943791032.db2.gz STYSRFVWORAAPT-DNVCBOLYSA-N 0 0 402.926 4.263 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000558992124 943792305 /nfs/dbraw/zinc/79/23/05/943792305.db2.gz SASQEZUAAOFSPN-UHFFFAOYSA-N 0 0 409.578 4.150 20 30 HIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000558993171 943792453 /nfs/dbraw/zinc/79/24/53/943792453.db2.gz JCUSNXOAQICLPS-UHFFFAOYSA-N 0 0 416.614 4.044 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC000558993506 943793065 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20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000558999817 943796734 /nfs/dbraw/zinc/79/67/34/943796734.db2.gz REAVUWCTXHDAGK-INIZCTEOSA-N 0 0 401.580 4.022 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(Cc2cccc(F)c2)CC1 ZINC000559002155 943797355 /nfs/dbraw/zinc/79/73/55/943797355.db2.gz BDPGAQBTIAEFIV-UHFFFAOYSA-N 0 0 405.521 4.438 20 30 HIEDRN C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000559001674 943797685 /nfs/dbraw/zinc/79/76/85/943797685.db2.gz SPTHKFMABYIRKZ-UHFFFAOYSA-N 0 0 423.590 4.152 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@]2(CCCOC2)C1 ZINC000559003082 943798828 /nfs/dbraw/zinc/79/88/28/943798828.db2.gz YZHJPUYDSNQBRW-DEOSSOPVSA-N 0 0 410.562 4.447 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC000559002679 943798869 /nfs/dbraw/zinc/79/88/69/943798869.db2.gz LZLQUPLXRJMIRL-LJQANCHMSA-N 0 0 422.602 4.093 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000559003632 943798900 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HIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC000559012013 943804388 /nfs/dbraw/zinc/80/43/88/943804388.db2.gz HYCQGBPZULWQBF-JOCHJYFZSA-N 0 0 410.562 4.445 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000559024081 943808311 /nfs/dbraw/zinc/80/83/11/943808311.db2.gz AKQFPBLRCXBLCY-NRFANRHFSA-N 0 0 407.514 4.316 20 30 HIEDRN CCOCCCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)C[C@@H](C)C#N ZINC000559040665 943812448 /nfs/dbraw/zinc/81/24/48/943812448.db2.gz BDXWZVDYOWQENW-INIZCTEOSA-N 0 0 424.574 4.400 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC000559058111 943818498 /nfs/dbraw/zinc/81/84/98/943818498.db2.gz GNRGNXQZTDALIZ-QFIPXVFZSA-N 0 0 415.541 4.312 20 30 HIEDRN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000559093400 943835974 /nfs/dbraw/zinc/83/59/74/943835974.db2.gz IFNONJZUKAILRY-JOCHJYFZSA-N 0 0 423.561 4.027 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC[C@H](Cc4ccccc4)C3)n2C[C@@H]2CCCO2)cc1 ZINC000559108597 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HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000303444276 854942893 /nfs/dbraw/zinc/94/28/93/854942893.db2.gz BHBZRFRTCHWLOG-DVOMOZLQSA-N 0 0 409.324 4.039 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](c4nncn4C4CC4)C3)c2)cc1 ZINC000303445563 854944639 /nfs/dbraw/zinc/94/46/39/854944639.db2.gz CVUAELMYPITKAF-LJQANCHMSA-N 0 0 413.481 4.297 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000303447675 854946160 /nfs/dbraw/zinc/94/61/60/854946160.db2.gz DHHFLRTUBKKZDD-CABCVRRESA-N 0 0 418.299 4.456 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000303448060 854946544 /nfs/dbraw/zinc/94/65/44/854946544.db2.gz JMNUIEJUUMXIOI-OAHLLOKOSA-N 0 0 404.304 4.440 20 30 HIEDRN Cc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccccc1Cl ZINC000303479015 854973747 /nfs/dbraw/zinc/97/37/47/854973747.db2.gz SNMZALNUZOQHRA-UHFFFAOYSA-N 0 0 420.900 4.389 20 30 HIEDRN Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303486156 854977067 /nfs/dbraw/zinc/97/70/67/854977067.db2.gz PGACYGXQXQSOPT-UHFFFAOYSA-N 0 0 419.441 4.148 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000303502591 854990653 /nfs/dbraw/zinc/99/06/53/854990653.db2.gz MRFCUFJIYJPWJP-UHFFFAOYSA-N 0 0 400.866 4.072 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000303504122 854993242 /nfs/dbraw/zinc/99/32/42/854993242.db2.gz BBCMLJKQHAALJT-QGZVFWFLSA-N 0 0 407.543 4.368 20 30 HIEDRN COc1cccc(CNC(=O)CSCc2ccc(C#N)cc2)c1OC1CCCC1 ZINC000303519657 855007734 /nfs/dbraw/zinc/00/77/34/855007734.db2.gz DYCVXNHPZNNUTN-UHFFFAOYSA-N 0 0 410.539 4.438 20 30 HIEDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1)CCC2 ZINC000303531865 855018408 /nfs/dbraw/zinc/01/84/08/855018408.db2.gz RVLWBQGNVUMZPT-IBGZPJMESA-N 0 0 410.543 4.014 20 30 HIEDRN C=CCOc1ccc(CN[C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1Cl ZINC000437351883 862631739 /nfs/dbraw/zinc/63/17/39/862631739.db2.gz KCFARIKJJKPZLO-KKSFZXQISA-N 0 0 407.963 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HIEDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303654952 855109480 /nfs/dbraw/zinc/10/94/80/855109480.db2.gz FXUVJCWCOQAFCR-VIFPVBQESA-N 0 0 420.300 4.258 20 30 HIEDRN Cc1nc(C2(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)CCCC2)no1 ZINC000303656335 855110507 /nfs/dbraw/zinc/11/05/07/855110507.db2.gz VLNSCJYFRLFMCW-UHFFFAOYSA-N 0 0 402.454 4.028 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCCc2c[nH]c3ccc(F)cc23)c1 ZINC000303667365 855118474 /nfs/dbraw/zinc/11/84/74/855118474.db2.gz OGBYCKMRBGSQIL-UHFFFAOYSA-N 0 0 403.413 4.323 20 30 HIEDRN Cn1cnnc1C1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000303669638 855121557 /nfs/dbraw/zinc/12/15/57/855121557.db2.gz OUQQPVBQYMDKDG-UHFFFAOYSA-N 0 0 421.888 4.152 20 30 HIEDRN Cc1nc(-c2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)cc2)n[nH]1 ZINC000303670475 855122374 /nfs/dbraw/zinc/12/23/74/855122374.db2.gz YNUKEDCTPODXOV-UHFFFAOYSA-N 0 0 409.449 4.483 20 30 HIEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000303728526 855155955 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Cc1nc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)sc1Cc1cccc(F)c1 ZINC000409475902 855500588 /nfs/dbraw/zinc/50/05/88/855500588.db2.gz PYQUWVLXDNSGMS-UHFFFAOYSA-N 0 0 417.469 4.491 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cn2ccsc2n1 ZINC000409477399 855501449 /nfs/dbraw/zinc/50/14/49/855501449.db2.gz WVDSVTQECMSPTL-UHFFFAOYSA-N 0 0 423.311 4.195 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409507915 855514104 /nfs/dbraw/zinc/51/41/04/855514104.db2.gz PQBUNFMUKUCKEQ-UHFFFAOYSA-N 0 0 424.508 4.127 20 30 HIEDRN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409506406 855514244 /nfs/dbraw/zinc/51/42/44/855514244.db2.gz GQNZOYDCTICZJV-ZDUSSCGKSA-N 0 0 417.391 4.038 20 30 HIEDRN N#Cc1ccc(CSCC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1 ZINC000409514587 855517984 /nfs/dbraw/zinc/51/79/84/855517984.db2.gz QZCYLDHNAZDSDQ-UHFFFAOYSA-N 0 0 420.494 4.270 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1COc2ccccc2C1 ZINC000409519403 855520293 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N#Cc1cccc(COc2ccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)cc2)c1 ZINC000409645717 855580582 /nfs/dbraw/zinc/58/05/82/855580582.db2.gz PBKNLPZSEVPTHD-OAQYLSRUSA-N 0 0 417.509 4.328 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ncccc3OCC3CCCCC3)n2)c1 ZINC000409661071 855589725 /nfs/dbraw/zinc/58/97/25/855589725.db2.gz BQQFEHQNTWKROU-UHFFFAOYSA-N 0 0 401.470 4.350 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000409668189 855593390 /nfs/dbraw/zinc/59/33/90/855593390.db2.gz IOHSHJUIDJYECW-HXUWFJFHSA-N 0 0 410.521 4.265 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409719052 855619295 /nfs/dbraw/zinc/61/92/95/855619295.db2.gz XRPLWHTZSAFQTC-UHFFFAOYSA-N 0 0 412.331 4.432 20 30 HIEDRN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409723157 855620421 /nfs/dbraw/zinc/62/04/21/855620421.db2.gz LBGSAGYOSISJOK-FQEVSTJZSA-N 0 0 421.566 4.437 20 30 HIEDRN Cc1nccn1CCCN(C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000437385577 862702027 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HIEDRN C[C@@H]1C(=O)Nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc2N1C ZINC000426125321 856123945 /nfs/dbraw/zinc/12/39/45/856123945.db2.gz DOYUEJJIZZGZGH-OAHLLOKOSA-N 0 0 412.449 4.380 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c(Cl)c1 ZINC000426137112 856131915 /nfs/dbraw/zinc/13/19/15/856131915.db2.gz FIOROANQRCJMSF-UHFFFAOYSA-N 0 0 419.312 4.094 20 30 HIEDRN N#Cc1ccc(NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000426137445 856132146 /nfs/dbraw/zinc/13/21/46/856132146.db2.gz OHTFIJILZBGFEI-UHFFFAOYSA-N 0 0 419.190 4.479 20 30 HIEDRN CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000426142720 856135902 /nfs/dbraw/zinc/13/59/02/856135902.db2.gz WHYABOGBQHMBRW-PZJWPPBQSA-N 0 0 412.921 4.013 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c(Cl)c1 ZINC000426157081 856145085 /nfs/dbraw/zinc/14/50/85/856145085.db2.gz PMTWIFSOMNAHNC-LJQANCHMSA-N 0 0 419.312 4.060 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c(Cl)c1 ZINC000426168496 856150876 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HIEDRN C=CCN(C(=O)[C@@H](C)c1ccc(Cl)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426288208 856223200 /nfs/dbraw/zinc/22/32/00/856223200.db2.gz AYSNCZMRKDEQLW-UONOGXRCSA-N 0 0 401.923 4.257 20 30 HIEDRN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000426354809 856257185 /nfs/dbraw/zinc/25/71/85/856257185.db2.gz VZRZOSDTMCXJDC-UHFFFAOYSA-N 0 0 408.273 4.389 20 30 HIEDRN COc1ccc(CC[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1O ZINC000426365378 856259979 /nfs/dbraw/zinc/25/99/79/856259979.db2.gz LUZULXHTBIGWQH-KRWDZBQOSA-N 0 0 407.514 4.417 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)c1 ZINC000426367958 856261544 /nfs/dbraw/zinc/26/15/44/856261544.db2.gz ZMDQYCOBRGKKRR-UHFFFAOYSA-N 0 0 411.461 4.038 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 ZINC000437412096 862775443 /nfs/dbraw/zinc/77/54/43/862775443.db2.gz WXNBXZARNPZTSB-CQSZACIVSA-N 0 0 419.403 4.444 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437413745 862778470 /nfs/dbraw/zinc/77/84/70/862778470.db2.gz RWAJQQQZNXJNSR-JCNLHEQBSA-N 0 0 417.431 4.290 20 30 HIEDRN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CNc1cccc(C#N)c1 ZINC000426461198 856302731 /nfs/dbraw/zinc/30/27/31/856302731.db2.gz PLXXFBLXTMCKOE-CWTRNNRKSA-N 0 0 416.344 4.332 20 30 HIEDRN N#Cc1ccc(-c2nc(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)no2)o1 ZINC000426463026 856303857 /nfs/dbraw/zinc/30/38/57/856303857.db2.gz SBFYJLAFNRRUEH-UHFFFAOYSA-N 0 0 401.407 4.169 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1cccc2[nH]ccc21 ZINC000426491801 856318746 /nfs/dbraw/zinc/31/87/46/856318746.db2.gz KGAWXTIJTGDZNH-HNNXBMFYSA-N 0 0 406.511 4.017 20 30 HIEDRN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cs1 ZINC000426504499 856322815 /nfs/dbraw/zinc/32/28/15/856322815.db2.gz NMWSWUNGZBJQSZ-AWEZNQCLSA-N 0 0 420.494 4.185 20 30 HIEDRN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426508316 856324842 /nfs/dbraw/zinc/32/48/42/856324842.db2.gz HWJYCOUCUKSFHX-OAQYLSRUSA-N 0 0 414.465 4.294 20 30 HIEDRN CS[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426511389 856327719 /nfs/dbraw/zinc/32/77/19/856327719.db2.gz RNNAUFGXBSROCZ-LPHOPBHVSA-N 0 0 409.511 4.079 20 30 HIEDRN C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000426521879 856332634 /nfs/dbraw/zinc/33/26/34/856332634.db2.gz INTCEXOFZINNLK-LFIBNONCSA-N 0 0 416.506 4.182 20 30 HIEDRN C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000426546195 856342712 /nfs/dbraw/zinc/34/27/12/856342712.db2.gz VCTHZJGTGSQGRP-GXDHUFHOSA-N 0 0 401.388 4.077 20 30 HIEDRN C[C@@H](CCCC(F)(F)F)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000426562123 856349749 /nfs/dbraw/zinc/34/97/49/856349749.db2.gz ZLZFNMULENCVJT-INIZCTEOSA-N 0 0 402.416 4.262 20 30 HIEDRN C=CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 ZINC000426593614 856364187 /nfs/dbraw/zinc/36/41/87/856364187.db2.gz PEMYJEFXMAXZRF-OAQYLSRUSA-N 0 0 410.495 4.057 20 30 HIEDRN N#Cc1cccc(NCC(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)c1 ZINC000426625837 856379565 /nfs/dbraw/zinc/37/95/65/856379565.db2.gz OMFXPSJXAKVSDL-UHFFFAOYSA-N 0 0 406.389 4.160 20 30 HIEDRN COc1cccc(OC)c1OC1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437420683 862791706 /nfs/dbraw/zinc/79/17/06/862791706.db2.gz SSQRLBYIDGYEII-UHFFFAOYSA-N 0 0 418.440 4.220 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000426671569 856406113 /nfs/dbraw/zinc/40/61/13/856406113.db2.gz MSNBRPQVQYRFEV-FYYLOGMGSA-N 0 0 417.509 4.029 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NC2(c3ccccc3)CCC2)ccc1Oc1ccccc1 ZINC000426685566 856412008 /nfs/dbraw/zinc/41/20/08/856412008.db2.gz IPSMJGUSIKOZRV-UHFFFAOYSA-N 0 0 411.461 4.485 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccco1)c1ccccc1OC ZINC000426789779 856478968 /nfs/dbraw/zinc/47/89/68/856478968.db2.gz XVAXMGYTWNYQGB-QHCPKHFHSA-N 0 0 419.481 4.107 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000426808760 856490270 /nfs/dbraw/zinc/49/02/70/856490270.db2.gz SIJDAVIUOJUUDW-UHFFFAOYSA-N 0 0 407.449 4.115 20 30 HIEDRN N#CCCCOc1cccc(C[NH2+][C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426809436 856491183 /nfs/dbraw/zinc/49/11/83/856491183.db2.gz VGJDXTUKFXZVPM-IBGZPJMESA-N 0 0 417.303 4.437 20 30 HIEDRN C=CC[C@H](C(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1)c1ccccc1 ZINC000426825850 856501105 /nfs/dbraw/zinc/50/11/05/856501105.db2.gz BYSDGEZEUPJBAW-MJGOQNOKSA-N 0 0 422.554 4.363 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000426836901 856506276 /nfs/dbraw/zinc/50/62/76/856506276.db2.gz MYNGOGGAHQCSQL-MRXNPFEDSA-N 0 0 402.317 4.309 20 30 HIEDRN C=CCCCCCN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426864973 856518440 /nfs/dbraw/zinc/51/84/40/856518440.db2.gz SEMVJDULASQCON-SFHVURJKSA-N 0 0 407.352 4.145 20 30 HIEDRN COc1cc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)ccc1C(F)(F)F ZINC000426929529 856547904 /nfs/dbraw/zinc/54/79/04/856547904.db2.gz RPMJRGFMKCJNGC-UHFFFAOYSA-N 0 0 400.360 4.332 20 30 HIEDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000426997297 856586693 /nfs/dbraw/zinc/58/66/93/856586693.db2.gz AGCDMKAJIMEHIJ-INIZCTEOSA-N 0 0 412.946 4.182 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2F)c1C#N ZINC000437446184 862813429 /nfs/dbraw/zinc/81/34/29/862813429.db2.gz AZVFWCYWXVPDQI-UHFFFAOYSA-N 0 0 401.441 4.173 20 30 HIEDRN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cn1 ZINC000427021795 856599349 /nfs/dbraw/zinc/59/93/49/856599349.db2.gz GZIYKAKFEOCKRX-HNNXBMFYSA-N 0 0 415.453 4.095 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000427031732 856604352 /nfs/dbraw/zinc/60/43/52/856604352.db2.gz USTJXSZFPVFUJD-UHFFFAOYSA-N 0 0 415.493 4.378 20 30 HIEDRN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC000427043316 856609062 /nfs/dbraw/zinc/60/90/62/856609062.db2.gz HCZPYGQHJMEHKY-HNNXBMFYSA-N 0 0 415.453 4.095 20 30 HIEDRN C[C@H](C1CC1)n1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cn1 ZINC000427047352 856610232 /nfs/dbraw/zinc/61/02/32/856610232.db2.gz URDQCGUUARVVNY-OAHLLOKOSA-N 0 0 415.453 4.095 20 30 HIEDRN Cc1ccc2ncc(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)c(=O)n2c1 ZINC000437459681 862822203 /nfs/dbraw/zinc/82/22/03/862822203.db2.gz OIQSNTGDRLTLSO-UHFFFAOYSA-N 0 0 414.396 4.058 20 30 HIEDRN C=C[C@@H](C)NC(=O)CC(CC(=O)N[C@H](C)C=C)c1ccc(Br)c(C)c1 ZINC000427163794 856682144 /nfs/dbraw/zinc/68/21/44/856682144.db2.gz JHWNBDNXFYJPIW-HUUCEWRRSA-N 0 0 407.352 4.003 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000437463141 862827187 /nfs/dbraw/zinc/82/71/87/862827187.db2.gz YOYXCVCDNJKILY-UAPYVXQJSA-N 0 0 416.930 4.093 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000437465330 862828131 /nfs/dbraw/zinc/82/81/31/862828131.db2.gz DHNMRTSWTOEDLD-HQRMLTQVSA-N 0 0 414.575 4.106 20 30 HIEDRN C=CC[C@@H](C(=O)N1CCN(Cc2csc([C@@H](C)OCC)n2)CC1)c1ccccc1 ZINC000427229395 856724510 /nfs/dbraw/zinc/72/45/10/856724510.db2.gz IDIITQTUXWYBRK-WIYYLYMNSA-N 0 0 413.587 4.245 20 30 HIEDRN C=CCN(C(=O)c1cc(Br)c(C)[nH]c1=O)c1nc2c(s1)CCCC2 ZINC000427245970 856734089 /nfs/dbraw/zinc/73/40/89/856734089.db2.gz LHDKYVQSYQLGFV-UHFFFAOYSA-N 0 0 408.321 4.026 20 30 HIEDRN C=CCN(C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1nc2c(s1)CCCC2 ZINC000427246050 856734609 /nfs/dbraw/zinc/73/46/09/856734609.db2.gz MGNFVHVREQHLES-INIZCTEOSA-N 0 0 410.461 4.163 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000437467546 862830146 /nfs/dbraw/zinc/83/01/46/862830146.db2.gz NCTIPXSBCLRYKS-HTAPYJJXSA-N 0 0 407.539 4.338 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C)c(OC(C)C)c1)c1ccc(F)c(F)c1 ZINC000427279501 856748907 /nfs/dbraw/zinc/74/89/07/856748907.db2.gz DPBJZTASWQBYNA-FQEVSTJZSA-N 0 0 402.441 4.433 20 30 HIEDRN CC(C)Oc1ccc(-c2ccc(NS(=O)(=O)c3cncc(C#N)c3)c(F)c2)cc1 ZINC000427295127 856757522 /nfs/dbraw/zinc/75/75/22/856757522.db2.gz IFFAAVHFPOIBMM-UHFFFAOYSA-N 0 0 411.458 4.347 20 30 HIEDRN Cc1cscc1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000427361360 856793493 /nfs/dbraw/zinc/79/34/93/856793493.db2.gz FBKSQLZLYDURKZ-UHFFFAOYSA-N 0 0 409.442 4.115 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H]4CCC[C@H]43)cc2Cl)cc1 ZINC000427393886 856804768 /nfs/dbraw/zinc/80/47/68/856804768.db2.gz DEHKPXJCLAZVMT-DNVCBOLYSA-N 0 0 409.873 4.343 20 30 HIEDRN Cc1ccc([C@H](NCc2cccc(F)c2C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000427415023 856811012 /nfs/dbraw/zinc/81/10/12/856811012.db2.gz QZMZDBAOERSUCE-QHCPKHFHSA-N 0 0 408.498 4.289 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000427437724 856820229 /nfs/dbraw/zinc/82/02/29/856820229.db2.gz YLDZHXXDIWKUEM-UHFFFAOYSA-N 0 0 405.498 4.154 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000427485755 856838503 /nfs/dbraw/zinc/83/85/03/856838503.db2.gz CJZYUGVWPJZXER-IBGZPJMESA-N 0 0 415.946 4.145 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cc1C#N ZINC000427489090 856839468 /nfs/dbraw/zinc/83/94/68/856839468.db2.gz VBNHUTCJPDFHJR-LBPRGKRZSA-N 0 0 420.296 4.468 20 30 HIEDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)o1 ZINC000437484273 862842379 /nfs/dbraw/zinc/84/23/79/862842379.db2.gz OFLXDBHAGHVHLV-MGPUTAFESA-N 0 0 403.486 4.095 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000437487119 862844427 /nfs/dbraw/zinc/84/44/27/862844427.db2.gz YGKNYKQVSPDNNI-XOBRGWDASA-N 0 0 419.319 4.134 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC(C)C ZINC000427591294 856880513 /nfs/dbraw/zinc/88/05/13/856880513.db2.gz IUFRQCDJWKSHGD-SFTDATJTSA-N 0 0 405.498 4.019 20 30 HIEDRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000427620505 856890561 /nfs/dbraw/zinc/89/05/61/856890561.db2.gz HSJCSEBYWIGUGE-LBPRGKRZSA-N 0 0 413.934 4.831 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 ZINC000427699520 856913513 /nfs/dbraw/zinc/91/35/13/856913513.db2.gz XRNNKQTXZSTXDT-INIZCTEOSA-N 0 0 403.404 4.273 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000427717361 856921377 /nfs/dbraw/zinc/92/13/77/856921377.db2.gz BMIDYPQRPNVXLA-IBGZPJMESA-N 0 0 423.900 4.296 20 30 HIEDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000427722156 856922136 /nfs/dbraw/zinc/92/21/36/856922136.db2.gz KJQGIQTWGBBMJQ-VFNWGFHPSA-N 0 0 420.538 4.106 20 30 HIEDRN C=CCC[C@H](C(=O)NC[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000427741155 856933613 /nfs/dbraw/zinc/93/36/13/856933613.db2.gz MDRMALHVNRTTOL-ROUUACIJSA-N 0 0 418.331 4.055 20 30 HIEDRN C=CCC[C@H](C(=O)NC[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000427741152 856933632 /nfs/dbraw/zinc/93/36/32/856933632.db2.gz MDRMALHVNRTTOL-MSOLQXFVSA-N 0 0 418.331 4.055 20 30 HIEDRN COCCOc1ncccc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437497937 862853599 /nfs/dbraw/zinc/85/35/99/862853599.db2.gz NJROQZPDRBGOFY-UHFFFAOYSA-N 0 0 407.401 4.162 20 30 HIEDRN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427778602 856949999 /nfs/dbraw/zinc/94/99/99/856949999.db2.gz JBNZGLLXILATPN-FQEVSTJZSA-N 0 0 424.570 4.172 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000437516123 862862119 /nfs/dbraw/zinc/86/21/19/862862119.db2.gz NGNOABDLHDIDKY-AVRDEDQJSA-N 0 0 407.539 4.371 20 30 HIEDRN CC(C)n1ncc2cc(S(=O)(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc21 ZINC000427860093 856984490 /nfs/dbraw/zinc/98/44/90/856984490.db2.gz YBLRUZAMPYRAKZ-IRLDBZIGSA-N 0 0 408.527 4.078 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000437508596 862858935 /nfs/dbraw/zinc/85/89/35/862858935.db2.gz PXHLQQSOGVRYRO-UQBPGWFLSA-N 0 0 419.500 4.318 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC000437514059 862861538 /nfs/dbraw/zinc/86/15/38/862861538.db2.gz MZCMLZVGWPTKMO-FOIQADDNSA-N 0 0 415.511 4.070 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000428034505 857050405 /nfs/dbraw/zinc/05/04/05/857050405.db2.gz DFSKPODSDPGOKD-MRXNPFEDSA-N 0 0 411.365 4.078 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000428039112 857051574 /nfs/dbraw/zinc/05/15/74/857051574.db2.gz QCLUDFJONVAQPS-SFHVURJKSA-N 0 0 402.491 4.116 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000437524790 862866736 /nfs/dbraw/zinc/86/67/36/862866736.db2.gz LPCQTAMJHSQLOG-KSSFIOAISA-N 0 0 406.935 4.395 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000437525131 862867079 /nfs/dbraw/zinc/86/70/79/862867079.db2.gz OJUBXFCLJGJKSD-QVKFZJNVSA-N 0 0 422.356 4.436 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)nc21 ZINC000428089395 857068495 /nfs/dbraw/zinc/06/84/95/857068495.db2.gz GVIDRGRYWOBZQQ-UHFFFAOYSA-N 0 0 413.525 4.294 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)nnc1-c1ccc(Cl)cc1Cl ZINC000428118228 857078897 /nfs/dbraw/zinc/07/88/97/857078897.db2.gz WDGWWNRIVLUZFM-LAQFHYBYSA-N 0 0 423.369 4.445 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000428166102 857094258 /nfs/dbraw/zinc/09/42/58/857094258.db2.gz QLGWURRTWOWJTO-UHFFFAOYSA-N 0 0 417.534 4.424 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(N3CCC4(C[C@H]4C(=O)N4CCCCC4)CC3)nc21 ZINC000428172077 857096227 /nfs/dbraw/zinc/09/62/27/857096227.db2.gz WWORMCHPTJMDAQ-FQEVSTJZSA-N 0 0 406.574 4.186 20 30 HIEDRN CCn1nc(C)c(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1C ZINC000428185376 857103268 /nfs/dbraw/zinc/10/32/68/857103268.db2.gz OMAQRWJBEWHEFP-UHFFFAOYSA-N 0 0 402.498 4.346 20 30 HIEDRN N#Cc1c(NC(=O)c2ccccc2CN2CCOCC2)sc2c1CCCCCC2 ZINC000428245227 857124029 /nfs/dbraw/zinc/12/40/29/857124029.db2.gz MDIBRRQIEUISMD-UHFFFAOYSA-N 0 0 409.555 4.363 20 30 HIEDRN CC(C)C(=O)Nc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428277715 857138502 /nfs/dbraw/zinc/13/85/02/857138502.db2.gz SALJAMKRLZAOAH-UHFFFAOYSA-N 0 0 401.470 4.311 20 30 HIEDRN C=CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1nc(-c2ccccc2)cs1 ZINC000428337372 857160113 /nfs/dbraw/zinc/16/01/13/857160113.db2.gz MJHVTPPXIJEMOY-UHFFFAOYSA-N 0 0 401.491 4.495 20 30 HIEDRN COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3cccc(F)c3C#N)c2C)c1 ZINC000428350098 857165975 /nfs/dbraw/zinc/16/59/75/857165975.db2.gz CXCQGLSESOJQLN-HSZRJFAPSA-N 0 0 420.488 4.082 20 30 HIEDRN C=CCc1cc(CNC(=O)c2cccc(Br)c2F)cc(OC)c1OC ZINC000428355421 857169975 /nfs/dbraw/zinc/16/99/75/857169975.db2.gz FNPYCHBQBDPHCG-UHFFFAOYSA-N 0 0 408.267 4.264 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000437550535 862880713 /nfs/dbraw/zinc/88/07/13/862880713.db2.gz VGWMKTSNESWQHK-UHFFFAOYSA-N 0 0 407.470 4.244 20 30 HIEDRN N#Cc1ncccc1S(=O)(=O)N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000428393674 857188073 /nfs/dbraw/zinc/18/80/73/857188073.db2.gz ZAXUOZAWFOUZMZ-MRXNPFEDSA-N 0 0 415.824 4.055 20 30 HIEDRN COc1ccc(Br)c(CN(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000428469512 857212669 /nfs/dbraw/zinc/21/26/69/857212669.db2.gz VGRDVDPPFDVEQG-CYBMUJFWSA-N 0 0 402.292 4.232 20 30 HIEDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428506774 857231892 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HIEDRN Cc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1C(=O)NC(C)C ZINC000428715750 857307979 /nfs/dbraw/zinc/30/79/79/857307979.db2.gz GWKZPHFAEYIBTK-UHFFFAOYSA-N 0 0 415.497 4.163 20 30 HIEDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccccc1C#N ZINC000428783277 857336649 /nfs/dbraw/zinc/33/66/49/857336649.db2.gz MWTPTOJIYQEQBC-QRWLVFNGSA-N 0 0 417.431 4.368 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2ccc(Oc3cccnc3)nc2)c1-c1ccccc1 ZINC000428791059 857341577 /nfs/dbraw/zinc/34/15/77/857341577.db2.gz CYZBBULUTRVAGP-UHFFFAOYSA-N 0 0 410.437 4.298 20 30 HIEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000428794207 857343842 /nfs/dbraw/zinc/34/38/42/857343842.db2.gz REONYLIEBOCKMY-PZJWPPBQSA-N 0 0 420.513 4.091 20 30 HIEDRN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1sccc1C#N ZINC000428803498 857350874 /nfs/dbraw/zinc/35/08/74/857350874.db2.gz LKIYSFUFDKTNFX-LRDDRELGSA-N 0 0 409.433 4.039 20 30 HIEDRN CNC(=O)c1cc(Oc2ccccc2NC(=O)N(CCC#N)CCC(C)C)ccn1 ZINC000428853664 857372786 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N#Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c(Cl)c1 ZINC000430364195 858135064 /nfs/dbraw/zinc/13/50/64/858135064.db2.gz IQWJVMIZLCUQKL-NRFANRHFSA-N 0 0 417.852 4.406 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Br)c3)c2)c(Cl)c1 ZINC000430369090 858136639 /nfs/dbraw/zinc/13/66/39/858136639.db2.gz IBIYVCLBRRUYPE-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000430374434 858138234 /nfs/dbraw/zinc/13/82/34/858138234.db2.gz BJGFQZFIMKCZCB-NRSPTQNISA-N 0 0 418.965 4.127 20 30 HIEDRN CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](C)Cc1ccsc1 ZINC000430378333 858140338 /nfs/dbraw/zinc/14/03/38/858140338.db2.gz QJNILFOWCAFIPU-QFBILLFUSA-N 0 0 414.550 4.390 20 30 HIEDRN CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc2C1=O ZINC000430602872 858233237 /nfs/dbraw/zinc/23/32/37/858233237.db2.gz MJMQAXKHAFVWNV-MRXNPFEDSA-N 0 0 409.511 4.327 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)Nc2c(-c3ccncc3)nc3ccccn32)c1 ZINC000430638206 858243586 /nfs/dbraw/zinc/24/35/86/858243586.db2.gz MUVSJBMITGAUJM-UHFFFAOYSA-N 0 0 411.465 4.456 20 30 HIEDRN C=CCc1cc(C(=O)Nc2c(-c3ccncc3)nc3ccccn32)cc(OC)c1OC ZINC000430640386 858244376 /nfs/dbraw/zinc/24/43/76/858244376.db2.gz HKVOBLDQKHICGJ-UHFFFAOYSA-N 0 0 414.465 4.394 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000430684635 858268313 /nfs/dbraw/zinc/26/83/13/858268313.db2.gz DUTNBPGZPPKYBE-UHFFFAOYSA-N 0 0 421.394 4.304 20 30 HIEDRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1F ZINC000430708122 858275250 /nfs/dbraw/zinc/27/52/50/858275250.db2.gz ZQNKFORLCXUTBQ-UHFFFAOYSA-N 0 0 400.338 4.239 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000430729763 858279475 /nfs/dbraw/zinc/27/94/75/858279475.db2.gz HMJLOPBCRKNABK-HXUWFJFHSA-N 0 0 414.387 4.400 20 30 HIEDRN N#Cc1ccccc1CSCCN1C(=O)N[C@@H](Cc2cccc3ccccc32)C1=O ZINC000430764172 858295447 /nfs/dbraw/zinc/29/54/47/858295447.db2.gz GAJUZBFXRHXGMU-QFIPXVFZSA-N 0 0 415.518 4.108 20 30 HIEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430926006 858372437 /nfs/dbraw/zinc/37/24/37/858372437.db2.gz MWIJGQKZFCUZMV-URXFXBBRSA-N 0 0 405.542 4.045 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)CC2)nc1 ZINC000430929403 858373671 /nfs/dbraw/zinc/37/36/71/858373671.db2.gz WIUJDICYSVORCC-SOAISFHBSA-N 0 0 422.504 4.418 20 30 HIEDRN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N(CCC#N)CC(C)(C)C ZINC000430951927 858380312 /nfs/dbraw/zinc/38/03/12/858380312.db2.gz NPGLIVFMNCKVFO-UHFFFAOYSA-N 0 0 403.482 4.198 20 30 HIEDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430951174 858380588 /nfs/dbraw/zinc/38/05/88/858380588.db2.gz UPUMMWVJXFPQBY-UHFFFAOYSA-N 0 0 410.289 4.483 20 30 HIEDRN C[C@@]1(c2ccc(F)cc2)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000430957015 858382033 /nfs/dbraw/zinc/38/20/33/858382033.db2.gz NFMFTONQLRDZPS-SLXFGWRHSA-N 0 0 422.504 4.156 20 30 HIEDRN Cc1ccccc1Cc1noc(CSCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000430985152 858392160 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C=CCNC(=O)c1ccc(NC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000431109037 858450432 /nfs/dbraw/zinc/45/04/32/858450432.db2.gz QGCMPKIRXUOIFM-UHFFFAOYSA-N 0 0 401.869 4.405 20 30 HIEDRN N#CCC1(CNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 ZINC000431181513 858491181 /nfs/dbraw/zinc/49/11/81/858491181.db2.gz RYIUCKXHCSOBPH-UHFFFAOYSA-N 0 0 412.287 4.125 20 30 HIEDRN CC(C)(NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000431194667 858497036 /nfs/dbraw/zinc/49/70/36/858497036.db2.gz UGSSWYMKSQHCGE-UHFFFAOYSA-N 0 0 400.438 4.446 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)NCC2(CC#N)CC2)cc1OC ZINC000431192836 858497544 /nfs/dbraw/zinc/49/75/44/858497544.db2.gz IEYDLOIATVJIPG-UHFFFAOYSA-N 0 0 413.543 4.213 20 30 HIEDRN N#Cc1cccc(OCCNc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000431211126 858505951 /nfs/dbraw/zinc/50/59/51/858505951.db2.gz PZMNOWNKWTUWRX-UHFFFAOYSA-N 0 0 411.259 4.394 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCc1cc2c(cc1OC(F)F)OCO2)c1ccccc1 ZINC000431282000 858545399 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C=C(C)CN(CC)C(=O)[C@H](C)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000431355561 858577460 /nfs/dbraw/zinc/57/74/60/858577460.db2.gz ZIMMEAONXWJUAO-AWEZNQCLSA-N 0 0 419.323 4.256 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(Sc2ccc(C)cc2)CCCC1 ZINC000431392139 858591393 /nfs/dbraw/zinc/59/13/93/858591393.db2.gz MQLIYHSDHBNYCE-UHFFFAOYSA-N 0 0 423.538 4.035 20 30 HIEDRN C[C@@](O)(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CCOCC1 ZINC000431400440 858595803 /nfs/dbraw/zinc/59/58/03/858595803.db2.gz KVVXPBFSHQSZFF-NRFANRHFSA-N 0 0 400.862 4.120 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccc(F)c(F)c1 ZINC000431463985 858629312 /nfs/dbraw/zinc/62/93/12/858629312.db2.gz HXJBKOFQJFUIKB-ZUZCIYMTSA-N 0 0 411.250 4.195 20 30 HIEDRN N#CCc1ccc(NC(=O)[C@](N)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC000431510486 858649420 /nfs/dbraw/zinc/64/94/20/858649420.db2.gz SSMAGPZUWHMWNE-MRXNPFEDSA-N 0 0 401.310 4.126 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)c1 ZINC000431547932 858665340 /nfs/dbraw/zinc/66/53/40/858665340.db2.gz UUIVJFOEENCBBH-UHFFFAOYSA-N 0 0 419.329 4.769 20 30 HIEDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000431581787 858676437 /nfs/dbraw/zinc/67/64/37/858676437.db2.gz DJZRCQQCSZJEMC-UHFFFAOYSA-N 0 0 400.482 4.433 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccc(Br)cc2Br)c(Cl)c1 ZINC000431583141 858677300 /nfs/dbraw/zinc/67/73/00/858677300.db2.gz CIHXMROEOXHSBF-UHFFFAOYSA-N 0 0 415.472 4.384 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000431645261 858708906 /nfs/dbraw/zinc/70/89/06/858708906.db2.gz OJTVRZUSLKEUPD-UHFFFAOYSA-N 0 0 400.269 4.130 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431650594 858712929 /nfs/dbraw/zinc/71/29/29/858712929.db2.gz VLHPFTULBXKYJL-KRWDZBQOSA-N 0 0 403.486 4.215 20 30 HIEDRN N#CCCC[C@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1 ZINC000431700978 858749656 /nfs/dbraw/zinc/74/96/56/858749656.db2.gz ZAYXGIOGCICFED-FQEVSTJZSA-N 0 0 400.486 4.448 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cccc(C#N)c1C ZINC000431704835 858752200 /nfs/dbraw/zinc/75/22/00/858752200.db2.gz LHZYCFATYNOSKU-UHFFFAOYSA-N 0 0 415.291 4.040 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000431731181 858770748 /nfs/dbraw/zinc/77/07/48/858770748.db2.gz AEBAQDYFRQBQRX-UHFFFAOYSA-N 0 0 419.418 4.352 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2cccc(F)c2)c2ccccn2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431737165 858774779 /nfs/dbraw/zinc/77/47/79/858774779.db2.gz QTKVFTSGGFAZRJ-XZOQPEGZSA-N 0 0 415.468 4.372 20 30 HIEDRN C=CCN1C(=O)N([C@@H](c2cccc(F)c2)c2ccccn2)C(=O)[C@H]1Cc1ccccc1 ZINC000431737164 858774985 /nfs/dbraw/zinc/77/49/85/858774985.db2.gz QTKVFTSGGFAZRJ-PKTZIBPZSA-N 0 0 415.468 4.372 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000431752144 858788038 /nfs/dbraw/zinc/78/80/38/858788038.db2.gz GQYNBOXEQNSOCN-ZDUSSCGKSA-N 0 0 403.404 4.134 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000431768223 858803305 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N#CCSc1cccc(C(=O)Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000431856902 858841540 /nfs/dbraw/zinc/84/15/40/858841540.db2.gz KCWBLVOOJWKIPI-UHFFFAOYSA-N 0 0 403.389 4.358 20 30 HIEDRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)c1 ZINC000431863442 858843951 /nfs/dbraw/zinc/84/39/51/858843951.db2.gz RFUMNYQXRDSARS-UHFFFAOYSA-N 0 0 405.479 4.228 20 30 HIEDRN Cc1nc(CN2CCC(CNC(=O)N[C@H](CCCC#N)c3ccccc3)CC2)oc1C ZINC000431921084 858871224 /nfs/dbraw/zinc/87/12/24/858871224.db2.gz WCANNTJKXZPTQC-JOCHJYFZSA-N 0 0 423.561 4.238 20 30 HIEDRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000431929182 858874726 /nfs/dbraw/zinc/87/47/26/858874726.db2.gz YNBZXWAWRKNHPM-HSZRJFAPSA-N 0 0 423.513 4.455 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2cccc(N3CCCC3)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431933226 858877061 /nfs/dbraw/zinc/87/70/61/858877061.db2.gz CCYVAASWAOPKJG-XXBNENTESA-N 0 0 403.526 4.409 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCCO[C@H]2c2ccc(C)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431944741 858881035 /nfs/dbraw/zinc/88/10/35/858881035.db2.gz ZBANBZGDOGVABU-ZLNRFVROSA-N 0 0 404.510 4.277 20 30 HIEDRN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431949149 858882839 /nfs/dbraw/zinc/88/28/39/858882839.db2.gz HQHPYJQHVPWFET-HXUWFJFHSA-N 0 0 403.507 4.275 20 30 HIEDRN CCOc1ccc([C@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)c2ccccc2)cc1 ZINC000431964731 858891895 /nfs/dbraw/zinc/89/18/95/858891895.db2.gz NZGWAIYSNLYYSP-HSZRJFAPSA-N 0 0 413.477 4.110 20 30 HIEDRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431967706 858892623 /nfs/dbraw/zinc/89/26/23/858892623.db2.gz VLNYHFGKALWHFG-LJQANCHMSA-N 0 0 413.905 4.371 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N(CCCO)Cc3ccccn3)cc2)cc1 ZINC000431975224 858898010 /nfs/dbraw/zinc/89/80/10/858898010.db2.gz WOHPWPNWOFPCJS-UHFFFAOYSA-N 0 0 402.454 4.162 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2C)ccc1OCCC(C)C ZINC000431975675 858898148 /nfs/dbraw/zinc/89/81/48/858898148.db2.gz XWRRTHMENDLDML-QGZVFWFLSA-N 0 0 423.513 4.116 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCO)[C@@H]1CCCSC1 ZINC000431986915 858906033 /nfs/dbraw/zinc/90/60/33/858906033.db2.gz OHWYDHFJBCXMOB-GOSISDBHSA-N 0 0 411.527 4.381 20 30 HIEDRN Cc1sc(NC(=O)CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c(C#N)c1C ZINC000432019429 858932981 /nfs/dbraw/zinc/93/29/81/858932981.db2.gz LCOBIOVXNGDECH-UHFFFAOYSA-N 0 0 416.522 4.053 20 30 HIEDRN N#CCCC[C@@H](c1ccccc1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000432035412 858943071 /nfs/dbraw/zinc/94/30/71/858943071.db2.gz UVJFFAVEZLHOOF-ROUUACIJSA-N 0 0 412.287 4.477 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(=O)[nH]c3)c2)cc1 ZINC000432065684 858963310 /nfs/dbraw/zinc/96/33/10/858963310.db2.gz YLBYJYOPWYEFRE-IRLDBZIGSA-N 0 0 416.437 4.103 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000432075741 858971210 /nfs/dbraw/zinc/97/12/10/858971210.db2.gz GCRGUSNBFARTPW-CVEARBPZSA-N 0 0 408.527 4.133 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000432075772 858971778 /nfs/dbraw/zinc/97/17/78/858971778.db2.gz GGXCCTCVTZMNRX-BZLDKRAPSA-N 0 0 403.548 4.271 20 30 HIEDRN C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Br)cn1 ZINC000432086390 858978882 /nfs/dbraw/zinc/97/88/82/858978882.db2.gz YJESAZRALMUCMB-VIFPVBQESA-N 0 0 411.206 4.200 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000432099092 858987688 /nfs/dbraw/zinc/98/76/88/858987688.db2.gz PQCXLWBTGDHAAH-MXTNKPTQSA-N 0 0 403.548 4.129 20 30 HIEDRN CC1(C)C[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000432146662 859015273 /nfs/dbraw/zinc/01/52/73/859015273.db2.gz CFSMASPVOCIVAI-QFIPXVFZSA-N 0 0 416.525 4.341 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000432245755 859066155 /nfs/dbraw/zinc/06/61/55/859066155.db2.gz JUWRKLCRNKJVJI-FHAGJXEFSA-N 0 0 404.510 4.277 20 30 HIEDRN C=CCn1c(SCCNC(=O)c2cccnc2Oc2ccccc2)nnc1C1CC1 ZINC000432244376 859066233 /nfs/dbraw/zinc/06/62/33/859066233.db2.gz BGVFVOGRMYIPRV-UHFFFAOYSA-N 0 0 421.526 4.051 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(Br)cn2)cc1C#N ZINC000432262450 859074139 /nfs/dbraw/zinc/07/41/39/859074139.db2.gz AWWMOIWFLQCGMY-LBPRGKRZSA-N 0 0 403.280 4.386 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432265748 859075423 /nfs/dbraw/zinc/07/54/23/859075423.db2.gz BGOKLOVAELIXOV-AWEZNQCLSA-N 0 0 400.809 4.457 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432270454 859077204 /nfs/dbraw/zinc/07/72/04/859077204.db2.gz LFLXZRJFGXMMHE-CYBMUJFWSA-N 0 0 400.809 4.457 20 30 HIEDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3cccc(C#N)c3C)c2)cc1 ZINC000432269530 859077569 /nfs/dbraw/zinc/07/75/69/859077569.db2.gz KGEHFHLUZAJRDQ-UHFFFAOYSA-N 0 0 412.493 4.427 20 30 HIEDRN CCC[C@H](NC(=O)Nc1cccc(C#N)c1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000432291625 859088663 /nfs/dbraw/zinc/08/86/63/859088663.db2.gz MCDVDPDYQAFNMD-QFIPXVFZSA-N 0 0 419.529 4.396 20 30 HIEDRN CC[C@@H](NC(=O)Nc1cccc(C#N)c1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000432298250 859091335 /nfs/dbraw/zinc/09/13/35/859091335.db2.gz MNPJZLFLMKBDOI-HXUWFJFHSA-N 0 0 420.513 4.141 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccc1C(F)(F)F ZINC000432306298 859095169 /nfs/dbraw/zinc/09/51/69/859095169.db2.gz HFAWAWSDCAMTCN-SFHVURJKSA-N 0 0 406.429 4.493 20 30 HIEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000432339278 859109254 /nfs/dbraw/zinc/10/92/54/859109254.db2.gz SGXNAQLYSKHXEG-HNNXBMFYSA-N 0 0 402.541 4.170 20 30 HIEDRN C[C@@H](C#N)NC(=O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 ZINC000432351695 859115873 /nfs/dbraw/zinc/11/58/73/859115873.db2.gz PQYSMSJCDANYTD-VIFPVBQESA-N 0 0 416.325 4.040 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432394986 859143616 /nfs/dbraw/zinc/14/36/16/859143616.db2.gz MNDULCKICHGFKF-KRWDZBQOSA-N 0 0 404.514 4.200 20 30 HIEDRN CCOc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000432413253 859152792 /nfs/dbraw/zinc/15/27/92/859152792.db2.gz LPKFYZDBMIWFFL-CQSZACIVSA-N 0 0 401.894 4.078 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000432455607 859171625 /nfs/dbraw/zinc/17/16/25/859171625.db2.gz QUVAOALDPPVEES-UHFFFAOYSA-N 0 0 407.489 4.287 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000432494772 859192868 /nfs/dbraw/zinc/19/28/68/859192868.db2.gz GEGGZJSYCBHCGF-KRWDZBQOSA-N 0 0 415.280 4.355 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000432556397 859225399 /nfs/dbraw/zinc/22/53/99/859225399.db2.gz JSQUEWVURBGSRX-GOSISDBHSA-N 0 0 409.534 4.153 20 30 HIEDRN CN(Cc1ccccc1Br)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432579172 859237431 /nfs/dbraw/zinc/23/74/31/859237431.db2.gz NLSCQRBHPDCAHA-UHFFFAOYSA-N 0 0 414.303 4.088 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432601167 859248532 /nfs/dbraw/zinc/24/85/32/859248532.db2.gz LRBBWDFUKDEBSO-KDOFPFPSSA-N 0 0 404.495 4.284 20 30 HIEDRN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cn2)cc1 ZINC000432653510 859275031 /nfs/dbraw/zinc/27/50/31/859275031.db2.gz BCFDMFRQWXHOMW-HXUWFJFHSA-N 0 0 415.453 4.134 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000432656634 859276113 /nfs/dbraw/zinc/27/61/13/859276113.db2.gz UKKHTJPOOQFDLI-UHFFFAOYSA-N 0 0 402.429 4.268 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](O)C34CCCC4)c2)cc1 ZINC000432682015 859291355 /nfs/dbraw/zinc/29/13/55/859291355.db2.gz QKINRMYFIZIFFK-JOCHJYFZSA-N 0 0 405.498 4.243 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)C2)nc1 ZINC000432698144 859302031 /nfs/dbraw/zinc/30/20/31/859302031.db2.gz UVOBURSNHRURGE-HSZRJFAPSA-N 0 0 408.461 4.038 20 30 HIEDRN CO[C@H]1CCOc2c(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cccc21 ZINC000432732660 859325421 /nfs/dbraw/zinc/32/54/21/859325421.db2.gz YMJOEHNZBYTQHH-NRFANRHFSA-N 0 0 407.470 4.104 20 30 HIEDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000432757077 859336823 /nfs/dbraw/zinc/33/68/23/859336823.db2.gz IJRCLODSKCXIFZ-NRFANRHFSA-N 0 0 401.466 4.418 20 30 HIEDRN CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432765737 859344738 /nfs/dbraw/zinc/34/47/38/859344738.db2.gz CWYNCTOOOCLYPI-UHFFFAOYSA-N 0 0 418.316 4.044 20 30 HIEDRN Cc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(OCC(=O)N(C)C)c1 ZINC000432769478 859350292 /nfs/dbraw/zinc/35/02/92/859350292.db2.gz OQDWDJDAUCIRKI-LJQANCHMSA-N 0 0 408.502 4.019 20 30 HIEDRN CN(C)c1ccc(S(=O)(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cc1 ZINC000432772765 859352763 /nfs/dbraw/zinc/35/27/63/859352763.db2.gz XSIVPDRKTMBBQY-UHFFFAOYSA-N 0 0 421.522 4.198 20 30 HIEDRN COC(=O)[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1C(C)C ZINC000432802080 859367747 /nfs/dbraw/zinc/36/77/47/859367747.db2.gz CNJJOAQTVDWXHT-SFTDATJTSA-N 0 0 407.470 4.402 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CCSCCC(=O)Nc1cccc(C#N)c1C ZINC000432833450 859378925 /nfs/dbraw/zinc/37/89/25/859378925.db2.gz CYBAKGLLEVZNBI-UHFFFAOYSA-N 0 0 406.511 4.137 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCOC[C@H](C4CCC4)C3)c2)c1 ZINC000432913567 859427011 /nfs/dbraw/zinc/42/70/11/859427011.db2.gz FQATUGWBBTWSGR-HXUWFJFHSA-N 0 0 418.497 4.091 20 30 HIEDRN N#Cc1ccc([N+](=O)[O-])c(N2CCC(Nc3cccc(Br)c3)CC2)c1 ZINC000432932658 859436682 /nfs/dbraw/zinc/43/66/82/859436682.db2.gz KELMSKMQUCESQF-UHFFFAOYSA-N 0 0 401.264 4.310 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)C2)nc1 ZINC000432950797 859443895 /nfs/dbraw/zinc/44/38/95/859443895.db2.gz QPYQSTAUIJDQNW-NRFANRHFSA-N 0 0 406.486 4.098 20 30 HIEDRN CCNC(=O)N1CCc2ccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)cc21 ZINC000432966132 859453273 /nfs/dbraw/zinc/45/32/73/859453273.db2.gz QTZNFHOCRXKZSE-HXUWFJFHSA-N 0 0 405.502 4.335 20 30 HIEDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000432997407 859470732 /nfs/dbraw/zinc/47/07/32/859470732.db2.gz XOEFUYCQRBKEJM-MWLCHTKSSA-N 0 0 422.272 4.226 20 30 HIEDRN Cc1c(COC(C)(C)C)cccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000433004652 859473700 /nfs/dbraw/zinc/47/37/00/859473700.db2.gz GPMXTHAMEQLVIP-IBGZPJMESA-N 0 0 408.502 4.262 20 30 HIEDRN Cc1c(F)ccc(Cl)c1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000433115072 859526927 /nfs/dbraw/zinc/52/69/27/859526927.db2.gz IYVBZCCIVXVZKX-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cc(Br)ccn1 ZINC000433138026 859536478 /nfs/dbraw/zinc/53/64/78/859536478.db2.gz VVSNYDNLBILCGN-LBPRGKRZSA-N 0 0 405.321 4.418 20 30 HIEDRN CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000433141388 859538238 /nfs/dbraw/zinc/53/82/38/859538238.db2.gz OQKKYBHFEQDMPR-FQEVSTJZSA-N 0 0 414.531 4.313 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000433153352 859542966 /nfs/dbraw/zinc/54/29/66/859542966.db2.gz PKOBSLMRZBJRAW-UHFFFAOYSA-N 0 0 413.481 4.249 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(N2CCOCC2)c1 ZINC000433161992 859548309 /nfs/dbraw/zinc/54/83/09/859548309.db2.gz SPHAYJDYYFKNJV-KRWDZBQOSA-N 0 0 410.543 4.239 20 30 HIEDRN O=C(Nc1cnn(CC(F)F)c1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000433212764 859569618 /nfs/dbraw/zinc/56/96/18/859569618.db2.gz MCEIXYUZTIMDOT-UHFFFAOYSA-N 0 0 400.254 4.412 20 30 HIEDRN C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000433237695 859584464 /nfs/dbraw/zinc/58/44/64/859584464.db2.gz ZGVJUJGRUMTYIV-SSDOTTSWSA-N 0 0 410.261 4.396 20 30 HIEDRN COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000433243619 859587619 /nfs/dbraw/zinc/58/76/19/859587619.db2.gz WQWRBSMIWWUCBC-LSDHHAIUSA-N 0 0 413.861 4.467 20 30 HIEDRN C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1)c1ccc(C#N)cc1 ZINC000433253710 859594581 /nfs/dbraw/zinc/59/45/81/859594581.db2.gz HEOWUYNVMNHMCN-INIZCTEOSA-N 0 0 418.522 4.002 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(Br)c(Cl)c3)C2)nc1 ZINC000433280469 859613335 /nfs/dbraw/zinc/61/33/35/859613335.db2.gz CCODWEHVLNTZFN-CYBMUJFWSA-N 0 0 421.682 4.054 20 30 HIEDRN C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)N(C)CC(C)(C)C#N ZINC000433306028 859629344 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HIEDRN COc1ccc(-c2nc(CN3CCC[C@@]4(CCCCO4)[C@H]3C#N)cs2)cc1OC ZINC000447914533 871811749 /nfs/dbraw/zinc/81/17/49/871811749.db2.gz LEECSKIPLRPXRZ-IRLDBZIGSA-N 0 0 413.543 4.255 20 30 HIEDRN N#C[C@H]1N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCC[C@]12CCCCO2 ZINC000447914081 871812017 /nfs/dbraw/zinc/81/20/17/871812017.db2.gz KEBPOXPHQQOGGO-SJLPKXTDSA-N 0 0 415.843 4.225 20 30 HIEDRN N#C[C@@H]1N(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CCC[C@@]12CCCCO2 ZINC000447919130 871813342 /nfs/dbraw/zinc/81/33/42/871813342.db2.gz UFFWXVAZUNQZHS-KKSFZXQISA-N 0 0 410.499 4.084 20 30 HIEDRN N#C[C@H]1N(CC(=O)Nc2ccccc2Oc2ccccc2)CCC[C@]12CCCCO2 ZINC000447920050 871814807 /nfs/dbraw/zinc/81/48/07/871814807.db2.gz WRVNZXNCBJMRPK-ISKFKSNPSA-N 0 0 405.498 4.345 20 30 HIEDRN CC(C)(C)c1ncc(CNc2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000447950926 871821270 /nfs/dbraw/zinc/82/12/70/871821270.db2.gz CVJDBSSQLZYVCZ-UHFFFAOYSA-N 0 0 401.586 5.068 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000448007842 871851526 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C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(CCCO)[C@@H]1CCc2ccccc21 ZINC000460556444 873276048 /nfs/dbraw/zinc/27/60/48/873276048.db2.gz VPAYJROZISTYQF-JOCHJYFZSA-N 0 0 403.530 4.101 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000460560953 873287718 /nfs/dbraw/zinc/28/77/18/873287718.db2.gz VRHQASIYVVXSTK-YJBOKZPZSA-N 0 0 419.451 4.472 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000460569072 873302316 /nfs/dbraw/zinc/30/23/16/873302316.db2.gz ALUPHFNEFGTHAH-DZFGPLHGSA-N 0 0 414.525 4.276 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000460572026 873305383 /nfs/dbraw/zinc/30/53/83/873305383.db2.gz JCENSOYZVUKSID-IAGOWNOFSA-N 0 0 400.498 4.139 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000460577795 873312820 /nfs/dbraw/zinc/31/28/20/873312820.db2.gz SWYWLPGTDDDNPK-IBGZPJMESA-N 0 0 423.952 4.070 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(CCOC)Cc1ccco1 ZINC000460580489 873315762 /nfs/dbraw/zinc/31/57/62/873315762.db2.gz WIVXBVYWEFMEEO-UHFFFAOYSA-N 0 0 405.502 4.103 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000460585193 873322909 /nfs/dbraw/zinc/32/29/09/873322909.db2.gz KGXRYWXXIQRUTB-DLQQFWPKSA-N 0 0 421.932 4.317 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000460585196 873323183 /nfs/dbraw/zinc/32/31/83/873323183.db2.gz KGXRYWXXIQRUTB-IIYZAJTGSA-N 0 0 421.932 4.317 20 30 HIEDRN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000460589689 873328002 /nfs/dbraw/zinc/32/80/02/873328002.db2.gz WOLRJBPROXZEKI-ZOKDDAQRSA-N 0 0 421.570 4.408 20 30 HIEDRN COc1cc(CNC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)ccc1C#N ZINC000460600049 873341097 /nfs/dbraw/zinc/34/10/97/873341097.db2.gz QEGFIYGZZDJWBG-UHFFFAOYSA-N 0 0 424.451 4.394 20 30 HIEDRN COC(=O)c1cnc(N(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)s1 ZINC000460641579 873381707 /nfs/dbraw/zinc/38/17/07/873381707.db2.gz 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Cc1nsc(N2CCN(C(=O)c3ccccc3N(C)c3ccccc3)CC2)c1C#N ZINC000461202153 874202916 /nfs/dbraw/zinc/20/29/16/874202916.db2.gz RHJPREJFBYNJJW-UHFFFAOYSA-N 0 0 417.538 4.054 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCO1 ZINC000461262767 874270126 /nfs/dbraw/zinc/27/01/26/874270126.db2.gz ZQVKPLKCESMIDW-IBGZPJMESA-N 0 0 422.504 4.464 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)cn1 ZINC000461275202 874283186 /nfs/dbraw/zinc/28/31/86/874283186.db2.gz CVKVOAWFFWASMN-JOCHJYFZSA-N 0 0 407.477 4.494 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 ZINC000468687324 882812025 /nfs/dbraw/zinc/81/20/25/882812025.db2.gz ABODGNNFPRYYLD-OAHLLOKOSA-N 0 0 406.442 4.321 20 30 HIEDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461278933 874286942 /nfs/dbraw/zinc/28/69/42/874286942.db2.gz YPXWMZICGJCGNB-UHFFFAOYSA-N 0 0 422.470 4.192 20 30 HIEDRN CO[C@@H](C)c1noc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 ZINC000468687322 882812301 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HIEDRN CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461320431 874329571 /nfs/dbraw/zinc/32/95/71/874329571.db2.gz DLQRYVUUJGSPLX-OXJNMPFZSA-N 0 0 407.543 4.463 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3Cc4ccccc4C3)n2Cc2cccs2)cc1 ZINC000461322580 874331916 /nfs/dbraw/zinc/33/19/16/874331916.db2.gz JFFVUHQZLVGGON-UHFFFAOYSA-N 0 0 413.506 4.359 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)cn1 ZINC000461324887 874336262 /nfs/dbraw/zinc/33/62/62/874336262.db2.gz SJRYEVPUJCDYQI-UHFFFAOYSA-N 0 0 407.861 4.366 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCOC1 ZINC000461364526 874366212 /nfs/dbraw/zinc/36/62/12/874366212.db2.gz VDMXJWZLALHCJM-LJQANCHMSA-N 0 0 415.969 4.325 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2sccc2C)n1C[C@@H]1CCOC1 ZINC000461379767 874385605 /nfs/dbraw/zinc/38/56/05/874385605.db2.gz SGCAHOHFNUYEKS-FQEVSTJZSA-N 0 0 419.554 4.416 20 30 HIEDRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461389395 874396328 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4.114 20 30 HIEDRN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000462099768 875208267 /nfs/dbraw/zinc/20/82/67/875208267.db2.gz DJOCBXGRXCMJGY-UHFFFAOYSA-N 0 0 408.321 4.252 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)cn1 ZINC000462099249 875208928 /nfs/dbraw/zinc/20/89/28/875208928.db2.gz CEZYKHJYSOKLNZ-GHTZIAJQSA-N 0 0 400.486 4.062 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1ccc(NCC2CCCC2)cc1 ZINC000462104270 875211158 /nfs/dbraw/zinc/21/11/58/875211158.db2.gz SQFAOUJYATXGCS-UHFFFAOYSA-N 0 0 415.501 4.694 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCc2ccc(C(C)C)cc21 ZINC000462104143 875211772 /nfs/dbraw/zinc/21/17/72/875211772.db2.gz QRVYSVJWSOEIFW-NRFANRHFSA-N 0 0 414.513 4.770 20 30 HIEDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000462125777 875227897 /nfs/dbraw/zinc/22/78/97/875227897.db2.gz KYFCFVJSWKHBNH-KRWDZBQOSA-N 0 0 421.478 4.419 20 30 HIEDRN C[C@@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cccc(C#N)c1 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ZINC000462238505 875351854 /nfs/dbraw/zinc/35/18/54/875351854.db2.gz WOIPDJAJOIZZPQ-UZLBHIALSA-N 0 0 413.518 4.232 20 30 HIEDRN N#CCCCC(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000462249005 875368598 /nfs/dbraw/zinc/36/85/98/875368598.db2.gz RQICALXONBQTOT-IBGZPJMESA-N 0 0 415.493 4.471 20 30 HIEDRN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462252240 875373263 /nfs/dbraw/zinc/37/32/63/875373263.db2.gz APPLZOACFTVESV-KRWDZBQOSA-N 0 0 405.498 4.325 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)c2)cc1 ZINC000462256797 875380032 /nfs/dbraw/zinc/38/00/32/875380032.db2.gz MTPGSNHJAZDUJE-GGAORHGYSA-N 0 0 405.498 4.411 20 30 HIEDRN N#Cc1ccc(N2C(=O)C[C@H](Nc3ccc(COCc4ccccc4)cc3)C2=O)cc1 ZINC000462274025 875401939 /nfs/dbraw/zinc/40/19/39/875401939.db2.gz CYRQDNZYIAOLBO-QHCPKHFHSA-N 0 0 411.461 4.019 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000462402268 875510102 /nfs/dbraw/zinc/51/01/02/875510102.db2.gz 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CCN1CCN(c2ccc(-c3noc([C@@H](C)c4cccc(C#N)c4)n3)cc2F)CC1 ZINC000463051211 876078146 /nfs/dbraw/zinc/07/81/46/876078146.db2.gz AWKHIFKZZBUGFO-INIZCTEOSA-N 0 0 405.477 4.041 20 30 HIEDRN C[C@H](c1ccsc1)N1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000463057686 876086687 /nfs/dbraw/zinc/08/66/87/876086687.db2.gz RXYFNUSZGUJQGB-LJQANCHMSA-N 0 0 405.571 4.404 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@H]2CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000463060358 876088305 /nfs/dbraw/zinc/08/83/05/876088305.db2.gz YKLDZMTVSUNPKI-GAJHUEQPSA-N 0 0 402.454 4.903 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)n1 ZINC000468932528 882996508 /nfs/dbraw/zinc/99/65/08/882996508.db2.gz JOLBEBBAEADUBV-UHFFFAOYSA-N 0 0 401.445 4.730 20 30 HIEDRN C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000463094378 876127354 /nfs/dbraw/zinc/12/73/54/876127354.db2.gz APVKNPCWNNRLFF-KRWDZBQOSA-N 0 0 418.522 4.326 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCCOCC1 ZINC000463105999 876143130 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ZINC000465689234 879241397 /nfs/dbraw/zinc/24/13/97/879241397.db2.gz HAYQNFLHGLIOIW-YADHBBJMSA-N 0 0 419.529 4.198 20 30 HIEDRN Cc1nccn1-c1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1F ZINC000465711879 879280240 /nfs/dbraw/zinc/28/02/40/879280240.db2.gz HCUOJKUOYVUJTP-IFMALSPDSA-N 0 0 417.488 4.301 20 30 HIEDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465788266 879395207 /nfs/dbraw/zinc/39/52/07/879395207.db2.gz NAPLHQCIVCYEJX-DUXKGJEZSA-N 0 0 405.498 4.218 20 30 HIEDRN C=CCc1cc(CNC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1OC ZINC000465810247 879429250 /nfs/dbraw/zinc/42/92/50/879429250.db2.gz KMCPPVSWPYPGQB-QGZVFWFLSA-N 0 0 420.513 4.178 20 30 HIEDRN C=CCc1cc(CNC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cc(OC)c1OC ZINC000465813022 879433211 /nfs/dbraw/zinc/43/32/11/879433211.db2.gz OBYSHGGJRSLRLD-FDDCHVKYSA-N 0 0 424.541 4.412 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(CC)nc2onc(CCC)c21 ZINC000503443639 912462171 /nfs/dbraw/zinc/46/21/71/912462171.db2.gz 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CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000466051892 879741257 /nfs/dbraw/zinc/74/12/57/879741257.db2.gz DTNPTQMRPDFSFA-SFHVURJKSA-N 0 0 410.905 4.458 20 30 HIEDRN CC[C@@H](C)[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)cc1 ZINC000466063986 879762522 /nfs/dbraw/zinc/76/25/22/879762522.db2.gz GNMRNVQAFZJDKZ-IERDGZPVSA-N 0 0 411.937 4.226 20 30 HIEDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503464713 912496282 /nfs/dbraw/zinc/49/62/82/912496282.db2.gz QUGJXOQNYIDBNZ-UHFFFAOYSA-N 0 0 414.509 4.424 20 30 HIEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000503465682 912498557 /nfs/dbraw/zinc/49/85/57/912498557.db2.gz XMUSSIDYDUIDLD-NSHDSACASA-N 0 0 418.824 4.192 20 30 HIEDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000466103767 879821085 /nfs/dbraw/zinc/82/10/85/879821085.db2.gz XZMCTNSPDJWFKE-HNNXBMFYSA-N 0 0 403.486 4.454 20 30 HIEDRN CC(C)N(Cc1cccc(Br)c1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000466105734 879822251 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HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3c3ccccc3Cl)C2)n1 ZINC000471799396 886535226 /nfs/dbraw/zinc/53/52/26/886535226.db2.gz NMXWYRVDFUDHIB-RXVVDRJESA-N 0 0 408.933 4.495 20 30 HIEDRN CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000471873899 886652580 /nfs/dbraw/zinc/65/25/80/886652580.db2.gz PXUBIGZNYMLWSF-PXNSSMCTSA-N 0 0 408.571 4.468 20 30 HIEDRN COc1ccc(C2(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CCCCC2)cc1 ZINC000471886428 886667654 /nfs/dbraw/zinc/66/76/54/886667654.db2.gz NFCTYRQDKULDQC-OAQYLSRUSA-N 0 0 401.510 4.267 20 30 HIEDRN Cc1ccc(OCCCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000471903507 886686511 /nfs/dbraw/zinc/68/65/11/886686511.db2.gz TVFRPEMRGHZNIW-UHFFFAOYSA-N 0 0 419.525 4.211 20 30 HIEDRN N#C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCc2ccccc2C1 ZINC000471907605 886689759 /nfs/dbraw/zinc/68/97/59/886689759.db2.gz PCFSLROUPHEBHB-KRWDZBQOSA-N 0 0 414.836 4.088 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471907830 886691716 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VEQSHUYEQXMMCU-SANMLTNESA-N 0 0 407.473 4.318 20 30 HIEDRN COc1ccccc1OCc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)o1 ZINC000472284847 887103630 /nfs/dbraw/zinc/10/36/30/887103630.db2.gz IRDVJAYMKBXXNB-XMMPIXPASA-N 0 0 402.450 4.048 20 30 HIEDRN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000472363359 887199966 /nfs/dbraw/zinc/19/99/66/887199966.db2.gz LETJUNNMIIQUTH-IRLDBZIGSA-N 0 0 403.526 4.193 20 30 HIEDRN Cc1cc(-c2noc([C@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)n2)ccc1F ZINC000472378747 887220412 /nfs/dbraw/zinc/22/04/12/887220412.db2.gz BORMWGFVDPFAQE-MGPUTAFESA-N 0 0 422.460 4.337 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000472405918 887254183 /nfs/dbraw/zinc/25/41/83/887254183.db2.gz HWLXLFMJPDLXTQ-UHFFFAOYSA-N 0 0 401.388 4.039 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000472440238 887289950 /nfs/dbraw/zinc/28/99/50/887289950.db2.gz WWUAXLIKLLEGNJ-GOSISDBHSA-N 0 0 420.925 4.376 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000472441991 887291579 /nfs/dbraw/zinc/29/15/79/887291579.db2.gz FXXJSUWKGSBIIV-IFMALSPDSA-N 0 0 420.509 4.260 20 30 HIEDRN COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000472456364 887311297 /nfs/dbraw/zinc/31/12/97/887311297.db2.gz WSMSIIZPQYRORS-JOCHJYFZSA-N 0 0 421.541 4.149 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1 ZINC000472458527 887314206 /nfs/dbraw/zinc/31/42/06/887314206.db2.gz XXCGBYCYRZCUEL-HKUYNNGSSA-N 0 0 418.415 4.270 20 30 HIEDRN Cc1ccc([C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c2ccccn2)cc1 ZINC000472469311 887329718 /nfs/dbraw/zinc/32/97/18/887329718.db2.gz JFWCBAGSOGFTIT-DNQXCXABSA-N 0 0 412.493 4.134 20 30 HIEDRN Cc1cc(C)c(CCNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1 ZINC000504291055 913144008 /nfs/dbraw/zinc/14/40/08/913144008.db2.gz XKGNVGNHPYVMDH-GOSISDBHSA-N 0 0 409.555 4.304 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000472544077 887422067 /nfs/dbraw/zinc/42/20/67/887422067.db2.gz FCNSNBIZDVFZEK-WMZOPIPTSA-N 0 0 405.479 4.441 20 30 HIEDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000472551443 887434769 /nfs/dbraw/zinc/43/47/69/887434769.db2.gz XFNSUBRGLORKMW-SJLPKXTDSA-N 0 0 422.872 4.157 20 30 HIEDRN CCc1nsc(N2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000472586904 887465110 /nfs/dbraw/zinc/46/51/10/887465110.db2.gz SUYDXTKCSMEJMG-UHFFFAOYSA-N 0 0 417.582 4.122 20 30 HIEDRN N#CC1(CS(=O)(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CCCC1 ZINC000472697585 887549675 /nfs/dbraw/zinc/54/96/75/887549675.db2.gz HPFUTAVKUMCBRZ-MRXNPFEDSA-N 0 0 418.506 4.209 20 30 HIEDRN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000472712872 887562530 /nfs/dbraw/zinc/56/25/30/887562530.db2.gz IVAXQKNRQACZNV-ISKFKSNPSA-N 0 0 413.525 4.471 20 30 HIEDRN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000472713211 887562670 /nfs/dbraw/zinc/56/26/70/887562670.db2.gz IVAXQKNRQACZNV-UPVQGACJSA-N 0 0 413.525 4.471 20 30 HIEDRN COC[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1ccco1 ZINC000472732084 887578798 /nfs/dbraw/zinc/57/87/98/887578798.db2.gz BOBJSIUREFYMNJ-IBGZPJMESA-N 0 0 409.417 4.379 20 30 HIEDRN C=CCN(C(=O)C(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl)C1CC1 ZINC000472735904 887583060 /nfs/dbraw/zinc/58/30/60/887583060.db2.gz ZNPATGKEINWVIT-UHFFFAOYSA-N 0 0 406.269 4.296 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000472812133 887655481 /nfs/dbraw/zinc/65/54/81/887655481.db2.gz JGNGNGXHXBRDMX-UHFFFAOYSA-N 0 0 409.489 4.025 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@@H](c2cccs2)C1 ZINC000472812871 887657598 /nfs/dbraw/zinc/65/75/98/887657598.db2.gz KQKGWHQAVCITKO-RHSMWYFYSA-N 0 0 415.584 4.351 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000472826745 887674350 /nfs/dbraw/zinc/67/43/50/887674350.db2.gz DXHMUTIBZPBEGW-UHFFFAOYSA-N 0 0 417.303 4.001 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCO[C@@H](c3cccs3)C2)c1C#N ZINC000472836207 887686558 /nfs/dbraw/zinc/68/65/58/887686558.db2.gz RYVLIBDCYKGOEW-LJQANCHMSA-N 0 0 412.559 4.165 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000472942403 887792268 /nfs/dbraw/zinc/79/22/68/887792268.db2.gz KEPQASKKRKMVDG-UHFFFAOYSA-N 0 0 408.889 4.069 20 30 HIEDRN Cc1ccc([C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C2)c(C)c1 ZINC000472969660 887814759 /nfs/dbraw/zinc/81/47/59/887814759.db2.gz RZNWNYNDWJNBCH-SFHVURJKSA-N 0 0 407.539 4.264 20 30 HIEDRN N#Cc1ccc(NC(=O)CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000473025230 887850231 /nfs/dbraw/zinc/85/02/31/887850231.db2.gz SUQHSDUWXMXENP-UHFFFAOYSA-N 0 0 418.324 4.485 20 30 HIEDRN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000473126637 887919578 /nfs/dbraw/zinc/91/95/78/887919578.db2.gz LJJFFUUCBUYXHT-UHFFFAOYSA-N 0 0 419.222 4.449 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000473156850 887935568 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HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(N)=O)o2)cc1Cl ZINC000475662838 890608904 /nfs/dbraw/zinc/60/89/04/890608904.db2.gz AQJKZFLTOONOTI-KRWDZBQOSA-N 0 0 408.845 4.009 20 30 HIEDRN C=C(C)[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccc(F)c(F)c1 ZINC000475679935 890621877 /nfs/dbraw/zinc/62/18/77/890621877.db2.gz AXPLKQGWQMEBNA-NQIIRXRSSA-N 0 0 410.468 4.190 20 30 HIEDRN CCc1nnc(-c2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2)o1 ZINC000475687075 890628777 /nfs/dbraw/zinc/62/87/77/890628777.db2.gz UEMIQENMAWUFQU-UHFFFAOYSA-N 0 0 417.469 4.246 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)[C@@H](O)Cc3ccccc3Cl)c2)c1 ZINC000475712198 890650011 /nfs/dbraw/zinc/65/00/11/890650011.db2.gz YXNRPSPNBPTIIG-QFIPXVFZSA-N 0 0 406.869 4.333 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN3CCO[C@H](c4cccc(C(F)(F)F)c4)C3)o2)c1 ZINC000475737940 890678974 /nfs/dbraw/zinc/67/89/74/890678974.db2.gz HAVWUQGSJJRFME-SFHVURJKSA-N 0 0 414.387 4.201 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000504738870 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4.334 20 30 HIEDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C1(c2ccccc2)CCCC1 ZINC000479776217 895077197 /nfs/dbraw/zinc/07/71/97/895077197.db2.gz NBWHQFINTNFMCD-IBGZPJMESA-N 0 0 424.566 4.394 20 30 HIEDRN N#Cc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000479780079 895082221 /nfs/dbraw/zinc/08/22/21/895082221.db2.gz ZKPOKWGYZMRVCG-UHFFFAOYSA-N 0 0 416.403 4.003 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000479843613 895173020 /nfs/dbraw/zinc/17/30/20/895173020.db2.gz VBIIKKLZIWKSCN-UHFFFAOYSA-N 0 0 402.410 4.101 20 30 HIEDRN Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000479858690 895194167 /nfs/dbraw/zinc/19/41/67/895194167.db2.gz BROGSBMPRLGKQY-UHFFFAOYSA-N 0 0 411.918 4.174 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)NCc2nc3cc(F)ccc3[nH]2)cc1 ZINC000479940802 895291934 /nfs/dbraw/zinc/29/19/34/895291934.db2.gz NDLXVFQSXWSIGF-UHFFFAOYSA-N 0 0 400.413 4.083 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000479994551 895348793 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Cc1ccc2c(ncc(C#N)c2N2CCC[C@H]([C@@H]3CCOC3)C2)c1Br ZINC000480094140 895458081 /nfs/dbraw/zinc/45/80/81/895458081.db2.gz PCVSDSIWGMHWEM-LSDHHAIUSA-N 0 0 400.320 4.430 20 30 HIEDRN COc1ccc(-n2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)n2)cc1 ZINC000505307682 913969108 /nfs/dbraw/zinc/96/91/08/913969108.db2.gz IDJNCVRLMGMPTB-KRWDZBQOSA-N 0 0 401.253 4.182 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2N2CCO[C@@H](c3cccc(O)c3)C2)c1Br ZINC000480098090 895464455 /nfs/dbraw/zinc/46/44/55/895464455.db2.gz ZMJDZZHKLGGXSN-GOSISDBHSA-N 0 0 424.298 4.461 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCCc3ccccc32)nnc1-c1ccco1 ZINC000480112016 895485088 /nfs/dbraw/zinc/48/50/88/895485088.db2.gz JKALCFKXRXRCOG-SFHVURJKSA-N 0 0 422.554 4.443 20 30 HIEDRN CC(=O)c1ccc(C#N)cc1N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000480116466 895489562 /nfs/dbraw/zinc/48/95/62/895489562.db2.gz YTDAQJSNUSGJPC-IBGZPJMESA-N 0 0 413.481 4.120 20 30 HIEDRN CC(=O)N(CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000505308703 913971566 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Cc1ccc2c(c1)SCCCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000488422894 902820353 /nfs/dbraw/zinc/82/03/53/902820353.db2.gz ZGWXRMDPFUQESY-UHFFFAOYSA-N 0 0 423.357 4.320 20 30 HIEDRN CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 ZINC000505991063 914660500 /nfs/dbraw/zinc/66/05/00/914660500.db2.gz KBDINROYTXSOHG-SFHVURJKSA-N 0 0 419.312 4.196 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000488447448 902829696 /nfs/dbraw/zinc/82/96/96/902829696.db2.gz WFOWIXUNBRIFCU-UHFFFAOYSA-N 0 0 410.436 4.497 20 30 HIEDRN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)SCc2ccc(F)cc2C#N)c1 ZINC000488461007 902836480 /nfs/dbraw/zinc/83/64/80/902836480.db2.gz RRJDRQDBDKEMTK-HNNXBMFYSA-N 0 0 413.518 4.440 20 30 HIEDRN C[C@H](N1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1)C(F)(F)F ZINC000488511442 902864118 /nfs/dbraw/zinc/86/41/18/902864118.db2.gz CNBAKIUJUUVJEN-AWEZNQCLSA-N 0 0 421.394 4.198 20 30 HIEDRN C=CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C)c1ccccc1 ZINC000488610051 902899059 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C=CCn1c(S[C@H](C(=O)NC2CCCCCC2)C(C)C)nnc1-c1ccccn1 ZINC000488921372 903076852 /nfs/dbraw/zinc/07/68/52/903076852.db2.gz SRVOLKPTUGZAJF-IBGZPJMESA-N 0 0 413.591 4.482 20 30 HIEDRN Cn1ccnc1-c1csc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000488942216 903090212 /nfs/dbraw/zinc/09/02/12/903090212.db2.gz AZLDKKKDBJEKLR-UHFFFAOYSA-N 0 0 401.451 4.460 20 30 HIEDRN C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1nc(-c2ccccc2)cs1 ZINC000488983208 903104606 /nfs/dbraw/zinc/10/46/06/903104606.db2.gz PLKBJMNMMUXEJG-MAUKXSAKSA-N 0 0 419.510 4.001 20 30 HIEDRN CCOC(=O)c1oc2ccc(Br)cc2c1CN1CCC(C)(C#N)CC1 ZINC000506011686 914688187 /nfs/dbraw/zinc/68/81/87/914688187.db2.gz DKVAZNJHUGOTJF-UHFFFAOYSA-N 0 0 405.292 4.498 20 30 HIEDRN C=CCn1cccc1C(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000489046683 903152884 /nfs/dbraw/zinc/15/28/84/903152884.db2.gz VOXURHXJWVRUOV-UHFFFAOYSA-N 0 0 403.482 4.002 20 30 HIEDRN COC(=O)CCc1csc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000489054382 903161367 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412.559 4.153 20 30 HIEDRN CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000506541586 915185839 /nfs/dbraw/zinc/18/58/39/915185839.db2.gz XHCVULLBPPLCFA-CQSZACIVSA-N 0 0 419.348 4.388 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000506545953 915191440 /nfs/dbraw/zinc/19/14/40/915191440.db2.gz DBKUOKXEEYTFFH-OAHLLOKOSA-N 0 0 419.378 4.061 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000506564618 915212107 /nfs/dbraw/zinc/21/21/07/915212107.db2.gz WBHNJDJKVFFOCI-UHFFFAOYSA-N 0 0 417.849 4.281 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1OC ZINC000506607139 915260871 /nfs/dbraw/zinc/26/08/71/915260871.db2.gz RAHOWZHQMYTWBA-JOCHJYFZSA-N 0 0 401.890 4.045 20 30 HIEDRN CCSCc1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000506607219 915261148 /nfs/dbraw/zinc/26/11/48/915261148.db2.gz DLPMSGGDOOPWRX-HXUWFJFHSA-N 0 0 408.527 4.128 20 30 HIEDRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000506610553 915264917 /nfs/dbraw/zinc/26/49/17/915264917.db2.gz ASQCWFJDRQEALK-LJQANCHMSA-N 0 0 416.525 4.237 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506638331 915306448 /nfs/dbraw/zinc/30/64/48/915306448.db2.gz CVAJDQIELHNURX-UHFFFAOYSA-N 0 0 410.348 4.103 20 30 HIEDRN Cc1noc(C)c1[C@H](C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000506654317 915324972 /nfs/dbraw/zinc/32/49/72/915324972.db2.gz UDHRKBPNJWZWCD-CQSZACIVSA-N 0 0 417.469 4.341 20 30 HIEDRN COC(=O)c1ccc(CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)nc1C1CC1 ZINC000506681363 915358608 /nfs/dbraw/zinc/35/86/08/915358608.db2.gz KNZSOTYQDKLLCK-AWEZNQCLSA-N 0 0 424.526 4.319 20 30 HIEDRN N#Cc1ccnc(N2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 ZINC000506687876 915364915 /nfs/dbraw/zinc/36/49/15/915364915.db2.gz OJGZHOFRXGPWSF-UHFFFAOYSA-N 0 0 414.353 4.313 20 30 HIEDRN COc1ccc(-c2nc(CN3CCN(Cc4ccc(C#N)s4)CC3)cs2)cc1 ZINC000506688499 915365826 /nfs/dbraw/zinc/36/58/26/915365826.db2.gz HBPUDUKEXHHQIY-UHFFFAOYSA-N 0 0 410.568 4.070 20 30 HIEDRN CCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000506757039 915454464 /nfs/dbraw/zinc/45/44/64/915454464.db2.gz DZIVGDICEMEJSG-INIZCTEOSA-N 0 0 418.946 4.375 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)CC2)c1 ZINC000506766813 915472301 /nfs/dbraw/zinc/47/23/01/915472301.db2.gz LYUDREDUMZKJPX-UHFFFAOYSA-N 0 0 405.473 4.430 20 30 HIEDRN CCN(CC(=O)N(Cc1cccc(OC)c1)C12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000513410818 921778804 /nfs/dbraw/zinc/77/88/04/921778804.db2.gz HKFCHVUUZROMER-LYAPCXFUSA-N 0 0 423.601 4.474 20 30 HIEDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000513411144 921780343 /nfs/dbraw/zinc/78/03/43/921780343.db2.gz KBYZWVHBRNEVSJ-JXFKEZNVSA-N 0 0 409.480 4.457 20 30 HIEDRN COc1cccc([C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)c1 ZINC000513414307 921784095 /nfs/dbraw/zinc/78/40/95/921784095.db2.gz CXPXNYNSSWNOOM-QHCPKHFHSA-N 0 0 402.498 4.046 20 30 HIEDRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000513419439 921787573 /nfs/dbraw/zinc/78/75/73/921787573.db2.gz FJNHASAVLLZEIF-AEFFLSMTSA-N 0 0 407.539 4.086 20 30 HIEDRN C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)Cc1cccc(C(F)F)c1 ZINC000506884242 915678483 /nfs/dbraw/zinc/67/84/83/915678483.db2.gz JRVACXNOFWWGAG-UHFFFAOYSA-N 0 0 419.453 4.051 20 30 HIEDRN C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)Cc1ccccc1Cl ZINC000506907117 915705093 /nfs/dbraw/zinc/70/50/93/915705093.db2.gz AWYPSRPIQZVKMJ-UHFFFAOYSA-N 0 0 408.310 4.412 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000506919866 915721130 /nfs/dbraw/zinc/72/11/30/915721130.db2.gz XTUUSEPUFXFYJM-WBVHZDCISA-N 0 0 419.378 4.107 20 30 HIEDRN C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)Cc1csc(C2CC2)n1 ZINC000506926421 915727001 /nfs/dbraw/zinc/72/70/01/915727001.db2.gz DUHBUURYDSAZOJ-UHFFFAOYSA-N 0 0 420.947 4.092 20 30 HIEDRN COC(=O)c1c(NC(=O)N(C)C[C@@H](C)C#N)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000506930864 915732401 /nfs/dbraw/zinc/73/24/01/915732401.db2.gz MLZCIBRZBXWFLK-GOEBONIOSA-N 0 0 411.527 4.431 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000513425230 921793715 /nfs/dbraw/zinc/79/37/15/921793715.db2.gz RPKQLMFTTIMWJJ-UHFFFAOYSA-N 0 0 405.458 4.421 20 30 HIEDRN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000506941706 915747276 /nfs/dbraw/zinc/74/72/76/915747276.db2.gz YEOBEKHHNPLZTA-LPHOPBHVSA-N 0 0 422.529 4.062 20 30 HIEDRN NC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1F ZINC000506957611 915763927 /nfs/dbraw/zinc/76/39/27/915763927.db2.gz YTMOCQJAOVWWLS-CYBMUJFWSA-N 0 0 423.288 4.369 20 30 HIEDRN COC(=O)c1c2c(sc1NC(=O)N(CCC#N)Cc1ccccn1)CCCCC2 ZINC000506968726 915775137 /nfs/dbraw/zinc/77/51/37/915775137.db2.gz LWTWFLKINBHEOT-UHFFFAOYSA-N 0 0 412.515 4.146 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3cc(-c4ccc(Br)s4)[nH]n3)CC2)c1 ZINC000506978725 915786886 /nfs/dbraw/zinc/78/68/86/915786886.db2.gz LAHSTINYXNCYOD-UHFFFAOYSA-N 0 0 413.300 4.443 20 30 HIEDRN COc1cccc(N(CCC#N)S(=O)(=O)c2c(C)cc(Br)cc2C)c1 ZINC000507014020 915822037 /nfs/dbraw/zinc/82/20/37/915822037.db2.gz SXFZVGILVNDDOF-UHFFFAOYSA-N 0 0 423.332 4.184 20 30 HIEDRN COc1ccc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)cc1OC(F)F ZINC000507097881 915868809 /nfs/dbraw/zinc/86/88/09/915868809.db2.gz LEFLOKRUMOYDKP-UHFFFAOYSA-N 0 0 421.350 4.352 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000507201296 915951656 /nfs/dbraw/zinc/95/16/56/915951656.db2.gz GACWYKARIPPPGP-UHFFFAOYSA-N 0 0 414.387 4.059 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507250541 916010617 /nfs/dbraw/zinc/01/06/17/916010617.db2.gz FKGAGPSEFDYURI-QGZVFWFLSA-N 0 0 401.551 4.367 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3ncn(-c4ccccc4)n3)cc2F)c1 ZINC000507265173 916028123 /nfs/dbraw/zinc/02/81/23/916028123.db2.gz QPTCOUKTQRJFMW-UHFFFAOYSA-N 0 0 413.412 4.109 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000507289093 916056879 /nfs/dbraw/zinc/05/68/79/916056879.db2.gz JQTPSBWZDNMLDU-UHFFFAOYSA-N 0 0 419.481 4.101 20 30 HIEDRN C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000507372514 916129030 /nfs/dbraw/zinc/12/90/30/916129030.db2.gz QTPMYPDAUBMZQS-AWEZNQCLSA-N 0 0 402.907 4.105 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000507388991 916148727 /nfs/dbraw/zinc/14/87/27/916148727.db2.gz AFALJQYMZDHLKJ-INIZCTEOSA-N 0 0 407.779 4.143 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CC[C@H]2c2ccc(Cl)cc2)ccc1OC(F)(F)F ZINC000507395531 916157710 /nfs/dbraw/zinc/15/77/10/916157710.db2.gz AMHDJIKQQDYKGD-HNNXBMFYSA-N 0 0 423.778 4.022 20 30 HIEDRN C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000507480899 916249246 /nfs/dbraw/zinc/24/92/46/916249246.db2.gz SOQADJHSDNXASH-UHFFFAOYSA-N 0 0 420.494 4.068 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000507502506 916268954 /nfs/dbraw/zinc/26/89/54/916268954.db2.gz SIBZTFPQVBFONS-QFIPXVFZSA-N 0 0 421.516 4.122 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000507509028 916274468 /nfs/dbraw/zinc/27/44/68/916274468.db2.gz KLCADYXECGJBRO-BWAGFHJFSA-N 0 0 402.498 4.012 20 30 HIEDRN C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)Cc1ccc(F)cc1F ZINC000507540388 916297380 /nfs/dbraw/zinc/29/73/80/916297380.db2.gz ZKSLKMPADSKPTC-UHFFFAOYSA-N 0 0 409.845 4.037 20 30 HIEDRN C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000507549176 916305657 /nfs/dbraw/zinc/30/56/57/916305657.db2.gz JJPSYYXNBZYLCE-UHFFFAOYSA-N 0 0 417.918 4.075 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](c3nccs3)C(F)(F)F)cc2)nc1 ZINC000507574957 916329139 /nfs/dbraw/zinc/32/91/39/916329139.db2.gz GNYYQXPCNANJDS-HNNXBMFYSA-N 0 0 404.373 4.235 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC000507649609 916411149 /nfs/dbraw/zinc/41/11/49/916411149.db2.gz SLFPKHRBXIZPCE-AWEZNQCLSA-N 0 0 415.024 4.154 20 30 HIEDRN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000507672752 916439421 /nfs/dbraw/zinc/43/94/21/916439421.db2.gz BWRZUQWGGNNRDO-RDTXWAMCSA-N 0 0 413.424 4.098 20 30 HIEDRN CCOc1ccccc1Oc1ccc(CNC(=O)Cc2c(F)cccc2C#N)cn1 ZINC000507710459 916500937 /nfs/dbraw/zinc/50/09/37/916500937.db2.gz VYDAZYKWYYBZGH-UHFFFAOYSA-N 0 0 405.429 4.142 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@H]2CCCO2)c1C ZINC000507721171 916513467 /nfs/dbraw/zinc/51/34/67/916513467.db2.gz AGANYNMDHGMWKO-HSZRJFAPSA-N 0 0 405.542 4.231 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000507746694 916537251 /nfs/dbraw/zinc/53/72/51/916537251.db2.gz HMMINPWUUSMWNF-UHFFFAOYSA-N 0 0 409.910 4.248 20 30 HIEDRN N#Cc1ccc(OC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000507785070 916569782 /nfs/dbraw/zinc/56/97/82/916569782.db2.gz QKIKIDSYYSHDNO-UHFFFAOYSA-N 0 0 404.297 4.347 20 30 HIEDRN N#Cc1c2c(sc1NC(=O)CCN1CCO[C@H](c3ccccc3Cl)C1)CCC2 ZINC000507808516 916599749 /nfs/dbraw/zinc/59/97/49/916599749.db2.gz SMWSAXBYGINDHL-SFHVURJKSA-N 0 0 415.946 4.164 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000507849597 916671564 /nfs/dbraw/zinc/67/15/64/916671564.db2.gz FONIRCUXAODKPN-ACJLOTCBSA-N 0 0 415.946 4.162 20 30 HIEDRN C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1=O ZINC000507873003 916711076 /nfs/dbraw/zinc/71/10/76/916711076.db2.gz IDCJCUTXDSWZPX-MRXNPFEDSA-N 0 0 413.433 4.103 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507954600 916813965 /nfs/dbraw/zinc/81/39/65/916813965.db2.gz WPUFGQIHWNCDRK-CQSZACIVSA-N 0 0 406.788 4.323 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1c(F)cc(Cl)c(C)c1F ZINC000507960694 916816303 /nfs/dbraw/zinc/81/63/03/916816303.db2.gz GAGPMIHUKHZXRS-UHFFFAOYSA-N 0 0 424.879 4.247 20 30 HIEDRN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000507970188 916821338 /nfs/dbraw/zinc/82/13/38/916821338.db2.gz ZSVIVMGACPKEIY-UHFFFAOYSA-N 0 0 419.673 4.106 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000507975467 916825344 /nfs/dbraw/zinc/82/53/44/916825344.db2.gz JOEWRXLUYXOLAJ-UHFFFAOYSA-N 0 0 421.545 4.372 20 30 HIEDRN N#Cc1cc(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cnc1C(F)(F)F ZINC000508000325 916841563 /nfs/dbraw/zinc/84/15/63/916841563.db2.gz RFKZBUJKTMTXGW-UHFFFAOYSA-N 0 0 411.387 4.424 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000508004719 916844043 /nfs/dbraw/zinc/84/40/43/916844043.db2.gz CPJZKWWUBGLVAZ-UHFFFAOYSA-N 0 0 421.501 4.026 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3Br)CC2)c(Cl)c1 ZINC000508015845 916853300 /nfs/dbraw/zinc/85/33/00/916853300.db2.gz ZNAHRWRNUWWVAJ-UHFFFAOYSA-N 0 0 422.685 4.076 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)Cc1ccccc1F ZINC000508031722 916864868 /nfs/dbraw/zinc/86/48/68/916864868.db2.gz YMUGSZKCIVZQCV-UHFFFAOYSA-N 0 0 416.287 4.245 20 30 HIEDRN COc1ccc([C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C(F)(F)F)cc1 ZINC000508077512 916897758 /nfs/dbraw/zinc/89/77/58/916897758.db2.gz SKGNKVFVBZULEY-HXUWFJFHSA-N 0 0 419.403 4.095 20 30 HIEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N(C)c1ccccc1C#N ZINC000508081911 916900559 /nfs/dbraw/zinc/90/05/59/916900559.db2.gz ZLBPDIJPCZFOQK-MRXNPFEDSA-N 0 0 401.304 4.179 20 30 HIEDRN N#Cc1ccc(NCC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC000508105248 916920471 /nfs/dbraw/zinc/92/04/71/916920471.db2.gz SWHUWVAIXVMBSH-MRXNPFEDSA-N 0 0 401.310 4.409 20 30 HIEDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(C)c3ccccc3C#N)cc2)cc1 ZINC000508109413 916924254 /nfs/dbraw/zinc/92/42/54/916924254.db2.gz IIPIFWLZVQSACD-UHFFFAOYSA-N 0 0 404.491 4.117 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1Cl ZINC000508111520 916927809 /nfs/dbraw/zinc/92/78/09/916927809.db2.gz VPEPPBGBNRXCHG-MRXNPFEDSA-N 0 0 413.808 4.275 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000508119964 916935873 /nfs/dbraw/zinc/93/58/73/916935873.db2.gz SLXCEINVPKVUOD-ZJSXRUAMSA-N 0 0 419.525 4.279 20 30 HIEDRN N#Cc1cccc(CNC(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 ZINC000508141425 916962777 /nfs/dbraw/zinc/96/27/77/916962777.db2.gz HGVXFXTXBUHNFH-UHFFFAOYSA-N 0 0 421.504 4.469 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000508144784 916964536 /nfs/dbraw/zinc/96/45/36/916964536.db2.gz DXKRRKKIFKVDAW-UHFFFAOYSA-N 0 0 422.510 4.184 20 30 HIEDRN CSCc1ccc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000508161121 916981760 /nfs/dbraw/zinc/98/17/60/916981760.db2.gz KAXNYAHJQYREHL-OAHLLOKOSA-N 0 0 413.568 4.199 20 30 HIEDRN CCOC(=O)c1cnc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n1C ZINC000508165099 916987143 /nfs/dbraw/zinc/98/71/43/916987143.db2.gz PTRUVVVWZPBXAK-UHFFFAOYSA-N 0 0 424.844 4.166 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)ccc1OC(F)(F)F ZINC000508189090 917011174 /nfs/dbraw/zinc/01/11/74/917011174.db2.gz KIDXJSQMXNHOCI-UHFFFAOYSA-N 0 0 417.246 4.219 20 30 HIEDRN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000508200913 917020657 /nfs/dbraw/zinc/02/06/57/917020657.db2.gz ITLYIRVRXNREHH-UHFFFAOYSA-N 0 0 411.424 4.116 20 30 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923110206 /nfs/dbraw/zinc/11/02/06/923110206.db2.gz LTFGVNHBKHTIKG-AWEZNQCLSA-N 0 0 421.522 4.210 20 30 HIEDRN C=C(C)Cn1c(CCCC)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000515517707 923148944 /nfs/dbraw/zinc/14/89/44/923148944.db2.gz KWTUIWJBALOLHN-UHFFFAOYSA-N 0 0 413.566 4.295 20 30 HIEDRN COc1ccc(C(=O)C2CCN(Cc3ccc(Br)cc3C#N)CC2)cc1 ZINC000515534179 923160986 /nfs/dbraw/zinc/16/09/86/923160986.db2.gz REKGDEPDGLHVJS-UHFFFAOYSA-N 0 0 413.315 4.424 20 30 HIEDRN Cc1c2c(nc(SCc3nnnn3-c3ccc(C(F)(F)F)cc3)c1C#N)CCC2 ZINC000515592650 923204992 /nfs/dbraw/zinc/20/49/92/923204992.db2.gz YGIBWOUEABLLEB-UHFFFAOYSA-N 0 0 416.432 4.037 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000515623918 923223519 /nfs/dbraw/zinc/22/35/19/923223519.db2.gz CMNDVTMADRQVPC-UHFFFAOYSA-N 0 0 419.456 4.493 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000515651295 923243457 /nfs/dbraw/zinc/24/34/57/923243457.db2.gz CIZKYACGJONTIA-UHFFFAOYSA-N 0 0 402.450 4.412 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000515676447 923260965 /nfs/dbraw/zinc/26/09/65/923260965.db2.gz GXLFQFKOHBWXJO-UHFFFAOYSA-N 0 0 408.527 4.439 20 30 HIEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000515683625 923268167 /nfs/dbraw/zinc/26/81/67/923268167.db2.gz IEPBOYVLJIEHTL-UHFFFAOYSA-N 0 0 400.463 4.025 20 30 HIEDRN N#Cc1c(NC(=O)CCNC(=O)c2cccs2)sc2c1-c1ccccc1CC2 ZINC000515701991 923286385 /nfs/dbraw/zinc/28/63/85/923286385.db2.gz XKVIZMASBMDIDV-UHFFFAOYSA-N 0 0 407.520 4.205 20 30 HIEDRN C[C@H](Nc1cccc(COCCOc2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000515715882 923297841 /nfs/dbraw/zinc/29/78/41/923297841.db2.gz TZLTXDAACDXFGK-FQEVSTJZSA-N 0 0 421.541 4.425 20 30 HIEDRN CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000515720388 923301173 /nfs/dbraw/zinc/30/11/73/923301173.db2.gz JHWRHTAPCGSCGB-HNNXBMFYSA-N 0 0 415.453 4.143 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000515726997 923308298 /nfs/dbraw/zinc/30/82/98/923308298.db2.gz QWYOVCHCHWUUCR-UHFFFAOYSA-N 0 0 410.392 4.194 20 30 HIEDRN COc1cc(-c2ccccc2)sc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000515746034 923319695 /nfs/dbraw/zinc/31/96/95/923319695.db2.gz JQFZBSLPZMZVII-HXUWFJFHSA-N 0 0 417.534 4.446 20 30 HIEDRN Cc1ccc(-c2nc(C)c(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)s2)o1 ZINC000515747498 923320478 /nfs/dbraw/zinc/32/04/78/923320478.db2.gz UAJBDOMMUPZONR-SFHVURJKSA-N 0 0 406.511 4.043 20 30 HIEDRN CCCCOc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000515751400 923323854 /nfs/dbraw/zinc/32/38/54/923323854.db2.gz VSUIKPJCJIXZCG-UHFFFAOYSA-N 0 0 412.433 4.234 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000515766842 923335714 /nfs/dbraw/zinc/33/57/14/923335714.db2.gz BVHKQPOKFSNKFO-UHFFFAOYSA-N 0 0 420.488 4.431 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000515868917 923402053 /nfs/dbraw/zinc/40/20/53/923402053.db2.gz PKGDGQJHWPEIKW-QGZVFWFLSA-N 0 0 405.498 4.369 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1Cl ZINC000515903836 923423546 /nfs/dbraw/zinc/42/35/46/923423546.db2.gz ZGDZZCXPADGMRP-OAQYLSRUSA-N 0 0 417.896 4.293 20 30 HIEDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000516064464 923525781 /nfs/dbraw/zinc/52/57/81/923525781.db2.gz OTKICMOIHFDGHN-UHFFFAOYSA-N 0 0 420.900 4.346 20 30 HIEDRN C[C@](C#N)(NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C1CCCCC1 ZINC000516106908 923545428 /nfs/dbraw/zinc/54/54/28/923545428.db2.gz HYXLQUOLOHCMND-HRAATJIYSA-N 0 0 421.463 4.033 20 30 HIEDRN CCc1cccc(Cc2cnc(NC(=O)COc3ccc(C#N)cc3OC)s2)c1 ZINC000516129124 923561796 /nfs/dbraw/zinc/56/17/96/923561796.db2.gz VMHMPUXOMJRRKA-UHFFFAOYSA-N 0 0 407.495 4.194 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ncc(Cc2ccc(C)c(C)c2)s1 ZINC000516129265 923563562 /nfs/dbraw/zinc/56/35/62/923563562.db2.gz BMRGLGXFKGODDD-UHFFFAOYSA-N 0 0 407.495 4.249 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000516145701 923574221 /nfs/dbraw/zinc/57/42/21/923574221.db2.gz HCVQDRMUVGBQAO-OAQYLSRUSA-N 0 0 415.449 4.474 20 30 HIEDRN N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000516357994 923687261 /nfs/dbraw/zinc/68/72/61/923687261.db2.gz TZQZMOKFDSGJML-UHFFFAOYSA-N 0 0 422.441 4.138 20 30 HIEDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000516400977 923712111 /nfs/dbraw/zinc/71/21/11/923712111.db2.gz OHEYCCXVSWWCDO-JTSKRJEESA-N 0 0 407.514 4.263 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000516450585 923739681 /nfs/dbraw/zinc/73/96/81/923739681.db2.gz CQKZXBZJPPKZPK-UHFFFAOYSA-N 0 0 406.482 4.272 20 30 HIEDRN N#Cc1cc(Oc2ccc(N[C@H]3CCCN(c4cccc(F)c4)C3=O)cc2)ccn1 ZINC000516520872 923777229 /nfs/dbraw/zinc/77/72/29/923777229.db2.gz VNTVYQSTRMXLGD-QFIPXVFZSA-N 0 0 402.429 4.492 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000516522856 923778832 /nfs/dbraw/zinc/77/88/32/923778832.db2.gz WYZRXMQYTXHRSI-LMMKCTJWSA-N 0 0 419.525 4.391 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000516529508 923781027 /nfs/dbraw/zinc/78/10/27/923781027.db2.gz IDEXYGIUCZVWLY-UHFFFAOYSA-N 0 0 405.281 4.444 20 30 HIEDRN C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2cc(F)ccc2C1 ZINC000516605059 923812953 /nfs/dbraw/zinc/81/29/53/923812953.db2.gz QRSQLESTZHUVIY-UHFFFAOYSA-N 0 0 410.518 4.467 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCOC1CCCCC1 ZINC000516735959 923868870 /nfs/dbraw/zinc/86/88/70/923868870.db2.gz FBBWXSNNFMWVJH-UHFFFAOYSA-N 0 0 421.497 4.063 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000516739040 923870211 /nfs/dbraw/zinc/87/02/11/923870211.db2.gz RQPQDUUQWLPTMW-FCHUYYIVSA-N 0 0 405.498 4.150 20 30 HIEDRN C=C(C)Cn1c(COCC)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000516789863 923888436 /nfs/dbraw/zinc/88/84/36/923888436.db2.gz IAGLYDOUNGBGLH-UHFFFAOYSA-N 0 0 402.926 4.143 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H](O)Cc2ccccc2)c1 ZINC000516799276 923892306 /nfs/dbraw/zinc/89/23/06/923892306.db2.gz PYIRCHMUJRXPSQ-HXUWFJFHSA-N 0 0 406.869 4.337 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)c(F)c1 ZINC000516807869 923895396 /nfs/dbraw/zinc/89/53/96/923895396.db2.gz IIYCPTHXCNZHJS-AWEZNQCLSA-N 0 0 402.351 4.053 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCc4sc(Cl)cc43)n2)c(F)c1 ZINC000516817952 923901988 /nfs/dbraw/zinc/90/19/88/923901988.db2.gz TWFMGUCLKZWCSA-ZDUSSCGKSA-N 0 0 401.854 4.407 20 30 HIEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)cc1 ZINC000516820484 923905501 /nfs/dbraw/zinc/90/55/01/923905501.db2.gz JLKRXPLLOJZCJK-GOSISDBHSA-N 0 0 412.555 4.154 20 30 HIEDRN Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000517184146 924041927 /nfs/dbraw/zinc/04/19/27/924041927.db2.gz XKMVJYVTAFJTCV-UHFFFAOYSA-N 0 0 420.494 4.021 20 30 HIEDRN CC(C)c1nc(C2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)no1 ZINC000517252222 924060758 /nfs/dbraw/zinc/06/07/58/924060758.db2.gz MXRHQLKOANFNRJ-UHFFFAOYSA-N 0 0 405.502 4.471 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000517304019 924090571 /nfs/dbraw/zinc/09/05/71/924090571.db2.gz AVPYNNDDOGYTRM-KRWDZBQOSA-N 0 0 412.449 4.191 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000517365487 924135162 /nfs/dbraw/zinc/13/51/62/924135162.db2.gz QEUSPYUJODJLCH-HXPMCKFVSA-N 0 0 423.271 4.372 20 30 HIEDRN CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1=O ZINC000517378230 924145277 /nfs/dbraw/zinc/14/52/77/924145277.db2.gz CFOOTPCQPRDMNP-NQIIRXRSSA-N 0 0 419.525 4.307 20 30 HIEDRN CC[C@@H](C)[C@H](NC(=O)c1sccc1C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000517433813 924183565 /nfs/dbraw/zinc/18/35/65/924183565.db2.gz DUKMKGQYSOSXED-UTKZUKDTSA-N 0 0 423.582 4.246 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2nc(Sc3ccccc3)ns2)CC1 ZINC000517439492 924188628 /nfs/dbraw/zinc/18/86/28/924188628.db2.gz VYAXQZXHTVWKDX-UHFFFAOYSA-N 0 0 422.539 4.174 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000517443127 924192995 /nfs/dbraw/zinc/19/29/95/924192995.db2.gz NVMHFWRMAIPVPO-UHFFFAOYSA-N 0 0 419.510 4.170 20 30 HIEDRN CCCn1c2ccccc2n(CCC(=O)Nc2ccccc2SCCC#N)c1=O ZINC000517443181 924193100 /nfs/dbraw/zinc/19/31/00/924193100.db2.gz PGPFXSOUWUIQRB-UHFFFAOYSA-N 0 0 408.527 4.248 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)CCCn3c(=O)oc4ccccc43)cc2)ccn1 ZINC000517446082 924194241 /nfs/dbraw/zinc/19/42/41/924194241.db2.gz WFYCTKXXFQSYJY-UHFFFAOYSA-N 0 0 414.421 4.072 20 30 HIEDRN Cc1cc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)cc(N2CCCC2)n1 ZINC000517448990 924197866 /nfs/dbraw/zinc/19/78/66/924197866.db2.gz JMIUYWHMOGULAG-UHFFFAOYSA-N 0 0 409.440 4.046 20 30 HIEDRN Cc1ccc(SCCNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000517465560 924208898 /nfs/dbraw/zinc/20/88/98/924208898.db2.gz LGNVPMPZBQSHOR-INIZCTEOSA-N 0 0 413.568 4.094 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCc1csc2ccccc12 ZINC000517467440 924209871 /nfs/dbraw/zinc/20/98/71/924209871.db2.gz ZNGVMDUKDOBCOJ-OAHLLOKOSA-N 0 0 423.563 4.450 20 30 HIEDRN C=CCN(C(=O)c1cccc(OCC(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517511110 924237890 /nfs/dbraw/zinc/23/78/90/924237890.db2.gz PRLIWRSKQUUBKL-SFHVURJKSA-N 0 0 405.502 4.087 20 30 HIEDRN C=CCN(C(=O)c1cc(Cl)ccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517511809 924239275 /nfs/dbraw/zinc/23/92/75/924239275.db2.gz SHTFDPRPFAUPOR-ZDUSSCGKSA-N 0 0 402.285 4.359 20 30 HIEDRN C=CCN(C(=O)NCC(C)(C)c1ccc(C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517517957 924241982 /nfs/dbraw/zinc/24/19/82/924241982.db2.gz YATKMPCPVMREKA-LJQANCHMSA-N 0 0 418.545 4.207 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1CN1CCOCC1 ZINC000517530011 924248358 /nfs/dbraw/zinc/24/83/58/924248358.db2.gz JPESUIRLIYGZFI-GOSISDBHSA-N 0 0 424.570 4.235 20 30 HIEDRN CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1 ZINC000517532348 924249270 /nfs/dbraw/zinc/24/92/70/924249270.db2.gz HGKFEZYAXNUPKI-UHFFFAOYSA-N 0 0 414.465 4.374 20 30 HIEDRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000517531350 924249762 /nfs/dbraw/zinc/24/97/62/924249762.db2.gz BSIXXMZWPNLGGV-IRXDYDNUSA-N 0 0 416.591 4.485 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccnc(Oc4ccccc4)c3)C2)c(F)c1 ZINC000517581093 926693980 /nfs/dbraw/zinc/69/39/80/926693980.db2.gz CUJZAGIYCHBRLM-IBGZPJMESA-N 0 0 416.456 4.283 20 30 HIEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1S[C@H]1CCN(c2ccccc2)C1=O ZINC000517584292 926695829 /nfs/dbraw/zinc/69/58/29/926695829.db2.gz PTCKDLISFQZDSU-SFHVURJKSA-N 0 0 411.914 4.134 20 30 HIEDRN Cc1cccc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)CC2=O)c1C ZINC000517605485 926713123 /nfs/dbraw/zinc/71/31/23/926713123.db2.gz ZTTABBJWERIJPD-YJBOKZPZSA-N 0 0 416.308 4.344 20 30 HIEDRN CCc1ccccc1N1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000517605674 926713397 /nfs/dbraw/zinc/71/33/97/926713397.db2.gz SDVOXCROSCSDGV-YJBOKZPZSA-N 0 0 416.308 4.290 20 30 HIEDRN CCCCCn1nc(C(=O)N[C@@H](C#N)c2ccc(CC)cc2)c2ccccc2c1=O ZINC000517621185 926728946 /nfs/dbraw/zinc/72/89/46/926728946.db2.gz RELVLAXUISBFNU-NRFANRHFSA-N 0 0 402.498 4.144 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)c2)cc1 ZINC000517621298 926729081 /nfs/dbraw/zinc/72/90/81/926729081.db2.gz TXFWGHCBGBJDBG-JOCHJYFZSA-N 0 0 412.449 4.278 20 30 HIEDRN COc1cc(OC)cc(N2CC[C@H](Nc3cccc(Br)c3C#N)C2)c1 ZINC000517637431 926745134 /nfs/dbraw/zinc/74/51/34/926745134.db2.gz QAOIVQISKIDZAG-ZDUSSCGKSA-N 0 0 402.292 4.029 20 30 HIEDRN C=CCc1cc(CNC(=O)C2(c3ccc(C)cc3)CCOCC2)cc(OC)c1OC ZINC000517656362 926763670 /nfs/dbraw/zinc/76/36/70/926763670.db2.gz HKEGTWOVZBJQAI-UHFFFAOYSA-N 0 0 409.526 4.105 20 30 HIEDRN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000517682300 926787895 /nfs/dbraw/zinc/78/78/95/926787895.db2.gz KHXHKVAVYVEBML-UHFFFAOYSA-N 0 0 403.486 4.374 20 30 HIEDRN COC(=O)c1ccc(C(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cn1 ZINC000517685585 926788510 /nfs/dbraw/zinc/78/85/10/926788510.db2.gz UAZGBFCEYUEHRI-UHFFFAOYSA-N 0 0 403.413 4.034 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](CO)Cc1ccco1 ZINC000517687056 926789693 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413.478 4.023 20 30 HIEDRN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2COC(C)(C)CC)c1 ZINC000543601965 940127994 /nfs/dbraw/zinc/12/79/94/940127994.db2.gz CGLYQQJZYAVGFA-UHFFFAOYSA-N 0 0 416.543 4.108 20 30 HIEDRN N#Cc1cccc(-c2c[nH]c(CNS(=O)(=O)c3c(Cl)ccc4ccccc43)n2)c1 ZINC000543677098 940157908 /nfs/dbraw/zinc/15/79/08/940157908.db2.gz ZJZOMWWFLHQWAV-UHFFFAOYSA-N 0 0 422.897 4.233 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000543716686 940169855 /nfs/dbraw/zinc/16/98/55/940169855.db2.gz MHTXYVWRXSYEEJ-QHCPKHFHSA-N 0 0 404.470 4.201 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccccc2OCc2ccncc2)n1 ZINC000543754309 940175457 /nfs/dbraw/zinc/17/54/57/940175457.db2.gz GOLRGXKXAVCYQB-UHFFFAOYSA-N 0 0 413.412 4.109 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)n1 ZINC000543767453 940180288 /nfs/dbraw/zinc/18/02/88/940180288.db2.gz FSZBAYCTOLCEKN-MEDUHNTESA-N 0 0 413.815 4.353 20 30 HIEDRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N3CCC(CC#N)CC3)c2)c1 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400.482 4.333 20 30 HIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cc(Cl)c2c(c1)OCCO2 ZINC000554870996 942301978 /nfs/dbraw/zinc/30/19/78/942301978.db2.gz LSSJCJRNBZOARV-UHFFFAOYSA-N 0 0 401.249 4.308 20 30 HIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000554871306 942302099 /nfs/dbraw/zinc/30/20/99/942302099.db2.gz ROLZKNQURUURHE-UHFFFAOYSA-N 0 0 424.869 4.190 20 30 HIEDRN CC1=C(c2ccco2)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000554897016 942311447 /nfs/dbraw/zinc/31/14/47/942311447.db2.gz LNNPMDNUMDXOAX-UHFFFAOYSA-N 0 0 407.861 4.702 20 30 HIEDRN C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000554926296 942322412 /nfs/dbraw/zinc/32/24/12/942322412.db2.gz KWOZOJLOXDFFRI-OAQYLSRUSA-N 0 0 422.554 4.348 20 30 HIEDRN C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCCC(C)(C)C1 ZINC000554930193 942322792 /nfs/dbraw/zinc/32/27/92/942322792.db2.gz LCBNSGFROHGGKG-UHFFFAOYSA-N 0 0 420.561 4.438 20 30 HIEDRN C=CCn1c(-c2cc3c(C)nn(-c4ccccc4)c3s2)nnc1N(C)[C@@H]1CCOC1 ZINC000554932194 942323671 /nfs/dbraw/zinc/32/36/71/942323671.db2.gz QECRDRONZNHNOB-QGZVFWFLSA-N 0 0 420.542 4.065 20 30 HIEDRN Cc1cc(Cl)c2ncc(C#N)c(NCCNC(=O)c3c(F)cccc3F)c2c1 ZINC000554933932 942324142 /nfs/dbraw/zinc/32/41/42/942324142.db2.gz WTWCORONZDBVJH-UHFFFAOYSA-N 0 0 400.816 4.188 20 30 HIEDRN C=CCn1c(COCC)nnc1N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000554936238 942325106 /nfs/dbraw/zinc/32/51/06/942325106.db2.gz QGJKBCTYYFNTBK-INIZCTEOSA-N 0 0 409.303 4.244 20 30 HIEDRN COC(=O)c1cccc(CNC(C)(C)c2ccc(Br)c(C)c2)c1C#N ZINC000554958559 942334096 /nfs/dbraw/zinc/33/40/96/942334096.db2.gz NDBSSTISNPPLQB-UHFFFAOYSA-N 0 0 401.304 4.441 20 30 HIEDRN COc1ccc(-c2nnc(SCCOCCC#N)n2C2CCCCC2)cc1OC ZINC000554969131 942337822 /nfs/dbraw/zinc/33/78/22/942337822.db2.gz DEEWBMXDEBAKRR-UHFFFAOYSA-N 0 0 416.547 4.490 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc2)c1 ZINC000554987567 942344254 /nfs/dbraw/zinc/34/42/54/942344254.db2.gz FNCZNQBFJGRHCO-BJKOFHAPSA-N 0 0 402.519 4.328 20 30 HIEDRN Cc1cc(NC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)nn1CCC#N ZINC000554989140 942344786 /nfs/dbraw/zinc/34/47/86/942344786.db2.gz WAIFWZJZRDOQPS-KRWDZBQOSA-N 0 0 421.467 4.903 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000555075620 942377995 /nfs/dbraw/zinc/37/79/95/942377995.db2.gz KKGSNYKQYKIBRN-SJORKVTESA-N 0 0 412.371 4.385 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000555099733 942385438 /nfs/dbraw/zinc/38/54/38/942385438.db2.gz WBJKHZBHHNTFDI-ACJLOTCBSA-N 0 0 406.498 4.463 20 30 HIEDRN N#Cc1ccc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C(F)(F)F)c1 ZINC000555101099 942385766 /nfs/dbraw/zinc/38/57/66/942385766.db2.gz YFDUTXNEFANSET-UHFFFAOYSA-N 0 0 421.426 4.319 20 30 HIEDRN N#Cc1cc2c(nc1N1CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C1)CCCC2 ZINC000555134869 942398232 /nfs/dbraw/zinc/39/82/32/942398232.db2.gz MJQHHLIGODXAHG-INIZCTEOSA-N 0 0 407.493 4.009 20 30 HIEDRN N#CCc1ccc(OC[C@@H](O)COc2c(Cl)cc(Cl)c3cccnc32)cc1 ZINC000555135329 942399150 /nfs/dbraw/zinc/39/91/50/942399150.db2.gz IKNRZMIGUMUHEX-CQSZACIVSA-N 0 0 403.265 4.426 20 30 HIEDRN C=CCN1C(=O)N(C[C@@H](Cc2ccccc2)C(F)(F)F)C(=O)[C@H]1Cc1ccccc1 ZINC000555145219 942403759 /nfs/dbraw/zinc/40/37/59/942403759.db2.gz CDCXFUVCGICCBM-WOJBJXKFSA-N 0 0 416.443 4.469 20 30 HIEDRN Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)o1 ZINC000555154116 942407665 /nfs/dbraw/zinc/40/76/65/942407665.db2.gz AFMICWARTWWLMI-UHFFFAOYSA-N 0 0 413.481 4.315 20 30 HIEDRN COc1cc(CNC(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)ccc1C#N ZINC000555167312 942413953 /nfs/dbraw/zinc/41/39/53/942413953.db2.gz ANYFDMUXDSMYLE-QFIPXVFZSA-N 0 0 400.482 4.054 20 30 HIEDRN CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 ZINC000555174380 942416588 /nfs/dbraw/zinc/41/65/88/942416588.db2.gz KOXPDSUWFIVPIY-UHFFFAOYSA-N 0 0 401.514 4.259 20 30 HIEDRN CCCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2)cc1OC ZINC000555174085 942416759 /nfs/dbraw/zinc/41/67/59/942416759.db2.gz INFYMNOYTUDQEC-GOSISDBHSA-N 0 0 419.529 4.387 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ZINC000555251024 942446723 /nfs/dbraw/zinc/44/67/23/942446723.db2.gz WHGGEQAAIQVYAM-UHFFFAOYSA-N 0 0 419.533 4.341 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC(COC)CC1 ZINC000555252293 942446988 /nfs/dbraw/zinc/44/69/88/942446988.db2.gz JATHNUFKEWYTKC-SFHVURJKSA-N 0 0 414.550 4.256 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000555255685 942448504 /nfs/dbraw/zinc/44/85/04/942448504.db2.gz KMHGNMUDOPUHFG-HNNXBMFYSA-N 0 0 419.932 4.123 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC000555256122 942448556 /nfs/dbraw/zinc/44/85/56/942448556.db2.gz VLAWHZAIWCYGNE-PMACEKPBSA-N 0 0 410.562 4.493 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCOC2(CCCC2)C1 ZINC000555253954 942448958 /nfs/dbraw/zinc/44/89/58/942448958.db2.gz WWBADYCDURDRLO-UHFFFAOYSA-N 0 0 402.926 4.333 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000555259057 942450660 /nfs/dbraw/zinc/45/06/60/942450660.db2.gz XPUFVPJLLCGIKF-LJQANCHMSA-N 0 0 409.578 4.208 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000555260111 942450746 /nfs/dbraw/zinc/45/07/46/942450746.db2.gz KLAKGEPYRMMPAY-UHFFFAOYSA-N 0 0 421.570 4.162 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000555260737 942451268 /nfs/dbraw/zinc/45/12/68/942451268.db2.gz KCWFVAYUWVQNDM-LJQANCHMSA-N 0 0 414.525 4.142 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000555260675 942451307 /nfs/dbraw/zinc/45/13/07/942451307.db2.gz JJMGJGRRHKQDQI-YADHBBJMSA-N 0 0 410.562 4.181 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)Cc1ncc(CC)s1 ZINC000555261430 942451376 /nfs/dbraw/zinc/45/13/76/942451376.db2.gz UYXIFCONTGEZKR-UHFFFAOYSA-N 0 0 401.511 4.228 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000555264659 942453535 /nfs/dbraw/zinc/45/35/35/942453535.db2.gz TWPJJVJLPFIUQX-OAQYLSRUSA-N 0 0 405.546 4.110 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC000555263904 942453588 /nfs/dbraw/zinc/45/35/88/942453588.db2.gz LFBHQKXUSCVMRE-IBGZPJMESA-N 0 0 403.530 4.169 20 30 HIEDRN C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC000555268453 942454908 /nfs/dbraw/zinc/45/49/08/942454908.db2.gz JFUCBCNAEFOLJQ-SFHVURJKSA-N 0 0 410.591 4.209 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC2(CCO2)CC1 ZINC000555266615 942455294 /nfs/dbraw/zinc/45/52/94/942455294.db2.gz CBYLHDMWKPEADC-UHFFFAOYSA-N 0 0 421.314 4.182 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc(Br)c1Cl ZINC000555271009 942456862 /nfs/dbraw/zinc/45/68/62/942456862.db2.gz PKLMXFMPBVCEFU-UHFFFAOYSA-N 0 0 414.731 4.219 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC000555271296 942457013 /nfs/dbraw/zinc/45/70/13/942457013.db2.gz BCNAWQMAUWUSON-QFIPXVFZSA-N 0 0 421.589 4.377 20 30 HIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000555271854 942457998 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JUSREXKSDXZXJR-NRFANRHFSA-N 0 0 413.477 4.312 20 30 HIEDRN C=CCn1c(Sc2nc(C)cc(C(=O)OC)n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000557475952 943153978 /nfs/dbraw/zinc/15/39/78/943153978.db2.gz XFFNTPUDYGPOTO-UHFFFAOYSA-N 0 0 423.542 4.465 20 30 HIEDRN CCCCN(C)C(=O)C1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000557503636 943173477 /nfs/dbraw/zinc/17/34/77/943173477.db2.gz GLTGDYKZNSHLMA-UHFFFAOYSA-N 0 0 412.759 4.449 20 30 HIEDRN C[S@](=O)c1cccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000557503199 943173721 /nfs/dbraw/zinc/17/37/21/943173721.db2.gz GLEREEWYEPYHGK-NDEPHWFRSA-N 0 0 415.946 4.194 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c1C ZINC000557523590 943189977 /nfs/dbraw/zinc/18/99/77/943189977.db2.gz ZKPHTGPYEMVLLP-QGZVFWFLSA-N 0 0 421.476 4.090 20 30 HIEDRN CC[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H](C)[S@]1=O ZINC000557579176 943218087 /nfs/dbraw/zinc/21/80/87/943218087.db2.gz XFEXWVJZPWIAHO-UDUGOUHASA-N 0 0 416.930 4.376 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCCC[C@H]3c3nc4ccccc4o3)C2)c(F)c1 ZINC000557584557 943220509 /nfs/dbraw/zinc/22/05/09/943220509.db2.gz TWXQDZZSVWXDCH-UWJYYQICSA-N 0 0 418.472 4.419 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCOc1ccccc1Br ZINC000557589475 943222820 /nfs/dbraw/zinc/22/28/20/943222820.db2.gz YOGTWGKVISQHJP-UHFFFAOYSA-N 0 0 422.319 4.298 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N(Cc3ccco3)Cc3ccc(O)cc3)C2)c(F)c1 ZINC000557597722 943224544 /nfs/dbraw/zinc/22/45/44/943224544.db2.gz OEWOAMDROLPTPK-IBGZPJMESA-N 0 0 419.456 4.051 20 30 HIEDRN CC1(C(=O)N2CC[C@@H](C3CCOCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557598980 943226316 /nfs/dbraw/zinc/22/63/16/943226316.db2.gz QXPMHYGDHCTOPF-GOSISDBHSA-N 0 0 415.965 4.093 20 30 HIEDRN CCCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCc2cccnc21 ZINC000557611570 943230649 /nfs/dbraw/zinc/23/06/49/943230649.db2.gz QQVPLBSCBDRZFI-KNQAVFIVSA-N 0 0 406.505 4.235 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000557612409 943230759 /nfs/dbraw/zinc/23/07/59/943230759.db2.gz ZYXCEBFWQGNZCL-UHFFFAOYSA-N 0 0 400.479 4.054 20 30 HIEDRN CC1(C)CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1 ZINC000557611114 943231134 /nfs/dbraw/zinc/23/11/34/943231134.db2.gz KSRAOJKNSQYCNH-UHFFFAOYSA-N 0 0 413.465 4.298 20 30 HIEDRN COc1cc(F)cc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000557610727 943231207 /nfs/dbraw/zinc/23/12/07/943231207.db2.gz FHFZKOPOJRUORO-UHFFFAOYSA-N 0 0 415.896 4.282 20 30 HIEDRN CC[C@H](C)n1ncc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1C1CC1 ZINC000557658053 943250276 /nfs/dbraw/zinc/25/02/76/943250276.db2.gz ZBLCBFVVVVWGNK-HNNXBMFYSA-N 0 0 410.493 4.426 20 30 HIEDRN N#Cc1cc(Cl)cc(Br)c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000557685672 943258439 /nfs/dbraw/zinc/25/84/39/943258439.db2.gz HGYOSTAPFJSOMX-UHFFFAOYSA-N 0 0 401.695 4.431 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C1CCC1)C1CCC1 ZINC000557710360 943264926 /nfs/dbraw/zinc/26/49/26/943264926.db2.gz VBYIFBMTONIINO-UHFFFAOYSA-N 0 0 421.335 4.183 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000557710643 943265616 /nfs/dbraw/zinc/26/56/16/943265616.db2.gz FBJVTGLOKDUZDK-KRWDZBQOSA-N 0 0 406.482 4.142 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(-c4ccccc4)cc3F)cc2)c1N ZINC000557728502 943271597 /nfs/dbraw/zinc/27/15/97/943271597.db2.gz OMBIJSYBOOBLRZ-UHFFFAOYSA-N 0 0 411.440 4.062 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000557727893 943271962 /nfs/dbraw/zinc/27/19/62/943271962.db2.gz LZKTXIABYCIXGS-CQSZACIVSA-N 0 0 401.919 4.032 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(SCc2ccc(Br)cc2C#N)n1 ZINC000557758093 943280867 /nfs/dbraw/zinc/28/08/67/943280867.db2.gz WSIRPKXDTDGGSX-UHFFFAOYSA-N 0 0 402.273 4.056 20 30 HIEDRN CN(CCCCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000557808325 943297987 /nfs/dbraw/zinc/29/79/87/943297987.db2.gz MIDNBLDGEPPOCB-UHFFFAOYSA-N 0 0 424.520 4.167 20 30 HIEDRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000557856252 943313862 /nfs/dbraw/zinc/31/38/62/943313862.db2.gz DJJNXFDYTZGBGI-QZTJIDSGSA-N 0 0 418.541 4.409 20 30 HIEDRN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000557856253 943314021 /nfs/dbraw/zinc/31/40/21/943314021.db2.gz DJJNXFDYTZGBGI-ROUUACIJSA-N 0 0 418.541 4.409 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(Br)s1)c1ccccc1 ZINC000557899072 943323290 /nfs/dbraw/zinc/32/32/90/943323290.db2.gz FXKNKQVHFOXINH-INIZCTEOSA-N 0 0 421.360 4.293 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000557899545 943324225 /nfs/dbraw/zinc/32/42/25/943324225.db2.gz JJLGWPNAYPILQZ-HNNXBMFYSA-N 0 0 404.297 4.211 20 30 HIEDRN CCOc1ccc(-c2noc(CCC(=O)N(CCC#N)c3ccc(F)cc3)n2)cc1 ZINC000558052335 943367346 /nfs/dbraw/zinc/36/73/46/943367346.db2.gz UYBPYDCLWISNEK-UHFFFAOYSA-N 0 0 408.433 4.154 20 30 HIEDRN Cc1nn(C)c(C)c1[C@@H](NCc1ccc(Br)cc1C#N)C(F)(F)F ZINC000558104118 943380178 /nfs/dbraw/zinc/38/01/78/943380178.db2.gz RRCWZBCTQTVAEF-OAHLLOKOSA-N 0 0 401.230 4.064 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000558110203 943382747 /nfs/dbraw/zinc/38/27/47/943382747.db2.gz ZINIJSGYDPWVMH-OAQYLSRUSA-N 0 0 410.905 4.227 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000558139384 943394195 /nfs/dbraw/zinc/39/41/95/943394195.db2.gz RIJIGUDPYKDULH-HZPDHXFCSA-N 0 0 412.494 4.108 20 30 HIEDRN N#CCCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1ccc(F)cc1 ZINC000558146155 943395832 /nfs/dbraw/zinc/39/58/32/943395832.db2.gz QWHHRXDNPAIYGW-UHFFFAOYSA-N 0 0 413.250 4.334 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)c1ccccc1Cl ZINC000558153917 943398355 /nfs/dbraw/zinc/39/83/55/943398355.db2.gz DOBVLXXZCYUFHZ-NBHGPNQESA-N 0 0 424.863 4.123 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(NC(=O)Cc3c(F)cccc3C#N)c12 ZINC000558168890 943406922 /nfs/dbraw/zinc/40/69/22/943406922.db2.gz WILOQOMCYXAPJQ-UHFFFAOYSA-N 0 0 413.456 4.288 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)c2cnc(C(C)(C)C)nc2)n(-c2ccc(C#N)cc2)n1 ZINC000558191894 943424947 /nfs/dbraw/zinc/42/49/47/943424947.db2.gz GWVUVPUJHSAENR-UHFFFAOYSA-N 0 0 402.502 4.381 20 30 HIEDRN Cc1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1[N+](=O)[O-] ZINC000558301244 943492676 /nfs/dbraw/zinc/49/26/76/943492676.db2.gz FSFCYSBQYMZVFB-UHFFFAOYSA-N 0 0 407.405 4.348 20 30 HIEDRN CC(=O)Nc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1C ZINC000558305889 943495537 /nfs/dbraw/zinc/49/55/37/943495537.db2.gz MGPBYVVRDNZIIE-UHFFFAOYSA-N 0 0 410.449 4.040 20 30 HIEDRN COc1ccc(Cc2noc(C3(c4cc(F)cc(C#N)c4)CC3)n2)c(Cl)c1OC ZINC000558312382 943499416 /nfs/dbraw/zinc/49/94/16/943499416.db2.gz AITLLHFGTUPSFE-UHFFFAOYSA-N 0 0 413.836 4.422 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000558311588 943499725 /nfs/dbraw/zinc/49/97/25/943499725.db2.gz PGWZHUFDHDRBNP-UHFFFAOYSA-N 0 0 406.433 4.139 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000558325897 943508344 /nfs/dbraw/zinc/50/83/44/943508344.db2.gz XZPJMVGJDAZGKY-LMMKCTJWSA-N 0 0 413.424 4.196 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000558337204 943513911 /nfs/dbraw/zinc/51/39/11/943513911.db2.gz LBZJCPOLUAJALJ-IBGZPJMESA-N 0 0 418.465 4.079 20 30 HIEDRN CN1C(=O)CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000558343688 943518072 /nfs/dbraw/zinc/51/80/72/943518072.db2.gz PKEUEKGKMQVEGF-HSZRJFAPSA-N 0 0 412.449 4.355 20 30 HIEDRN CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000558395822 943546812 /nfs/dbraw/zinc/54/68/12/943546812.db2.gz FULFTXRKTDKBBH-QHCPKHFHSA-N 0 0 413.437 4.318 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000558418169 943554378 /nfs/dbraw/zinc/55/43/78/943554378.db2.gz QPPMDHOKKFHGSL-UHFFFAOYSA-N 0 0 407.518 4.204 20 30 HIEDRN C=CCn1c(-c2ccoc2)nnc1N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000558450190 943561959 /nfs/dbraw/zinc/56/19/59/943561959.db2.gz CDJQFYKHQKPNOA-IAGOWNOFSA-N 0 0 404.392 4.055 20 30 HIEDRN C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(c2nccs2)CC1 ZINC000558451213 943563110 /nfs/dbraw/zinc/56/31/10/943563110.db2.gz WXBFZBCGTVETHU-UHFFFAOYSA-N 0 0 418.929 4.097 20 30 HIEDRN COc1cccc(C2=CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000558460597 943565819 /nfs/dbraw/zinc/56/58/19/943565819.db2.gz OPKQXEUTDJVIMV-UHFFFAOYSA-N 0 0 400.400 4.174 20 30 HIEDRN N#Cc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1F ZINC000558500165 943576961 /nfs/dbraw/zinc/57/69/61/943576961.db2.gz BVBLRFPEPXQHOG-UHFFFAOYSA-N 0 0 418.266 4.287 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)cc1F ZINC000558503222 943577652 /nfs/dbraw/zinc/57/76/52/943577652.db2.gz DIUHZJRMLNFYTD-NRFANRHFSA-N 0 0 416.456 4.277 20 30 HIEDRN COC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000558504748 943578313 /nfs/dbraw/zinc/57/83/13/943578313.db2.gz XYZHJGMIRWLBJB-HXUWFJFHSA-N 0 0 402.454 4.125 20 30 HIEDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[nH]1 ZINC000558511382 943580636 /nfs/dbraw/zinc/58/06/36/943580636.db2.gz NGMJODNPWNIWQK-UONOGXRCSA-N 0 0 405.462 4.260 20 30 HIEDRN Cc1cccc(C2(c3noc(CCC(=O)N(CCC#N)c4ccccc4)n3)CC2)c1 ZINC000558519265 943586540 /nfs/dbraw/zinc/58/65/40/943586540.db2.gz JRSGUWZHIPMDBJ-UHFFFAOYSA-N 0 0 400.482 4.337 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCCC34CCCCC4)cc2)ccn1 ZINC000558535639 943590531 /nfs/dbraw/zinc/59/05/31/943590531.db2.gz BZJCQYXRDMALKZ-UHFFFAOYSA-N 0 0 404.470 4.009 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](Cc3ccccc3)C(F)(F)F)C2)c(F)c1 ZINC000558556380 943596435 /nfs/dbraw/zinc/59/64/35/943596435.db2.gz IAMUSMXOGYCUBP-MSOLQXFVSA-N 0 0 419.422 4.061 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000558559155 943597852 /nfs/dbraw/zinc/59/78/52/943597852.db2.gz GELOBSJHHPIEEW-NRFANRHFSA-N 0 0 413.477 4.007 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000558559156 943598206 /nfs/dbraw/zinc/59/82/06/943598206.db2.gz GELOBSJHHPIEEW-OAQYLSRUSA-N 0 0 413.477 4.007 20 30 HIEDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000558569266 943601535 /nfs/dbraw/zinc/60/15/35/943601535.db2.gz JHOOMTOKFKVHAJ-GFCCVEGCSA-N 0 0 417.712 4.265 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)c1-c1ccccc1 ZINC000558581726 943608519 /nfs/dbraw/zinc/60/85/19/943608519.db2.gz OYXOGQWGIOYOBM-RUZDIDTESA-N 0 0 412.493 4.074 20 30 HIEDRN CCCOc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c(OCCC)c1 ZINC000558594367 943612768 /nfs/dbraw/zinc/61/27/68/943612768.db2.gz WUWDDDQUKWDCNF-UHFFFAOYSA-N 0 0 407.514 4.357 20 30 HIEDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558619867 943619300 /nfs/dbraw/zinc/61/93/00/943619300.db2.gz KJAHJKTYHSWVFR-UHFFFAOYSA-N 0 0 419.529 4.089 20 30 HIEDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(OC)n1 ZINC000558623224 943619925 /nfs/dbraw/zinc/61/99/25/943619925.db2.gz VKBOHCOXJGLRMS-MRXNPFEDSA-N 0 0 416.481 4.198 20 30 HIEDRN C[C@H]1c2c(F)cccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000558638224 943623286 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HIEDRN CCc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)nnn1Cc1ccc(F)cc1 ZINC000558770749 943654274 /nfs/dbraw/zinc/65/42/74/943654274.db2.gz STWGIVSMXMTWOD-IBGZPJMESA-N 0 0 406.465 4.194 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)c2)cc1 ZINC000558775151 943657842 /nfs/dbraw/zinc/65/78/42/943657842.db2.gz JNVWGWKPRKZGJM-PGRDOPGGSA-N 0 0 421.497 4.040 20 30 HIEDRN C=CCC[C@H](Nc1nc(C)c(S(N)(=O)=O)s1)c1ccc(C(F)(F)F)cc1 ZINC000558786006 943662883 /nfs/dbraw/zinc/66/28/83/943662883.db2.gz MLMIAXIIUQAHQK-ZDUSSCGKSA-N 0 0 405.467 4.237 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)c(Cl)c1 ZINC000558838340 943689099 /nfs/dbraw/zinc/68/90/99/943689099.db2.gz IPSRHBUQAHDQAL-UHFFFAOYSA-N 0 0 424.810 4.306 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000558845760 943695147 /nfs/dbraw/zinc/69/51/47/943695147.db2.gz CJGVEQINOGBGMA-UHFFFAOYSA-N 0 0 403.330 4.158 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cc2ccccc2)C1 ZINC000558858920 943703632 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HIEDRN C=C(C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](OC)C1 ZINC000558982806 943785371 /nfs/dbraw/zinc/78/53/71/943785371.db2.gz FJBFDCYAHCXOSD-ZDUSSCGKSA-N 0 0 411.731 4.162 20 30 HIEDRN C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@H](OCCOC)C1 ZINC000558983622 943785504 /nfs/dbraw/zinc/78/55/04/943785504.db2.gz ZFBZTJZMZZZFCE-QFIPXVFZSA-N 0 0 420.557 4.230 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC000558986883 943787979 /nfs/dbraw/zinc/78/79/79/943787979.db2.gz SGSMISFIKNRVPN-UHFFFAOYSA-N 0 0 403.486 4.046 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C)(COC)CC1 ZINC000558986832 943788309 /nfs/dbraw/zinc/78/83/09/943788309.db2.gz QBOSGPMHMVVZIF-UHFFFAOYSA-N 0 0 416.591 4.408 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccccn1 ZINC000558986555 943788613 /nfs/dbraw/zinc/78/86/13/943788613.db2.gz RCURVMQHPYTHPC-UHFFFAOYSA-N 0 0 416.298 4.454 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC000558993724 943792971 /nfs/dbraw/zinc/79/29/71/943792971.db2.gz IIUZHJJABOSIPJ-FQEVSTJZSA-N 0 0 408.502 4.015 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000558994004 943793153 /nfs/dbraw/zinc/79/31/53/943793153.db2.gz AQACPJQDHCTWDP-DYESRHJHSA-N 0 0 419.485 4.396 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000558994012 943793281 /nfs/dbraw/zinc/79/32/81/943793281.db2.gz AQACPJQDHCTWDP-UWJYYQICSA-N 0 0 419.485 4.396 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000558994823 943793418 /nfs/dbraw/zinc/79/34/18/943793418.db2.gz LLUISNYLVJOSGD-GOSISDBHSA-N 0 0 416.428 4.294 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC(CC#N)CC1 ZINC000558995444 943793923 /nfs/dbraw/zinc/79/39/23/943793923.db2.gz CSOCJWFNYQJVTJ-UHFFFAOYSA-N 0 0 409.534 4.449 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000558997057 943795426 /nfs/dbraw/zinc/79/54/26/943795426.db2.gz DFWOHXQOZWUJDZ-GOSISDBHSA-N 0 0 421.545 4.232 20 30 HIEDRN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000558997360 943795592 /nfs/dbraw/zinc/79/55/92/943795592.db2.gz OBDFMTDBRGIDDP-SFHVURJKSA-N 0 0 419.367 4.393 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(F)(F)F ZINC000558999702 943796626 /nfs/dbraw/zinc/79/66/26/943796626.db2.gz MTUIXQVMCSWDHC-UHFFFAOYSA-N 0 0 423.366 4.133 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(c2ccccc2)C1 ZINC000559000215 943797707 /nfs/dbraw/zinc/79/77/07/943797707.db2.gz CBZWRZUCEKSOKM-HSZRJFAPSA-N 0 0 421.570 4.014 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(c2cccc3ccccc32)CC1 ZINC000559002788 943798343 /nfs/dbraw/zinc/79/83/43/943798343.db2.gz ZXVJKCQOZDIMHH-QHCPKHFHSA-N 0 0 418.541 4.479 20 30 HIEDRN C=C(C)Cn1c(CCCC)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000559006211 943800513 /nfs/dbraw/zinc/80/05/13/943800513.db2.gz IZJVKWRUKCRFFS-SFHVURJKSA-N 0 0 406.477 4.376 20 30 HIEDRN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC000559006253 943800556 /nfs/dbraw/zinc/80/05/56/943800556.db2.gz KXUWFIBHPHUKIU-HXUWFJFHSA-N 0 0 420.561 4.168 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000559005639 943800692 /nfs/dbraw/zinc/80/06/92/943800692.db2.gz RHGQEFWTGJOPJL-IRXDYDNUSA-N 0 0 413.591 4.077 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[C@@H](OCCOC)C1 ZINC000559005776 943800734 /nfs/dbraw/zinc/80/07/34/943800734.db2.gz XGIKCEIBOXEUDR-OAHLLOKOSA-N 0 0 411.333 4.070 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000559008900 943802220 /nfs/dbraw/zinc/80/22/20/943802220.db2.gz GUCKBRGXSIBPAM-SFHVURJKSA-N 0 0 405.477 4.155 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC000559008852 943802380 /nfs/dbraw/zinc/80/23/80/943802380.db2.gz HIVLBENRLVQDOD-UHFFFAOYSA-N 0 0 423.524 4.201 20 30 HIEDRN C=CCCCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CC(=C)C ZINC000559010190 943803116 /nfs/dbraw/zinc/80/31/16/943803116.db2.gz AFYKMVRPCSFDBQ-UHFFFAOYSA-N 0 0 406.534 4.044 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)Cc1ccc(Br)s1 ZINC000559011250 943803331 /nfs/dbraw/zinc/80/33/31/943803331.db2.gz WLDCAIZLUYHBLX-SWLSCSKDSA-N 0 0 411.369 4.412 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1-c1ccccc1 ZINC000559023827 943808298 /nfs/dbraw/zinc/80/82/98/943808298.db2.gz VNVVLFPXCQERRJ-UHFFFAOYSA-N 0 0 415.541 4.394 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000559037551 943811897 /nfs/dbraw/zinc/81/18/97/943811897.db2.gz MMNLDBHBQCZYFP-MRXNPFEDSA-N 0 0 407.440 4.022 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC[C@H](c4ccc(F)cc4)C3)n2C[C@@H]2CCCO2)cc1 ZINC000559098670 943838346 /nfs/dbraw/zinc/83/83/46/943838346.db2.gz YXHJUMDQIZWARE-UNMCSNQZSA-N 0 0 417.488 4.129 20 30 HIEDRN Cc1cc(C)cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)c1 ZINC000559113967 943844858 /nfs/dbraw/zinc/84/48/58/943844858.db2.gz LGQAQMAPWUEHAA-QFIPXVFZSA-N 0 0 401.514 4.249 20 30 HIEDRN Cc1ccc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)C2)cc1 ZINC000559118403 943846286 /nfs/dbraw/zinc/84/62/86/943846286.db2.gz GLRABFPBSBXMTF-PKTZIBPZSA-N 0 0 413.525 4.298 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2Cc2cccs2)cc1 ZINC000559170416 943860561 /nfs/dbraw/zinc/86/05/61/943860561.db2.gz WXDTXGRALSUORY-HXUWFJFHSA-N 0 0 419.554 4.322 20 30 HIEDRN C=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000559187178 943865688 /nfs/dbraw/zinc/86/56/88/943865688.db2.gz XDPZCXVYOUQGRC-IBGZPJMESA-N 0 0 402.926 4.236 20 30 HIEDRN C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1(C)C ZINC000559194691 943868753 /nfs/dbraw/zinc/86/87/53/943868753.db2.gz QKDRWZDJFAHXBF-RXVVDRJESA-N 0 0 423.561 4.170 20 30 HIEDRN COC(=O)c1sc2cccc(F)c2c1CN1CCCN(c2ccccc2C#N)CC1 ZINC000559203976 943871424 /nfs/dbraw/zinc/87/14/24/943871424.db2.gz MZMCBKQGQBXJKI-UHFFFAOYSA-N 0 0 423.513 4.411 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC[C@H](c4ccccc4)C3)n2C[C@H]2CCCCO2)cc1 ZINC000559213376 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HIEDRN Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)NC[C@@H](C)C#N ZINC000561604270 944702319 /nfs/dbraw/zinc/70/23/19/944702319.db2.gz MXVMJLLCDNMVHR-CMPLNLGQSA-N 0 0 407.337 4.401 20 30 HIEDRN C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nccn1-c1ccccc1 ZINC000561644090 944724849 /nfs/dbraw/zinc/72/48/49/944724849.db2.gz PQMVMVRWBQKQIR-KRWDZBQOSA-N 0 0 409.449 4.422 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cc(F)ccc1SC ZINC000561648749 944727634 /nfs/dbraw/zinc/72/76/34/944727634.db2.gz ZWNFPPUOUQGQMY-UHFFFAOYSA-N 0 0 412.939 4.094 20 30 HIEDRN C=CCn1c(SCC(=O)NCCSC(C)C)nnc1-c1ccc(Cl)cc1 ZINC000561658478 944734197 /nfs/dbraw/zinc/73/41/97/944734197.db2.gz QPMRVPVKJYBTRH-UHFFFAOYSA-N 0 0 410.996 4.134 20 30 HIEDRN C[C@@H](OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1nccn1C ZINC000561678706 944743151 /nfs/dbraw/zinc/74/31/51/944743151.db2.gz SOTGLNXRJZZVLM-KGLIPLIRSA-N 0 0 400.548 4.221 20 30 HIEDRN C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000561730129 944766861 /nfs/dbraw/zinc/76/68/61/944766861.db2.gz YGQPOSNRUBFQHU-ZDUSSCGKSA-N 0 0 401.404 4.371 20 30 HIEDRN Cc1csc2nc(CSCc3ccc(Br)cc3C#N)cc(=O)n12 ZINC000561733441 944769863 /nfs/dbraw/zinc/76/98/63/944769863.db2.gz UBOCCWJFVBNCJQ-UHFFFAOYSA-N 0 0 406.330 4.132 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)o1 ZINC000561756331 944781062 /nfs/dbraw/zinc/78/10/62/944781062.db2.gz WBBOKURGUMDDBT-UHFFFAOYSA-N 0 0 403.413 4.323 20 30 HIEDRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000561776202 944792869 /nfs/dbraw/zinc/79/28/69/944792869.db2.gz IFGHLMNRSGCRJH-UHFFFAOYSA-N 0 0 415.277 4.211 20 30 HIEDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000561830814 944814312 /nfs/dbraw/zinc/81/43/12/944814312.db2.gz GMPZAAQHFBWCMI-JOCHJYFZSA-N 0 0 421.541 4.207 20 30 HIEDRN CC[C@H](CSC)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561839827 944817928 /nfs/dbraw/zinc/81/79/28/944817928.db2.gz IQDFLSSZKYPKNR-HRAATJIYSA-N 0 0 409.555 4.002 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000561875986 944832083 /nfs/dbraw/zinc/83/20/83/944832083.db2.gz VCHPQCIBPPODOA-HXUWFJFHSA-N 0 0 418.440 4.136 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)N(C)CCOCc3ccc(C#N)cc3)cc2)c(C)c1Cl ZINC000561877633 944833396 /nfs/dbraw/zinc/83/33/96/944833396.db2.gz HDRVUEOVHMMPTE-UHFFFAOYSA-N 0 0 422.916 4.303 20 30 HIEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC000562022462 944898012 /nfs/dbraw/zinc/89/80/12/944898012.db2.gz KYRMLWNXSKMEII-KRWDZBQOSA-N 0 0 408.424 4.145 20 30 HIEDRN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000562024556 944899260 /nfs/dbraw/zinc/89/92/60/944899260.db2.gz LAEHXGWEGVPRSC-STEAMIEHSA-N 0 0 402.926 4.181 20 30 HIEDRN C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1Cc1ccccc1OC ZINC000562024246 944899287 /nfs/dbraw/zinc/89/92/87/944899287.db2.gz GNJPPWRLHLLPLH-OAQYLSRUSA-N 0 0 418.541 4.284 20 30 HIEDRN C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(CCC)CC1CC1 ZINC000562030224 944902172 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C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(Cl)ccc1OC(C)C ZINC000562126323 944957510 /nfs/dbraw/zinc/95/75/10/944957510.db2.gz YWILRKLHCXOHGX-UHFFFAOYSA-N 0 0 404.869 4.420 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1C#N ZINC000562184067 945007194 /nfs/dbraw/zinc/00/71/94/945007194.db2.gz XBHWDUNFCJEGLF-UHFFFAOYSA-N 0 0 404.495 4.078 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000562197804 945015666 /nfs/dbraw/zinc/01/56/66/945015666.db2.gz ZVSAXWGEYKKITG-UHFFFAOYSA-N 0 0 424.549 4.166 20 30 HIEDRN N#Cc1cc(Oc2ccc(NCc3nc(-c4ccc5c(c4)OCO5)no3)cc2)ccn1 ZINC000562231181 945033506 /nfs/dbraw/zinc/03/35/06/945033506.db2.gz KNKILGRMLYLCPR-UHFFFAOYSA-N 0 0 413.393 4.136 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000562234134 945035804 /nfs/dbraw/zinc/03/58/04/945035804.db2.gz OLQRVSCRJWNORC-MRXNPFEDSA-N 0 0 403.461 4.284 20 30 HIEDRN N#Cc1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1Br ZINC000562295001 945055534 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C[C@@H](NC(=O)Cc1noc(-c2cn(CCCC#N)c3ccccc23)n1)c1ccccc1 ZINC000564273642 945487214 /nfs/dbraw/zinc/48/72/14/945487214.db2.gz XODKVPDIHSSJBH-QGZVFWFLSA-N 0 0 413.481 4.415 20 30 HIEDRN COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000564369797 945535818 /nfs/dbraw/zinc/53/58/18/945535818.db2.gz LJVAQDOIXURMEM-QGZVFWFLSA-N 0 0 406.507 4.414 20 30 HIEDRN CC(C)OCc1nc([C@H](C)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)no1 ZINC000564414076 945566594 /nfs/dbraw/zinc/56/65/94/945566594.db2.gz GFTMKBOFBOOOLX-KBPBESRZSA-N 0 0 403.508 4.272 20 30 HIEDRN CCc1nnc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 ZINC000564415087 945567324 /nfs/dbraw/zinc/56/73/24/945567324.db2.gz NFIHCQIMAYMHNM-UHFFFAOYSA-N 0 0 411.462 4.012 20 30 HIEDRN CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000564432619 945580422 /nfs/dbraw/zinc/58/04/22/945580422.db2.gz VOAKIWWVLSZYDF-FQEVSTJZSA-N 0 0 416.437 4.049 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000564477569 945611859 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CO[C@]1(C)CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000564789884 945759222 /nfs/dbraw/zinc/75/92/22/945759222.db2.gz PHXYWEDAUQGECC-JOCHJYFZSA-N 0 0 403.954 4.236 20 30 HIEDRN N#Cc1cc(F)cc(C2(c3nc(-c4ccc(OC5CCOCC5)cc4)no3)CC2)c1 ZINC000565268721 945797920 /nfs/dbraw/zinc/79/79/20/945797920.db2.gz BWSLUTFKOVJBFH-UHFFFAOYSA-N 0 0 405.429 4.385 20 30 HIEDRN CN(Cc1nccn1CC(F)(F)F)C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000565276222 945801371 /nfs/dbraw/zinc/80/13/71/945801371.db2.gz NXODQJBXKDLTAM-UHFFFAOYSA-N 0 0 401.257 4.015 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)c2)cc1 ZINC000565329957 945812614 /nfs/dbraw/zinc/81/26/14/945812614.db2.gz KFPJOCBMPVAVRT-YADHBBJMSA-N 0 0 415.424 4.100 20 30 HIEDRN C=CCn1c(Cc2ccccn2)nnc1N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000565333322 945813620 /nfs/dbraw/zinc/81/36/20/945813620.db2.gz XUOKPVJKQGCEMI-UHFFFAOYSA-N 0 0 400.313 4.319 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)C2)c(F)c1 ZINC000565379747 945820715 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N#Cc1cccc(OCc2cccc(C(=O)NCCc3cnn(-c4ccccc4)c3)c2)c1 ZINC000303661302 855114400 /nfs/dbraw/zinc/11/44/00/855114400.db2.gz WMBQWZLPQXGYMJ-UHFFFAOYSA-N 0 0 422.488 4.295 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000303665093 855117038 /nfs/dbraw/zinc/11/70/38/855117038.db2.gz WCCRZSVRWCVTFS-ZDUSSCGKSA-N 0 0 400.360 4.169 20 30 HIEDRN C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2n1C ZINC000303669123 855120675 /nfs/dbraw/zinc/12/06/75/855120675.db2.gz FWRFDOVLSOLQPS-HNNXBMFYSA-N 0 0 400.438 4.108 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000303691246 855136454 /nfs/dbraw/zinc/13/64/54/855136454.db2.gz PSHVPSKLQMRJBF-UHFFFAOYSA-N 0 0 421.385 4.367 20 30 HIEDRN Cc1sc2ncnc(N3CCC(C(=O)N[C@@]4(C#N)CCC[C@H](C)C4)CC3)c2c1C ZINC000303692852 855136477 /nfs/dbraw/zinc/13/64/77/855136477.db2.gz VUIPHRMYANPOJY-FPTDNZKUSA-N 0 0 411.575 4.113 20 30 HIEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)C1 ZINC000303715624 855148054 /nfs/dbraw/zinc/14/80/54/855148054.db2.gz ZVOSUOGDIMUDLH-HOYKHHGWSA-N 0 0 402.498 4.204 20 30 HIEDRN CCCc1[nH]nc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1[N+](=O)[O-] ZINC000303752539 855173380 /nfs/dbraw/zinc/17/33/80/855173380.db2.gz MEGKDLRRRYJMBP-UHFFFAOYSA-N 0 0 419.441 4.282 20 30 HIEDRN CCO[C@H](C)c1nc(CON=C(N)c2cccc(OCc3cccnc3)c2)cs1 ZINC000303773274 855189593 /nfs/dbraw/zinc/18/95/93/855189593.db2.gz JPZQRWORPXHOAS-OAHLLOKOSA-N 0 0 412.515 4.052 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000303773949 855189835 /nfs/dbraw/zinc/18/98/35/855189835.db2.gz RFCUCNOIQKKQHS-UYAOXDASSA-N 0 0 407.489 4.056 20 30 HIEDRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000303838518 855236386 /nfs/dbraw/zinc/23/63/86/855236386.db2.gz LQHXIQWAWLLKQC-LAUBAEHRSA-N 0 0 415.459 4.121 20 30 HIEDRN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000303859526 855254647 /nfs/dbraw/zinc/25/46/47/855254647.db2.gz GGGVPPLSRWVFAI-XOBRGWDASA-N 0 0 401.869 4.141 20 30 HIEDRN CCc1nc(C)c([C@H](C)N(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303861745 855256993 /nfs/dbraw/zinc/25/69/93/855256993.db2.gz GROPVAQJQPRFHK-HNNXBMFYSA-N 0 0 423.504 4.193 20 30 HIEDRN C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccc(F)cc2)O1 ZINC000303883728 855268394 /nfs/dbraw/zinc/26/83/94/855268394.db2.gz JKBLISZCHUZCCI-AUUYWEPGSA-N 0 0 413.518 4.038 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000303896588 855275678 /nfs/dbraw/zinc/27/56/78/855275678.db2.gz QCNHIIVLZNHREU-IRXDYDNUSA-N 0 0 404.388 4.243 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000303918193 855289687 /nfs/dbraw/zinc/28/96/87/855289687.db2.gz SWBXBIPKTUMESG-MRXNPFEDSA-N 0 0 411.999 4.384 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000303964010 855326030 /nfs/dbraw/zinc/32/60/30/855326030.db2.gz OZUNNZFNQZVDEW-YADARESESA-N 0 0 422.525 4.331 20 30 HIEDRN C=CCC(C)(C)CNC(=O)c1cc(Br)ccc1I ZINC000310847000 855367334 /nfs/dbraw/zinc/36/73/34/855367334.db2.gz LQJOGCNPHGCBJU-UHFFFAOYSA-N 0 0 422.104 4.386 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2cc(C)cc(Br)c2)c(C#N)c1C ZINC000325653139 855404414 /nfs/dbraw/zinc/40/44/14/855404414.db2.gz HVVNETJCPRTDRP-UHFFFAOYSA-N 0 0 407.289 4.428 20 30 HIEDRN N#CCCN(C(=O)c1cccc(Br)c1Cl)c1ccc2c(c1)OCCO2 ZINC000328246633 855423083 /nfs/dbraw/zinc/42/30/83/855423083.db2.gz BDTOOHSHDCJXAI-UHFFFAOYSA-N 0 0 421.678 4.434 20 30 HIEDRN C=CCC(C)(C)CNC(=O)c1cc(I)ccc1Br ZINC000386451966 855443826 /nfs/dbraw/zinc/44/38/26/855443826.db2.gz DRZNUGZFRUHKOE-UHFFFAOYSA-N 0 0 422.104 4.386 20 30 HIEDRN C#CCOc1ccc(Br)cc1CNc1cc(C(=O)NC)ccc1Cl ZINC000391803040 855461265 /nfs/dbraw/zinc/46/12/65/855461265.db2.gz AEAHEYMOKFXRSX-UHFFFAOYSA-N 0 0 407.695 4.086 20 30 HIEDRN CC(C)[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000409475458 855499475 /nfs/dbraw/zinc/49/94/75/855499475.db2.gz OBEZAZHEMNGCIF-JOCHJYFZSA-N 0 0 422.504 4.455 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)n2)c1 ZINC000409484189 855504148 /nfs/dbraw/zinc/50/41/48/855504148.db2.gz FUPPSPOTKLBTNB-UHFFFAOYSA-N 0 0 408.465 4.196 20 30 HIEDRN Cc1cc(C)c(CCNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000409520440 855520889 /nfs/dbraw/zinc/52/08/89/855520889.db2.gz JKKMVPFERSRGLY-UHFFFAOYSA-N 0 0 418.541 4.086 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000409522417 855521758 /nfs/dbraw/zinc/52/17/58/855521758.db2.gz PCCQHAAOQFBKNR-LBPRGKRZSA-N 0 0 409.303 4.089 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000409533841 855528774 /nfs/dbraw/zinc/52/87/74/855528774.db2.gz HVNAOUNEQINZSD-RVSPLBMKSA-N 0 0 405.281 4.495 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000409534277 855528828 /nfs/dbraw/zinc/52/88/28/855528828.db2.gz ZVYMVBWLNMIPEM-LLVKDONJSA-N 0 0 402.145 4.419 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC000409541243 855532965 /nfs/dbraw/zinc/53/29/65/855532965.db2.gz PQACFLFVHKNTFP-CGTJXYLNSA-N 0 0 404.388 4.207 20 30 HIEDRN CCN([C@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409557154 855540037 /nfs/dbraw/zinc/54/00/37/855540037.db2.gz KSOTYHOCMWQCDQ-CYBMUJFWSA-N 0 0 412.433 4.357 20 30 HIEDRN CC(C)N(Cc1ccc(-c2ccccc2F)s1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409570847 855544988 /nfs/dbraw/zinc/54/49/88/855544988.db2.gz RGOYLHGVRHRQNZ-OAHLLOKOSA-N 0 0 409.552 4.101 20 30 HIEDRN CCCCn1c(C)c(C)nc1SCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000409577666 855549733 /nfs/dbraw/zinc/54/97/33/855549733.db2.gz QWYFQYYDLSITAJ-UHFFFAOYSA-N 0 0 408.531 4.088 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccncc2)ccc1C(F)(F)F ZINC000409579807 855551403 /nfs/dbraw/zinc/55/14/03/855551403.db2.gz DKZUPXBJPBBXKO-LJQANCHMSA-N 0 0 417.412 4.040 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N(Cc3cccc(Br)c3)C3CC3)n2)c1 ZINC000409587900 855554658 /nfs/dbraw/zinc/55/46/58/855554658.db2.gz SFFZORPHUZCMQG-UHFFFAOYSA-N 0 0 421.298 4.311 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000437381215 862693010 /nfs/dbraw/zinc/69/30/10/862693010.db2.gz QLYNZTWMRMEBEY-HNNXBMFYSA-N 0 0 424.526 4.397 20 30 HIEDRN CCOc1cccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000409606495 855562237 /nfs/dbraw/zinc/56/22/37/855562237.db2.gz ACGPDIKRKIIWRX-KRWDZBQOSA-N 0 0 420.513 4.078 20 30 HIEDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000409656590 855586909 /nfs/dbraw/zinc/58/69/09/855586909.db2.gz NTPOVSLPBLTYAU-UHFFFAOYSA-N 0 0 402.498 4.073 20 30 HIEDRN CCn1c(Sc2ccc(C(F)(F)F)c(C#N)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000409710904 855615169 /nfs/dbraw/zinc/61/51/69/855615169.db2.gz IIRPKDOOEUEGHQ-UHFFFAOYSA-N 0 0 420.376 4.310 20 30 HIEDRN C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000409712264 855616042 /nfs/dbraw/zinc/61/60/42/855616042.db2.gz NXJCYUDXXDWSLU-JLTOFOAXSA-N 0 0 405.420 4.709 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409747998 855633926 /nfs/dbraw/zinc/63/39/26/855633926.db2.gz FNNCYXIGCCQMAQ-MOPGFXCFSA-N 0 0 410.315 4.174 20 30 HIEDRN C=CCN(C(=O)CSc1ccc2c(c1)CCC2)c1nc(C(=O)OCC)cs1 ZINC000409814918 855668398 /nfs/dbraw/zinc/66/83/98/855668398.db2.gz IBPQCRLWHAIDSK-UHFFFAOYSA-N 0 0 402.541 4.120 20 30 HIEDRN C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000409836117 855679473 /nfs/dbraw/zinc/67/94/73/855679473.db2.gz ZOAZUONSJONAJP-HNNXBMFYSA-N 0 0 404.445 4.163 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C2(c3cncc(Br)c3)CC2)cc1C#N ZINC000409840391 855681135 /nfs/dbraw/zinc/68/11/35/855681135.db2.gz SPBGXMDPEBFECT-UHFFFAOYSA-N 0 0 400.276 4.173 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)n2)c1 ZINC000409903407 855714964 /nfs/dbraw/zinc/71/49/64/855714964.db2.gz PPHHJLSIYBXQMM-UHFFFAOYSA-N 0 0 403.445 4.213 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)CN3CCCCCC3=O)cc2Cl)c1 ZINC000409925368 855727141 /nfs/dbraw/zinc/72/71/41/855727141.db2.gz WZJNTZMLJSWMDS-UHFFFAOYSA-N 0 0 411.889 4.132 20 30 HIEDRN C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC000409930601 855730051 /nfs/dbraw/zinc/73/00/51/855730051.db2.gz OCVSQYHXMAITND-GFCCVEGCSA-N 0 0 402.351 4.644 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](O)Cc1ccccc1 ZINC000437388836 862714497 /nfs/dbraw/zinc/71/44/97/862714497.db2.gz CFVCOQZYZJIVCQ-VGOFRKELSA-N 0 0 401.466 4.464 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cnccc3Oc3ccccc3)CC2)c(Cl)c1 ZINC000409957754 855744818 /nfs/dbraw/zinc/74/48/18/855744818.db2.gz HHUWADNZCWAVCG-UHFFFAOYSA-N 0 0 418.884 4.361 20 30 HIEDRN C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccc(Br)s1 ZINC000409975568 855756290 /nfs/dbraw/zinc/75/62/90/855756290.db2.gz GIEDDKVJIKJGBK-NSHDSACASA-N 0 0 401.289 4.059 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3ccnc(Oc4ccccc4F)c3)n2)c1 ZINC000409997574 855770158 /nfs/dbraw/zinc/77/01/58/855770158.db2.gz JCKURVFJWUZYAK-UHFFFAOYSA-N 0 0 413.412 4.000 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)Cc1c(F)ccc(Br)c1F ZINC000410002117 855773160 /nfs/dbraw/zinc/77/31/60/855773160.db2.gz XSGPMNPLXROHSG-UHFFFAOYSA-N 0 0 419.229 4.150 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000410049458 855799715 /nfs/dbraw/zinc/79/97/15/855799715.db2.gz ZFQRNIVYOMKFHS-UHFFFAOYSA-N 0 0 410.562 4.433 20 30 HIEDRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000410050782 855800412 /nfs/dbraw/zinc/80/04/12/855800412.db2.gz DQCJNSCFEDGTQG-MRXNPFEDSA-N 0 0 418.449 4.210 20 30 HIEDRN C=CC[C@H](CO)NC(=O)c1ccc(C)c(OCc2csc(Br)c2)c1 ZINC000410066859 855806693 /nfs/dbraw/zinc/80/66/93/855806693.db2.gz GCWUBDUKFRZSMW-OAHLLOKOSA-N 0 0 410.333 4.065 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000437392751 862722556 /nfs/dbraw/zinc/72/25/56/862722556.db2.gz OSCBJGPUQDGYAH-NSHDSACASA-N 0 0 422.963 4.203 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)C1=O ZINC000410116892 855827697 /nfs/dbraw/zinc/82/76/97/855827697.db2.gz HHHKICSRSDKNLG-QFIPXVFZSA-N 0 0 419.500 4.152 20 30 HIEDRN N#Cc1ccc(CC(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000410169494 855848252 /nfs/dbraw/zinc/84/82/52/855848252.db2.gz TYYHLMUSVZFVEC-UHFFFAOYSA-N 0 0 406.379 4.487 20 30 HIEDRN CCS(=O)(=O)c1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000410223448 855868123 /nfs/dbraw/zinc/86/81/23/855868123.db2.gz DJKKIWNEONULIX-UHFFFAOYSA-N 0 0 420.490 4.074 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCOc4c(Br)cccc43)on2)c1 ZINC000410279174 855898465 /nfs/dbraw/zinc/89/84/65/855898465.db2.gz LNGKCHDHEODXMZ-INIZCTEOSA-N 0 0 424.254 4.229 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000410292034 855908589 /nfs/dbraw/zinc/90/85/89/855908589.db2.gz VYCJQQMBTNLGAA-AWEZNQCLSA-N 0 0 403.511 4.243 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000410328632 855931011 /nfs/dbraw/zinc/93/10/11/855931011.db2.gz OQQLPUCNTCIFIE-UHFFFAOYSA-N 0 0 403.413 4.087 20 30 HIEDRN Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000410328910 855931387 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N#Cc1ncn(-c2ccccc2NC(=O)c2cn(Cc3ccccc3)c3ccccc23)n1 ZINC000426819253 856496268 /nfs/dbraw/zinc/49/62/68/856496268.db2.gz HQCXOODTIBEPCZ-UHFFFAOYSA-N 0 0 418.460 4.394 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)C2)n1 ZINC000426885036 856527123 /nfs/dbraw/zinc/52/71/23/856527123.db2.gz XXLIRMGPRGGBLL-BHDDXSALSA-N 0 0 422.573 4.009 20 30 HIEDRN CCS[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426941776 856553545 /nfs/dbraw/zinc/55/35/45/856553545.db2.gz FKIBDXCJLPWDJZ-PXNSSMCTSA-N 0 0 423.538 4.470 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000426998226 856587543 /nfs/dbraw/zinc/58/75/43/856587543.db2.gz FEMAGZMYFOOMKI-UHFFFAOYSA-N 0 0 423.400 4.147 20 30 HIEDRN N#C[C@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000427005018 856590272 /nfs/dbraw/zinc/59/02/72/856590272.db2.gz NNAFGIQOQCXALH-JKSUJKDBSA-N 0 0 416.321 4.009 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(CCCCO)C3CC3)sc2C1 ZINC000427007331 856591999 /nfs/dbraw/zinc/59/19/99/856591999.db2.gz GVOUYWUMJJNNSG-MRXNPFEDSA-N 0 0 417.619 4.336 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)ccc1F ZINC000427018454 856598215 /nfs/dbraw/zinc/59/82/15/856598215.db2.gz ZFZWVKACLBCXOC-UHFFFAOYSA-N 0 0 417.843 4.057 20 30 HIEDRN C=CCC[C@@H](C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427153461 856673107 /nfs/dbraw/zinc/67/31/07/856673107.db2.gz RJAMEIWWUDHGDK-NTKDMRAZSA-N 0 0 408.542 4.396 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)n1 ZINC000427189974 856701443 /nfs/dbraw/zinc/70/14/43/856701443.db2.gz SABBQMVFNGSYDE-LBPRGKRZSA-N 0 0 410.455 4.042 20 30 HIEDRN CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437464351 862826877 /nfs/dbraw/zinc/82/68/77/862826877.db2.gz CFSHZIDRJYQIKH-KRWDZBQOSA-N 0 0 415.490 4.076 20 30 HIEDRN C=CC[C@@H](C(=O)N1CCN(Cc2csc([C@H](C)OCC)n2)CC1)c1ccccc1 ZINC000427229392 856724659 /nfs/dbraw/zinc/72/46/59/856724659.db2.gz IDIITQTUXWYBRK-GHTZIAJQSA-N 0 0 413.587 4.245 20 30 HIEDRN COc1ccc(CN(C)C(=O)c2cccc(COc3ccccc3C#N)c2)cc1O ZINC000427237984 856730474 /nfs/dbraw/zinc/73/04/74/856730474.db2.gz HCWDGDJBKLXHNR-UHFFFAOYSA-N 0 0 402.450 4.124 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2cc(F)c(OC(F)F)cc2F)cc1C(F)(F)F ZINC000427241890 856733340 /nfs/dbraw/zinc/73/33/40/856733340.db2.gz GATWURAFZDOKBJ-UHFFFAOYSA-N 0 0 424.272 4.471 20 30 HIEDRN C=CC[C@@H](C(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000427251890 856736680 /nfs/dbraw/zinc/73/66/80/856736680.db2.gz URDHAQNDMAZKJA-UYAOXDASSA-N 0 0 407.432 4.263 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000427255608 856739443 /nfs/dbraw/zinc/73/94/43/856739443.db2.gz GRTLDTCWEYNMAM-UHFFFAOYSA-N 0 0 420.947 4.017 20 30 HIEDRN C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1 ZINC000427257440 856740544 /nfs/dbraw/zinc/74/05/44/856740544.db2.gz QZIDWKWKFTWWBF-QHCPKHFHSA-N 0 0 420.534 4.464 20 30 HIEDRN O=C(Cn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21)c1ccc(F)cc1 ZINC000427270373 856745440 /nfs/dbraw/zinc/74/54/40/856745440.db2.gz SZSLSNCJSXBZJB-UHFFFAOYSA-N 0 0 418.268 4.456 20 30 HIEDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437472495 862834208 /nfs/dbraw/zinc/83/42/08/862834208.db2.gz MRUIPYOFQDMOQK-LJQANCHMSA-N 0 0 409.461 4.465 20 30 HIEDRN CCNC(=O)NC1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCCC1 ZINC000437474942 862835046 /nfs/dbraw/zinc/83/50/46/862835046.db2.gz RTNBVMNTJYXRGN-UHFFFAOYSA-N 0 0 410.449 4.060 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CN2Cc3ccccc3C2=O)cc1F ZINC000437473311 862835374 /nfs/dbraw/zinc/83/53/74/862835374.db2.gz LTYIRDVYKNDXHN-UHFFFAOYSA-N 0 0 401.397 4.084 20 30 HIEDRN CCc1c(C(=O)N[C@H](C#N)c2cccc(Br)c2)cnn1CCC(C)C ZINC000427369227 856798838 /nfs/dbraw/zinc/79/88/38/856798838.db2.gz DNTRDSPOFXJPKM-QGZVFWFLSA-N 0 0 403.324 4.249 20 30 HIEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000427401639 856806635 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HIEDRN Cc1cc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)ccc1Oc1ccncc1 ZINC000427559160 856865999 /nfs/dbraw/zinc/86/59/99/856865999.db2.gz KHMIRTUUUKGBHW-OAQYLSRUSA-N 0 0 414.465 4.282 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)cc1F ZINC000437491974 862848728 /nfs/dbraw/zinc/84/87/28/862848728.db2.gz BEKYQZICLAURJJ-CYBMUJFWSA-N 0 0 401.463 4.196 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1F ZINC000437491976 862849097 /nfs/dbraw/zinc/84/90/97/862849097.db2.gz BEKYQZICLAURJJ-ZDUSSCGKSA-N 0 0 401.463 4.196 20 30 HIEDRN Cc1ncc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C)C2CC2)cc1C#N ZINC000427767891 856946631 /nfs/dbraw/zinc/94/66/31/856946631.db2.gz QNCYRLUOHOHHFM-ZDUSSCGKSA-N 0 0 409.433 4.274 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1F ZINC000427792744 856956395 /nfs/dbraw/zinc/95/63/95/856956395.db2.gz AJJJEBOIFWKAKD-UHFFFAOYSA-N 0 0 423.185 4.279 20 30 HIEDRN N#Cc1ccc([C@@H](NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)C(N)=O)cc1 ZINC000427817114 856968791 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C=CCN(C(=O)c1ccc2ccc(Cl)cc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000437563177 862887327 /nfs/dbraw/zinc/88/73/27/862887327.db2.gz ZMSJBQCBJNTQHH-HNNXBMFYSA-N 0 0 418.888 4.253 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCC(OCC3CCCC3)CC2)c1-c1ccccc1 ZINC000428515683 857235310 /nfs/dbraw/zinc/23/53/10/857235310.db2.gz KQYWDODGNDXIGZ-UHFFFAOYSA-N 0 0 406.530 4.275 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)c1cc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000437568069 862890061 /nfs/dbraw/zinc/89/00/61/862890061.db2.gz MPBCICNCHLMSPN-MGPUTAFESA-N 0 0 410.543 4.003 20 30 HIEDRN COc1ccc([C@H](C)CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428625551 857282362 /nfs/dbraw/zinc/28/23/62/857282362.db2.gz PEPUHLVPECAVFE-GOSISDBHSA-N 0 0 402.498 4.396 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CCC[C@H]1CCO ZINC000428627803 857283175 /nfs/dbraw/zinc/28/31/75/857283175.db2.gz JMZOPTRKJAHQTQ-SFHVURJKSA-N 0 0 413.543 4.012 20 30 HIEDRN CCc1nnc(-c2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc2)o1 ZINC000428640014 857285736 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C[C@@H](O)CNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000429603379 857785842 /nfs/dbraw/zinc/78/58/42/857785842.db2.gz SDBZEPQGPGEJDJ-LDWIPMOCSA-N 0 0 412.252 4.008 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(NC(=O)c4cccs4)c3)nc21 ZINC000429602928 857786012 /nfs/dbraw/zinc/78/60/12/857786012.db2.gz ZOCPUQOQJOJTBE-HNNXBMFYSA-N 0 0 401.451 4.070 20 30 HIEDRN N#Cc1ccc(CN2CCN(c3cncc4ccccc43)CC2)c(Br)c1 ZINC000429637676 857812757 /nfs/dbraw/zinc/81/27/57/857812757.db2.gz SRLLBBQATKMQSZ-UHFFFAOYSA-N 0 0 407.315 4.191 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000429731058 857854902 /nfs/dbraw/zinc/85/49/02/857854902.db2.gz IYXXFQFNMQNSTH-UHFFFAOYSA-N 0 0 424.302 4.229 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)CCCNC(=O)C1CCC1 ZINC000429736089 857858571 /nfs/dbraw/zinc/85/85/71/857858571.db2.gz HRZRDWGCRITBQE-UHFFFAOYSA-N 0 0 420.513 4.429 20 30 HIEDRN CCc1nc(CN2CCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)cs1 ZINC000429813564 857893868 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858094782 /nfs/dbraw/zinc/09/47/82/858094782.db2.gz UKJQIYBCAUFSRP-MRXNPFEDSA-N 0 0 404.333 4.466 20 30 HIEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000430316557 858120340 /nfs/dbraw/zinc/12/03/40/858120340.db2.gz FCGMMVMGHJNYFV-KUHUBIRLSA-N 0 0 405.420 4.241 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC000430355613 858131964 /nfs/dbraw/zinc/13/19/64/858131964.db2.gz POABTAHLOKKFSM-UHFFFAOYSA-N 0 0 410.882 4.438 20 30 HIEDRN CCc1c(C(=O)Nc2ccc(C#N)cc2Cl)nnn1-c1ccc(OC(C)C)cc1 ZINC000430370289 858137438 /nfs/dbraw/zinc/13/74/38/858137438.db2.gz MGEAZNMXLNCJNQ-UHFFFAOYSA-N 0 0 409.877 4.394 20 30 HIEDRN C=CCOc1ccc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1OC ZINC000430421960 858153598 /nfs/dbraw/zinc/15/35/98/858153598.db2.gz BRAALIFPZAOWTL-XLIONFOSSA-N 0 0 422.308 4.297 20 30 HIEDRN CN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430448107 858170004 /nfs/dbraw/zinc/17/00/04/858170004.db2.gz KJKXIEGXBUUTEC-UYAOXDASSA-N 0 0 421.349 4.215 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430577346 858225216 /nfs/dbraw/zinc/22/52/16/858225216.db2.gz UKGFUJNHYKBUNR-UHFFFAOYSA-N 0 0 416.662 4.376 20 30 HIEDRN CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3cc[nH+]cc3)c2C(F)F)s1 ZINC000430588758 858228405 /nfs/dbraw/zinc/22/84/05/858228405.db2.gz ASFSHCSNIOIOTN-LBPRGKRZSA-N 0 0 401.442 4.449 20 30 HIEDRN N#C[C@@H](C(=O)c1ccccc1CN1CCOCC1)c1nc2cc(Cl)ccc2s1 ZINC000430645323 858245715 /nfs/dbraw/zinc/24/57/15/858245715.db2.gz BCZASOBDFMCTIQ-KRWDZBQOSA-N 0 0 411.914 4.272 20 30 HIEDRN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)s1 ZINC000430648459 858247330 /nfs/dbraw/zinc/24/73/30/858247330.db2.gz RANRVHPUGXJVON-MRXNPFEDSA-N 0 0 420.538 4.367 20 30 HIEDRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000430686922 858269447 /nfs/dbraw/zinc/26/94/47/858269447.db2.gz OMYLHKBWNGNTBG-MZNJEOGPSA-N 0 0 407.489 4.292 20 30 HIEDRN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)c1cccc(SCC#N)c1)O[C@@H](C)C2 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400.400 4.472 20 30 HIEDRN Cc1cc(NC(=O)c2c(C)onc2-c2cccc(Cl)c2Cl)nn1CCC#N ZINC000430791882 858306523 /nfs/dbraw/zinc/30/65/23/858306523.db2.gz FZVCJAWKUIEWIV-UHFFFAOYSA-N 0 0 404.257 4.628 20 30 HIEDRN C=CCN1C(=O)N(Cc2csc(-c3ccccc3)n2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430897680 858359533 /nfs/dbraw/zinc/35/95/33/858359533.db2.gz POPVIEZQCFQIBX-FQEVSTJZSA-N 0 0 403.507 4.372 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CC[C@H](c4ccccc4F)C3)CC2)nc1 ZINC000430929401 858373586 /nfs/dbraw/zinc/37/35/86/858373586.db2.gz WIUJDICYSVORCC-IQNGYNMSSA-N 0 0 422.504 4.418 20 30 HIEDRN N#CCC1(CNC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1 ZINC000431106374 858448658 /nfs/dbraw/zinc/44/86/58/858448658.db2.gz MKLVMWLBDOJAIU-UHFFFAOYSA-N 0 0 402.317 4.419 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000431134303 858462492 /nfs/dbraw/zinc/46/24/92/858462492.db2.gz DUAAXAAWVJLAGA-UHFFFAOYSA-N 0 0 421.247 4.491 20 30 HIEDRN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000431187112 858494972 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HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[C@@H]3CCCC[C@@H]3O)c2)c1 ZINC000431537558 858661568 /nfs/dbraw/zinc/66/15/68/858661568.db2.gz QBTNUGBBUVHTBO-AVRDEDQJSA-N 0 0 420.513 4.263 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccc1 ZINC000431628338 858698953 /nfs/dbraw/zinc/69/89/53/858698953.db2.gz PBAUZVVJHWYJEO-OAHLLOKOSA-N 0 0 416.396 4.438 20 30 HIEDRN Cc1cc(Br)cc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431631923 858701273 /nfs/dbraw/zinc/70/12/73/858701273.db2.gz FJIMHBHKXRYESG-GOSISDBHSA-N 0 0 407.333 4.471 20 30 HIEDRN Cc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1 ZINC000431638675 858705197 /nfs/dbraw/zinc/70/51/97/858705197.db2.gz IDUMHETUMNNYBC-KRWDZBQOSA-N 0 0 407.333 4.471 20 30 HIEDRN CN1c2ccc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)c3cccc(c23)C1=O ZINC000431639838 858705631 /nfs/dbraw/zinc/70/56/31/858705631.db2.gz ZCVDPNHBHXBMGT-IBGZPJMESA-N 0 0 419.506 4.143 20 30 HIEDRN C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)cc(Cl)c2O1 ZINC000431642170 858706780 /nfs/dbraw/zinc/70/67/80/858706780.db2.gz ZZIHBMKTABSDDK-LIRRHRJNSA-N 0 0 404.919 4.377 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000431668328 858726225 /nfs/dbraw/zinc/72/62/25/858726225.db2.gz XEXQCBIYBISONI-HXUWFJFHSA-N 0 0 400.507 4.104 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000431709505 858754739 /nfs/dbraw/zinc/75/47/39/858754739.db2.gz GUVJKVCYWYQYHK-KRWDZBQOSA-N 0 0 405.433 4.467 20 30 HIEDRN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431723588 858764190 /nfs/dbraw/zinc/76/41/90/858764190.db2.gz PVNWAOIIRNJSIU-INIZCTEOSA-N 0 0 404.297 4.250 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000431737866 858775890 /nfs/dbraw/zinc/77/58/90/858775890.db2.gz AGSQDMMRPARAQW-UHFFFAOYSA-N 0 0 404.495 4.033 20 30 HIEDRN COc1ccc([C@@H](NC(=O)c2sc3ccc(C#N)cc3c2C)c2nccn2C)cc1 ZINC000431755233 858792194 /nfs/dbraw/zinc/79/21/94/858792194.db2.gz BYDUXHQHQXJEQT-HXUWFJFHSA-N 0 0 416.506 4.343 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000431805579 858820437 /nfs/dbraw/zinc/82/04/37/858820437.db2.gz UYLPPDHCSOSUHL-UHFFFAOYSA-N 0 0 422.485 4.210 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccccc1 ZINC000431815579 858825342 /nfs/dbraw/zinc/82/53/42/858825342.db2.gz WMFXMOFNHJMOLU-JOCHJYFZSA-N 0 0 404.514 4.043 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000431857958 858842585 /nfs/dbraw/zinc/84/25/85/858842585.db2.gz MQFSSHIELRIJSM-HSZRJFAPSA-N 0 0 409.445 4.457 20 30 HIEDRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431863001 858844033 /nfs/dbraw/zinc/84/40/33/858844033.db2.gz PTUCRBHGYLPEHC-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000431870556 858848236 /nfs/dbraw/zinc/84/82/36/858848236.db2.gz JBTYGJZNOLBUTG-UHFFFAOYSA-N 0 0 415.415 4.376 20 30 HIEDRN COc1ccccc1N1CC[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000431872411 858849218 /nfs/dbraw/zinc/84/92/18/858849218.db2.gz UCECEIJAITWEAJ-TZIWHRDSSA-N 0 0 406.530 4.256 20 30 HIEDRN C[C@H]1CN(Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873426 858850009 /nfs/dbraw/zinc/85/00/09/858850009.db2.gz UCCCQNLGQUZDDB-GBXCKJPGSA-N 0 0 420.557 4.142 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431908557 858864993 /nfs/dbraw/zinc/86/49/93/858864993.db2.gz DBAOPMJEKFZUCZ-QFIPXVFZSA-N 0 0 409.486 4.201 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431960968 858889116 /nfs/dbraw/zinc/88/91/16/858889116.db2.gz RAENVFKIHMNJMR-AWEZNQCLSA-N 0 0 404.495 4.115 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000432008669 858922308 /nfs/dbraw/zinc/92/23/08/858922308.db2.gz RMSDMWQBEHYPHA-OAHLLOKOSA-N 0 0 413.783 4.094 20 30 HIEDRN CCOc1ccc(CN(CCCn2ccnc2)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000432054875 858952821 /nfs/dbraw/zinc/95/28/21/858952821.db2.gz NHTPZVZJVMJFLB-UHFFFAOYSA-N 0 0 405.458 4.159 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000432114752 858998418 /nfs/dbraw/zinc/99/84/18/858998418.db2.gz DOQFEVHUOQBRFW-INIZCTEOSA-N 0 0 416.294 4.234 20 30 HIEDRN CC[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)Oc1ccccc1Cl ZINC000432172747 859029336 /nfs/dbraw/zinc/02/93/36/859029336.db2.gz AENLUJVKVKHOLG-QGZVFWFLSA-N 0 0 413.905 4.294 20 30 HIEDRN Cc1ccc(C)c([C@H]2CN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H](C)CO2)c1 ZINC000432188429 859037035 /nfs/dbraw/zinc/03/70/35/859037035.db2.gz VLXUJQFKECSSFK-AUSIDOKSSA-N 0 0 419.525 4.273 20 30 HIEDRN C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C1=O ZINC000432207969 859047454 /nfs/dbraw/zinc/04/74/54/859047454.db2.gz KZZALHODHPWPPI-WOJBJXKFSA-N 0 0 413.399 4.366 20 30 HIEDRN Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)c1 ZINC000432211566 859048629 /nfs/dbraw/zinc/04/86/29/859048629.db2.gz YFPOMYOVSNKZJU-UHFFFAOYSA-N 0 0 417.431 4.487 20 30 HIEDRN COc1ccc(CN(CCc2ccccn2)C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000432234874 859060831 /nfs/dbraw/zinc/06/08/31/859060831.db2.gz ZOLBRHNNXIUHCW-UHFFFAOYSA-N 0 0 404.445 4.378 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000432289985 859087513 /nfs/dbraw/zinc/08/75/13/859087513.db2.gz UWGGCSCCYMKHEE-UHFFFAOYSA-N 0 0 408.465 4.436 20 30 HIEDRN CCn1cc(-c2ccc(OCC(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)nn1 ZINC000432300643 859091892 /nfs/dbraw/zinc/09/18/92/859091892.db2.gz FYCBDPVPHXDAID-MRXNPFEDSA-N 0 0 421.526 4.377 20 30 HIEDRN N#CCCCOc1cccc(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000432320927 859102357 /nfs/dbraw/zinc/10/23/57/859102357.db2.gz RPADGCLVGPUDLA-LJQANCHMSA-N 0 0 414.303 4.349 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000432386781 859137980 /nfs/dbraw/zinc/13/79/80/859137980.db2.gz MSMITXATTXVAEB-UHFFFAOYSA-N 0 0 408.845 4.375 20 30 HIEDRN CN1C(=O)N([C@H](CCC#N)c2ccccc2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000432393310 859142272 /nfs/dbraw/zinc/14/22/72/859142272.db2.gz UOZWGYBUWBONTA-QZTJIDSGSA-N 0 0 412.287 4.429 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)n2)c(F)c1 ZINC000432402698 859147114 /nfs/dbraw/zinc/14/71/14/859147114.db2.gz QOLWBDATRVWINV-WOVMCDHWSA-N 0 0 409.852 4.604 20 30 HIEDRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 ZINC000432413123 859152890 /nfs/dbraw/zinc/15/28/90/859152890.db2.gz KINASXVLKNMMGQ-GOSISDBHSA-N 0 0 405.527 4.408 20 30 HIEDRN N#Cc1nn(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc12 ZINC000432457079 859172006 /nfs/dbraw/zinc/17/20/06/859172006.db2.gz OHWYLTXCZQAAKH-QHCPKHFHSA-N 0 0 400.869 4.467 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1 ZINC000432469282 859179280 /nfs/dbraw/zinc/17/92/80/859179280.db2.gz CPDAPIKUJSYUDG-OAQYLSRUSA-N 0 0 400.438 4.431 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NCC1(CC#N)CC1)C(F)(F)F ZINC000432480082 859185885 /nfs/dbraw/zinc/18/58/85/859185885.db2.gz UMLKQHODJZDRKW-KRWDZBQOSA-N 0 0 405.424 4.086 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000432485108 859187741 /nfs/dbraw/zinc/18/77/41/859187741.db2.gz JIQCYJUVLNEAAL-IBGZPJMESA-N 0 0 416.447 4.126 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000432494773 859193122 /nfs/dbraw/zinc/19/31/22/859193122.db2.gz GEGGZJSYCBHCGF-QGZVFWFLSA-N 0 0 415.280 4.355 20 30 HIEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@H]3CCS(=O)(=O)C3)n2)o1 ZINC000432539258 859215977 /nfs/dbraw/zinc/21/59/77/859215977.db2.gz AQPZDHXBWLKYPF-LLVKDONJSA-N 0 0 416.446 4.067 20 30 HIEDRN CCOC(=O)c1cnc(C(C)=Cc2cccc(OCc3cccc(C#N)c3)c2)[nH]c1=O ZINC000432693802 859299524 /nfs/dbraw/zinc/29/95/24/859299524.db2.gz KEYDGPWVUARKPK-MHWRWJLKSA-N 0 0 415.449 4.370 20 30 HIEDRN COc1ccc(Br)c(OCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000432719873 859317039 /nfs/dbraw/zinc/31/70/39/859317039.db2.gz OXZUUPLKZCAVRR-UHFFFAOYSA-N 0 0 423.694 4.437 20 30 HIEDRN CCCOc1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCCC ZINC000432729700 859324245 /nfs/dbraw/zinc/32/42/45/859324245.db2.gz ICFODGGQWBPUDO-IBGZPJMESA-N 0 0 424.501 4.216 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(Cc2nc3ccc(F)cc3s2)CC1 ZINC000432742791 859330442 /nfs/dbraw/zinc/33/04/42/859330442.db2.gz QHBPLBQRMXKSJE-UHFFFAOYSA-N 0 0 403.486 4.177 20 30 HIEDRN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)c2ccccc2S1 ZINC000432771164 859351861 /nfs/dbraw/zinc/35/18/61/859351861.db2.gz JOHZZXFWDMOOLL-NSHDSACASA-N 0 0 409.330 4.010 20 30 HIEDRN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1-c1ncco1 ZINC000432774371 859354748 /nfs/dbraw/zinc/35/47/48/859354748.db2.gz BGHSWDMKZAGYOW-UHFFFAOYSA-N 0 0 418.272 4.085 20 30 HIEDRN CC(C)Cn1ccc2cc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc21 ZINC000432837301 859380842 /nfs/dbraw/zinc/38/08/42/859380842.db2.gz RISAQKKRIVXFSJ-HXUWFJFHSA-N 0 0 403.486 4.249 20 30 HIEDRN Cc1csc(-c2ccc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)n1 ZINC000432842106 859383784 /nfs/dbraw/zinc/38/37/84/859383784.db2.gz XDOGRMHMGAMTNB-GOSISDBHSA-N 0 0 405.483 4.070 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000467608681 881414533 /nfs/dbraw/zinc/41/45/33/881414533.db2.gz PORJHAGVHGVZLX-UHFFFAOYSA-N 0 0 413.384 4.465 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000432852393 859388855 /nfs/dbraw/zinc/38/88/55/859388855.db2.gz QPNQQKUIJKNFQY-MRXNPFEDSA-N 0 0 424.501 4.033 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)NCCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000467608918 881416167 /nfs/dbraw/zinc/41/61/67/881416167.db2.gz SFIQKCSDTSWWAR-UHFFFAOYSA-N 0 0 424.460 4.160 20 30 HIEDRN N#CCc1cccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000432883383 859405947 /nfs/dbraw/zinc/40/59/47/859405947.db2.gz IRAZUVZCUKMDNC-UHFFFAOYSA-N 0 0 409.243 4.350 20 30 HIEDRN CC(C)[C@H]1N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1(C)C ZINC000432914224 859427924 /nfs/dbraw/zinc/42/79/24/859427924.db2.gz RPKPGMGVAGLGQR-OAHLLOKOSA-N 0 0 401.561 4.600 20 30 HIEDRN CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432935783 859437925 /nfs/dbraw/zinc/43/79/25/859437925.db2.gz BBYOZFYZSNFTRD-UHFFFAOYSA-N 0 0 419.753 4.246 20 30 HIEDRN CS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000432953844 859446359 /nfs/dbraw/zinc/44/63/59/859446359.db2.gz KDNHHLWTXLNWDU-QGZVFWFLSA-N 0 0 420.922 4.268 20 30 HIEDRN CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000432958364 859448814 /nfs/dbraw/zinc/44/88/14/859448814.db2.gz GINSNHMKJZGQEJ-HNNXBMFYSA-N 0 0 400.866 4.079 20 30 HIEDRN CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433131476 859532946 /nfs/dbraw/zinc/53/29/46/859532946.db2.gz DAYWDQIZAAEZEI-LJQANCHMSA-N 0 0 400.504 4.005 20 30 HIEDRN CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000433131846 859533137 /nfs/dbraw/zinc/53/31/37/859533137.db2.gz DQRXMDXRQILXTD-HSZRJFAPSA-N 0 0 407.477 4.458 20 30 HIEDRN COc1cccc(Cc2nnc(NC(=O)N[C@H](CCCC#N)c3ccccc3)s2)c1 ZINC000433136001 859535475 /nfs/dbraw/zinc/53/54/75/859535475.db2.gz OUWNVCKSUFRXDO-LJQANCHMSA-N 0 0 421.526 4.694 20 30 HIEDRN CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000433140533 859536934 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HIEDRN N#Cc1cc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@H]2CCO)ccc1F ZINC000467763933 881581899 /nfs/dbraw/zinc/58/18/99/881581899.db2.gz XEPVOIPGGBXMNQ-SFHVURJKSA-N 0 0 415.896 4.340 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000435467787 860808423 /nfs/dbraw/zinc/80/84/23/860808423.db2.gz KQZWLGWZODQYQG-ZIFCJYIRSA-N 0 0 407.539 4.424 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1C#N ZINC000435487999 860817742 /nfs/dbraw/zinc/81/77/42/860817742.db2.gz XJJWODAKDOFMDC-QGZVFWFLSA-N 0 0 419.403 4.094 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C#N ZINC000435495046 860822065 /nfs/dbraw/zinc/82/20/65/860822065.db2.gz CSEXVIQEUDZWLM-HNNXBMFYSA-N 0 0 405.454 4.250 20 30 HIEDRN CCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C(C)C)cc1 ZINC000435528285 860844449 /nfs/dbraw/zinc/84/44/49/860844449.db2.gz BNDNDOHOAOYZKY-JOCHJYFZSA-N 0 0 407.514 4.360 20 30 HIEDRN Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000435541878 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IGTVKEQJEPPVDZ-ZRBLBEILSA-N 0 0 416.573 4.488 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000460383854 873027237 /nfs/dbraw/zinc/02/72/37/873027237.db2.gz IGTVKEQJEPPVDZ-ZLNRFVROSA-N 0 0 416.573 4.488 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC)CCc1cccs1 ZINC000460386873 873031677 /nfs/dbraw/zinc/03/16/77/873031677.db2.gz LZCILSSEDBLQGJ-UHFFFAOYSA-N 0 0 410.547 4.022 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000460391737 873039156 /nfs/dbraw/zinc/03/91/56/873039156.db2.gz YSZVNOSHDMMDKS-IFMALSPDSA-N 0 0 404.562 4.173 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000460392172 873039922 /nfs/dbraw/zinc/03/99/22/873039922.db2.gz XQWRKQQKLDAYLW-GCJKJVERSA-N 0 0 417.488 4.454 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000460392762 873040882 /nfs/dbraw/zinc/04/08/82/873040882.db2.gz ZXVHWRKPLCHPKU-QFIPXVFZSA-N 0 0 420.513 4.025 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C ZINC000460394167 873042537 /nfs/dbraw/zinc/04/25/37/873042537.db2.gz MKOHUPMOJNCKFO-AWEZNQCLSA-N 0 0 423.380 4.137 20 30 HIEDRN C=CC[C@@H]1N(c2nnc([C@@H]3COCCO3)n2CCc2ccccc2)CCCC1(C)C ZINC000460419623 873078765 /nfs/dbraw/zinc/07/87/65/873078765.db2.gz LXOIBKHUHKHMDZ-SFTDATJTSA-N 0 0 410.562 4.180 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCc1ccccc1 ZINC000460425829 873087281 /nfs/dbraw/zinc/08/72/81/873087281.db2.gz XWEQYOMFBJPYCK-NRFANRHFSA-N 0 0 406.505 4.356 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(-c3ccccc3C)n2CCc2ccccc2)CC1 ZINC000460428341 873090800 /nfs/dbraw/zinc/09/08/00/873090800.db2.gz OOQMKASACHSNMX-UHFFFAOYSA-N 0 0 415.541 4.253 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(-c3cc(C)oc3C)n2CCc2ccccc2)CC1 ZINC000460441105 873110273 /nfs/dbraw/zinc/11/02/73/873110273.db2.gz STZCMHDNTKZDHT-UHFFFAOYSA-N 0 0 419.529 4.154 20 30 HIEDRN CC(C)S(=O)(=O)c1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000460458817 873138688 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414.550 4.322 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000460542002 873243764 /nfs/dbraw/zinc/24/37/64/873243764.db2.gz HWBPUIMUWNJVNB-KRWDZBQOSA-N 0 0 414.575 4.160 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OCCC)CC1 ZINC000460544007 873247033 /nfs/dbraw/zinc/24/70/33/873247033.db2.gz DAJNYHQRRWXUQT-SFHVURJKSA-N 0 0 414.550 4.324 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCc2ccc(F)cc2C1 ZINC000460546201 873249711 /nfs/dbraw/zinc/24/97/11/873249711.db2.gz UDMPPVNEXBUPGR-OAQYLSRUSA-N 0 0 406.461 4.069 20 30 HIEDRN C=C(C)Cn1c(COCC)nnc1N1Cc2cc(Br)ccc2C[C@H]1C ZINC000460549334 873257781 /nfs/dbraw/zinc/25/77/81/873257781.db2.gz UVCRAJMCBJPERJ-CQSZACIVSA-N 0 0 405.340 4.104 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC000460550206 873259463 /nfs/dbraw/zinc/25/94/63/873259463.db2.gz KAGGCUPDSUYSFK-UHFFFAOYSA-N 0 0 415.541 4.182 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000460549740 873259712 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WEHYSBNSTWUIJA-NRFANRHFSA-N 0 0 419.529 4.110 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000460556367 873275694 /nfs/dbraw/zinc/27/56/94/873275694.db2.gz VEMRYPLZGIOSFZ-IRLDBZIGSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(Cc1ccccc1)C(C)C ZINC000460557747 873277576 /nfs/dbraw/zinc/27/75/76/873277576.db2.gz XWUHKBBHFAJHEI-UHFFFAOYSA-N 0 0 424.570 4.340 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000460558112 873281744 /nfs/dbraw/zinc/28/17/44/873281744.db2.gz XBKXAUKPXLWNCS-IBGZPJMESA-N 0 0 408.502 4.308 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H]1CCSC1 ZINC000460560728 873286004 /nfs/dbraw/zinc/28/60/04/873286004.db2.gz OVXCGPYYWCUSBN-CYBMUJFWSA-N 0 0 423.380 4.234 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H]1CC(C)(C)C ZINC000460560891 873286670 /nfs/dbraw/zinc/28/66/70/873286670.db2.gz VHKLIXSBZHZFAL-QGZVFWFLSA-N 0 0 420.561 4.173 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000460560847 873286749 /nfs/dbraw/zinc/28/67/49/873286749.db2.gz DIMJMLBRLLROAP-UXHICEINSA-N 0 0 400.498 4.030 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000460561752 873288197 /nfs/dbraw/zinc/28/81/97/873288197.db2.gz XMLHIMBOSRCHHA-GOSISDBHSA-N 0 0 421.549 4.038 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000460561860 873288630 /nfs/dbraw/zinc/28/86/30/873288630.db2.gz HCBFLPVSALBZOC-UHFFFAOYSA-N 0 0 406.534 4.262 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000460561942 873289063 /nfs/dbraw/zinc/28/90/63/873289063.db2.gz RTUOUFQIXXLPBP-ABSDTBQOSA-N 0 0 402.514 4.305 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC000460562590 873290426 /nfs/dbraw/zinc/29/04/26/873290426.db2.gz SIENGGNWRAYIFJ-ZBFHGGJFSA-N 0 0 403.324 4.281 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC2(CCOCC2)[C@@H]1C ZINC000460565669 873297059 /nfs/dbraw/zinc/29/70/59/873297059.db2.gz OVFMOVGMGUZZPR-SFHVURJKSA-N 0 0 418.545 4.307 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)Nc1ccccc1 ZINC000460568753 873300700 /nfs/dbraw/zinc/30/07/00/873300700.db2.gz YTBDYXQFUCAJMM-UHFFFAOYSA-N 0 0 409.921 4.173 20 30 HIEDRN C=C(C)Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1C(C)(C)c1ccccc1 ZINC000460567976 873300951 /nfs/dbraw/zinc/30/09/51/873300951.db2.gz QYERAKFSTYNUBB-UHFFFAOYSA-N 0 0 409.578 4.064 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](COC)C1 ZINC000460571964 873305656 /nfs/dbraw/zinc/30/56/56/873305656.db2.gz ISVZWIYECBYHCH-GOSISDBHSA-N 0 0 406.534 4.164 20 30 HIEDRN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SC[C@H](O)C(F)(F)F ZINC000460571598 873305865 /nfs/dbraw/zinc/30/58/65/873305865.db2.gz FHVGDKFQVQCFPF-NSHDSACASA-N 0 0 418.487 4.388 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000460574243 873309747 /nfs/dbraw/zinc/30/97/47/873309747.db2.gz MAHXIIGLJYICDK-UHFFFAOYSA-N 0 0 404.474 4.302 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccc(F)cc2)n1CC(C)C ZINC000460577119 873312797 /nfs/dbraw/zinc/31/27/97/873312797.db2.gz UPGKZUUVQQBAIZ-UHFFFAOYSA-N 0 0 421.520 4.189 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(CC)Cc1cnn(C)c1 ZINC000460582061 873318759 /nfs/dbraw/zinc/31/87/59/873318759.db2.gz ZQDLHPLMLAIZSQ-MRXNPFEDSA-N 0 0 414.941 4.408 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC2(C1)CCCCC2 ZINC000460651948 873394062 /nfs/dbraw/zinc/39/40/62/873394062.db2.gz CPRNXKYEQNYGJB-UHFFFAOYSA-N 0 0 421.335 4.281 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460671563 873417131 /nfs/dbraw/zinc/41/71/31/873417131.db2.gz CXFCDYPAWWQHLP-QFIPXVFZSA-N 0 0 415.880 4.126 20 30 HIEDRN N#Cc1ccnc(N2CCN(C(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)c1 ZINC000460677910 873426404 /nfs/dbraw/zinc/42/64/04/873426404.db2.gz KVFPRWQMANCFFV-DEOSSOPVSA-N 0 0 410.521 4.018 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)cc1 ZINC000460682209 873431551 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C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461135117 874072730 /nfs/dbraw/zinc/07/27/30/874072730.db2.gz ZZAASMQOXGCORO-DNVCBOLYSA-N 0 0 423.467 4.471 20 30 HIEDRN CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461136310 874075477 /nfs/dbraw/zinc/07/54/77/874075477.db2.gz VIDJNWRCYYQYKF-LJQANCHMSA-N 0 0 407.543 4.126 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2C[C@H]2CCCO2)cc1 ZINC000461148984 874094135 /nfs/dbraw/zinc/09/41/35/874094135.db2.gz RPXNCEHJIJUVTO-WOJBJXKFSA-N 0 0 405.527 4.399 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ncccc2C)n1C[C@@H]1CCCO1 ZINC000461154243 874105713 /nfs/dbraw/zinc/10/57/13/874105713.db2.gz IAWWRRWKXVZQNS-IBGZPJMESA-N 0 0 407.493 4.159 20 30 HIEDRN COc1ccc([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000461157548 874113268 /nfs/dbraw/zinc/11/32/68/874113268.db2.gz JAGANVSIFRVYOK-JTSKRJEESA-N 0 0 417.513 4.202 20 30 HIEDRN CCS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1 ZINC000461161144 874119519 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Cc1ccccc1[C@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1 ZINC000461244577 874246919 /nfs/dbraw/zinc/24/69/19/874246919.db2.gz HVRPGEGNSGUOQV-NFBKMPQASA-N 0 0 419.525 4.011 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461256152 874261532 /nfs/dbraw/zinc/26/15/32/874261532.db2.gz MGZXRZFRKZWNNL-QHCPKHFHSA-N 0 0 413.525 4.231 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461258424 874263423 /nfs/dbraw/zinc/26/34/23/874263423.db2.gz WKVGZIFDFZVZOX-HNAYVOBHSA-N 0 0 423.467 4.471 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(COc3cccc(F)c3)c2)cn1 ZINC000461281245 874288376 /nfs/dbraw/zinc/28/83/76/874288376.db2.gz IGCNLHDOOAPPMH-UHFFFAOYSA-N 0 0 413.412 4.109 20 30 HIEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461281809 874288731 /nfs/dbraw/zinc/28/87/31/874288731.db2.gz KFNONAVEIGEXBO-UHFFFAOYSA-N 0 0 422.420 4.101 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000461290202 874296102 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HIEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1)C1CC1 ZINC000461321211 874330120 /nfs/dbraw/zinc/33/01/20/874330120.db2.gz UMJSYSLUVMRKJB-UHFFFAOYSA-N 0 0 407.543 4.463 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000461321751 874330140 /nfs/dbraw/zinc/33/01/40/874330140.db2.gz VWJSRASSLSWSRW-UHFFFAOYSA-N 0 0 411.440 4.814 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(-c3ccccc3C)n2Cc2cccs2)CC1 ZINC000461327742 874337547 /nfs/dbraw/zinc/33/75/47/874337547.db2.gz UCEATISIJLYSMO-UHFFFAOYSA-N 0 0 407.543 4.120 20 30 HIEDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000461330218 874340617 /nfs/dbraw/zinc/34/06/17/874340617.db2.gz HSGHZZLQHDKVIX-IERDGZPVSA-N 0 0 414.502 4.126 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)c2noc(COC(C)C)n2)cc1 ZINC000461378067 874383588 /nfs/dbraw/zinc/38/35/88/874383588.db2.gz WWARJXWAKSWCMF-MRXNPFEDSA-N 0 0 420.469 4.458 20 30 HIEDRN CCCCCOc1cc(CNc2nn(-c3ccc(C#N)cn3)cc2C)ccc1OC ZINC000461419735 874444529 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CCOc1ccc(Br)cc1CN(C(=O)N[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000461937342 875071694 /nfs/dbraw/zinc/07/16/94/875071694.db2.gz POUULRGBKRJQAA-SUMWQHHRSA-N 0 0 406.324 4.214 20 30 HIEDRN Cc1nc(Oc2ccc(I)cc2[N+](=O)[O-])c(Cl)cc1C#N ZINC000461937942 875072978 /nfs/dbraw/zinc/07/29/78/875072978.db2.gz WJJDQYTWZQAETG-UHFFFAOYSA-N 0 0 415.574 4.220 20 30 HIEDRN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C3)cc1 ZINC000461953281 875084296 /nfs/dbraw/zinc/08/42/96/875084296.db2.gz AVEDZOCTMIHLLU-UTKZUKDTSA-N 0 0 417.513 4.399 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000461955649 875085130 /nfs/dbraw/zinc/08/51/30/875085130.db2.gz FVJNSFGWWDDOLQ-OFNKIYASSA-N 0 0 407.514 4.416 20 30 HIEDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000461983365 875103487 /nfs/dbraw/zinc/10/34/87/875103487.db2.gz BDZIBKIGWSGTLE-LBPRGKRZSA-N 0 0 420.263 4.163 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000461987079 875106978 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HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000462070043 875180408 /nfs/dbraw/zinc/18/04/08/875180408.db2.gz UYXQVVGXQJJZLH-HDJSIYSDSA-N 0 0 411.310 4.098 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NC(c2cccs2)c2cccs2)cn1 ZINC000462081404 875190314 /nfs/dbraw/zinc/19/03/14/875190314.db2.gz BWADWYVRJSNIKG-UHFFFAOYSA-N 0 0 406.496 4.173 20 30 HIEDRN CCCCCOc1cc(C)ccc1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462083499 875191536 /nfs/dbraw/zinc/19/15/36/875191536.db2.gz HSRIAEWHDMILTQ-UHFFFAOYSA-N 0 0 418.501 4.338 20 30 HIEDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462085564 875195277 /nfs/dbraw/zinc/19/52/77/875195277.db2.gz SBEIERBBIVECOJ-ZDUSSCGKSA-N 0 0 414.391 4.383 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cn1 ZINC000462089455 875198139 /nfs/dbraw/zinc/19/81/39/875198139.db2.gz MLQQQAZGLNPUEK-DEOSSOPVSA-N 0 0 412.497 4.041 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)cn1 ZINC000462088865 875198176 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HIEDRN COc1ccccc1Oc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000470958829 885457962 /nfs/dbraw/zinc/45/79/62/885457962.db2.gz LOCKHPKWVMQABZ-NRFANRHFSA-N 0 0 411.461 4.358 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)cc1 ZINC000470967606 885466859 /nfs/dbraw/zinc/46/68/59/885466859.db2.gz NOUDQKRNJNQGAD-JRPXNJEYSA-N 0 0 419.550 4.461 20 30 HIEDRN COC(=O)c1nc([C@H]2CCCN2Cc2ccc(C#N)cc2OC(F)F)sc1C ZINC000471000734 885500904 /nfs/dbraw/zinc/50/09/04/885500904.db2.gz IWFMNGVORBCYCG-CQSZACIVSA-N 0 0 407.442 4.048 20 30 HIEDRN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004304 885504726 /nfs/dbraw/zinc/50/47/26/885504726.db2.gz HVAMLMJAHGPOGX-JXFKEZNVSA-N 0 0 407.905 4.333 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000471006250 885507718 /nfs/dbraw/zinc/50/77/18/885507718.db2.gz JGTSBSIXQAEJGK-LJQANCHMSA-N 0 0 400.313 4.024 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000471008463 885509636 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ZINC000471263364 885842805 /nfs/dbraw/zinc/84/28/05/885842805.db2.gz ZGDVKROEXCOJJE-RHSMWYFYSA-N 0 0 400.885 4.148 20 30 HIEDRN O=C(NCC1(C(F)F)CC1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000471269104 885846886 /nfs/dbraw/zinc/84/68/86/885846886.db2.gz QPVXXQOEELSZKY-UHFFFAOYSA-N 0 0 421.284 4.344 20 30 HIEDRN Cc1c(I)cccc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000471271114 885849874 /nfs/dbraw/zinc/84/98/74/885849874.db2.gz AKMVENZMNTWAII-LJQANCHMSA-N 0 0 418.278 4.245 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3nc(-c4ccc(F)cc4)cs3)C2)n1 ZINC000471284965 885866552 /nfs/dbraw/zinc/86/65/52/885866552.db2.gz BKKOABVOFRKMAO-KRWDZBQOSA-N 0 0 421.501 4.379 20 30 HIEDRN Cc1ncc(-c2ccc(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2)o1 ZINC000471291692 885877395 /nfs/dbraw/zinc/87/73/95/885877395.db2.gz HBNCTHPTFONKTI-IBGZPJMESA-N 0 0 401.470 4.080 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(C)c(Br)c3)C2)n1 ZINC000471292527 885878523 /nfs/dbraw/zinc/87/85/23/885878523.db2.gz MDDIMCWNJWUMEG-INIZCTEOSA-N 0 0 413.319 4.188 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000471294509 885879961 /nfs/dbraw/zinc/87/99/61/885879961.db2.gz ZIKOTMFKRWIVQO-IVZQSRNASA-N 0 0 407.470 4.390 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccc(Cl)cc3)C3CC3)C2)n1 ZINC000471298133 885884803 /nfs/dbraw/zinc/88/48/03/885884803.db2.gz NKPWAHFAQGPIDH-LJQANCHMSA-N 0 0 408.933 4.323 20 30 HIEDRN CCCN(C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)[C@H]1CCc2ccccc21 ZINC000471301556 885889863 /nfs/dbraw/zinc/88/98/63/885889863.db2.gz XESUESSBAYTURW-GMAHTHKFSA-N 0 0 402.542 4.404 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000471337132 885940564 /nfs/dbraw/zinc/94/05/64/885940564.db2.gz RFDVIMONUUSVQA-UHFFFAOYSA-N 0 0 400.360 4.414 20 30 HIEDRN C=CCOc1cccc(NC(=O)c2ccc(OC)cc2I)c1 ZINC000471341549 885948361 /nfs/dbraw/zinc/94/83/61/885948361.db2.gz MSXVSPGDLVOABZ-UHFFFAOYSA-N 0 0 409.223 4.117 20 30 HIEDRN Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)nn1CCC#N ZINC000504085248 912993578 /nfs/dbraw/zinc/99/35/78/912993578.db2.gz DCLYPQFRHVVTQS-UHFFFAOYSA-N 0 0 402.483 4.272 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000504086905 912995816 /nfs/dbraw/zinc/99/58/16/912995816.db2.gz VEDDUHZWNCHTNY-FQEVSTJZSA-N 0 0 408.498 4.125 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000504089095 912998747 /nfs/dbraw/zinc/99/87/47/912998747.db2.gz FLIYQVAAAQXYSL-DEOSSOPVSA-N 0 0 408.498 4.143 20 30 HIEDRN Cc1cc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nn1CCC#N ZINC000504090343 913000665 /nfs/dbraw/zinc/00/06/65/913000665.db2.gz YYHQRASGNIKBEU-UHFFFAOYSA-N 0 0 420.860 4.457 20 30 HIEDRN Cc1cc(NC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)nn1CCC#N ZINC000471398229 886047345 /nfs/dbraw/zinc/04/73/45/886047345.db2.gz ZLBRGNMZLSYQSB-UHFFFAOYSA-N 0 0 403.490 4.288 20 30 HIEDRN COCCN(C(=O)CCCc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000471403671 886054011 /nfs/dbraw/zinc/05/40/11/886054011.db2.gz CXMXSQQCIIONBD-UHFFFAOYSA-N 0 0 407.333 4.385 20 30 HIEDRN Cc1cccc(COc2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)c1 ZINC000504094915 913006566 /nfs/dbraw/zinc/00/65/66/913006566.db2.gz VXMXTXMILQYFFY-RUZDIDTESA-N 0 0 422.525 4.452 20 30 HIEDRN COc1cccc2c1CC[C@H]2NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000471488721 886187224 /nfs/dbraw/zinc/18/72/24/886187224.db2.gz OZZHFDYFEXSASW-WIXQSORDSA-N 0 0 405.498 4.244 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(F)c(Br)cc1C ZINC000471543091 886249243 /nfs/dbraw/zinc/24/92/43/886249243.db2.gz WWVNSCLCXNSSAT-UHFFFAOYSA-N 0 0 407.287 4.195 20 30 HIEDRN Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)nn1CCC#N ZINC000504119377 913025369 /nfs/dbraw/zinc/02/53/69/913025369.db2.gz MLBLKZQTGVZUNT-UHFFFAOYSA-N 0 0 401.186 4.139 20 30 HIEDRN N#Cc1ccc(-c2nnc(CNc3cc(Cl)ccc3OC[C@@H]3CCCO3)o2)cc1 ZINC000471626170 886343375 /nfs/dbraw/zinc/34/33/75/886343375.db2.gz PKDHGRCVUOZVKK-KRWDZBQOSA-N 0 0 410.861 4.432 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000471632548 886352329 /nfs/dbraw/zinc/35/23/29/886352329.db2.gz GRXFVZBYBAFWNN-MRXNPFEDSA-N 0 0 415.497 4.401 20 30 HIEDRN N#Cc1ccc(-c2nnc(CNc3cccc(C(=O)N4CCc5ccccc54)c3)o2)cc1 ZINC000471646966 886362369 /nfs/dbraw/zinc/36/23/69/886362369.db2.gz YCQXGGRJUXPBRJ-UHFFFAOYSA-N 0 0 421.460 4.423 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](C)Sc4ccccc43)C2)n1 ZINC000471650209 886365963 /nfs/dbraw/zinc/36/59/63/886365963.db2.gz VPUJLDXQTJWJCJ-HKUYNNGSSA-N 0 0 406.555 4.396 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC(CCc4ccccc4)CC3)C2)n1 ZINC000471689250 886397975 /nfs/dbraw/zinc/39/79/75/886397975.db2.gz RPXHGPROIFEFKO-XMMPIXPASA-N 0 0 416.569 4.350 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](COc3ccccc3)C2)o1 ZINC000504142296 913040993 /nfs/dbraw/zinc/04/09/93/913040993.db2.gz SFWZFULVGZPVIH-GOSISDBHSA-N 0 0 402.450 4.271 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000471724195 886435801 /nfs/dbraw/zinc/43/58/01/886435801.db2.gz HIXHKKMSERDJQC-UHFFFAOYSA-N 0 0 401.510 4.185 20 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ZINC000471855576 886625344 /nfs/dbraw/zinc/62/53/44/886625344.db2.gz GVXGKGSMOHIFNM-KRWDZBQOSA-N 0 0 419.485 4.342 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471871743 886650408 /nfs/dbraw/zinc/65/04/08/886650408.db2.gz MTNLOSVYUKWAEB-JOCHJYFZSA-N 0 0 411.509 4.010 20 30 HIEDRN CS(=O)(=O)c1cc(NC(=O)Nc2cccc(OCCCC#N)c2)ccc1Cl ZINC000471882436 886662655 /nfs/dbraw/zinc/66/26/55/886662655.db2.gz BGZIEBDBBVRYPD-UHFFFAOYSA-N 0 0 407.879 4.070 20 30 HIEDRN CCCn1ccc2cc(NC(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)ccc21 ZINC000471901640 886684418 /nfs/dbraw/zinc/68/44/18/886684418.db2.gz UEGPILYPLTVECV-HXUWFJFHSA-N 0 0 401.514 4.482 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3cccc(COC(C)(C)C)c3)C2)n1 ZINC000471907035 886690044 /nfs/dbraw/zinc/69/00/44/886690044.db2.gz SJMPNHAJAGLJRH-QFIPXVFZSA-N 0 0 420.557 4.110 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)CC(C)(C)c3ccccc3)C2)n1 ZINC000471911288 886697673 /nfs/dbraw/zinc/69/76/73/886697673.db2.gz PORKWONTOGDGJG-PZJWPPBQSA-N 0 0 404.558 4.351 20 30 HIEDRN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471919845 886707971 /nfs/dbraw/zinc/70/79/71/886707971.db2.gz OJASWTVRGFPPFB-PZJWPPBQSA-N 0 0 410.949 4.269 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc(Oc4ccncc4)c3)C2)n1 ZINC000471929592 886722935 /nfs/dbraw/zinc/72/29/35/886722935.db2.gz FHAWKQFYUDJHJM-IBGZPJMESA-N 0 0 413.481 4.304 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc4nn(C(C)C)cc4c3)C2)n1 ZINC000471931884 886724669 /nfs/dbraw/zinc/72/46/69/886724669.db2.gz MIDCXBSEXPHXTL-SFHVURJKSA-N 0 0 402.502 4.047 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H](C)Cc3ccc(Cl)cc3)C2)n1 ZINC000471934506 886730491 /nfs/dbraw/zinc/73/04/91/886730491.db2.gz WWYPMZRGQXDJIZ-XLIONFOSSA-N 0 0 410.949 4.221 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3SCCC#N)C2)n1 ZINC000471935235 886732869 /nfs/dbraw/zinc/73/28/69/886732869.db2.gz QVLSJWFJFGNIJP-SFHVURJKSA-N 0 0 405.527 4.123 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(-c4ccccc4)ns3)C2)n1 ZINC000471940548 886741201 /nfs/dbraw/zinc/74/12/01/886741201.db2.gz OZTBDAHUBSLYCU-SFHVURJKSA-N 0 0 403.511 4.240 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942930 886743389 /nfs/dbraw/zinc/74/33/89/886743389.db2.gz LTBNYTAUBUPNCL-CTNGQTDRSA-N 0 0 414.456 4.191 20 30 HIEDRN C=CCN(C(=O)c1ccc(N2CCCCC2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000471944900 886747069 /nfs/dbraw/zinc/74/70/69/886747069.db2.gz UHUQPZDYNBCRKT-IBGZPJMESA-N 0 0 416.529 4.042 20 30 HIEDRN Cc1cc(Br)cc2c(C(=O)Nc3cnn(-c4ncccc4C#N)c3)coc21 ZINC000472005236 886830088 /nfs/dbraw/zinc/83/00/88/886830088.db2.gz IXKMTHAGXYLVGY-UHFFFAOYSA-N 0 0 422.242 4.208 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000472015220 886837555 /nfs/dbraw/zinc/83/75/55/886837555.db2.gz CBTOHFIHZPTXFY-UHFFFAOYSA-N 0 0 412.436 4.320 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000472018821 886840879 /nfs/dbraw/zinc/84/08/79/886840879.db2.gz WGJXWPUNAFTGOQ-FXAWDEMLSA-N 0 0 414.292 4.147 20 30 HIEDRN CCc1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnn1-c1ccccc1C ZINC000472034017 886855047 /nfs/dbraw/zinc/85/50/47/886855047.db2.gz VPHPTWGIZPEWTQ-UHFFFAOYSA-N 0 0 414.444 4.192 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000472049986 886864478 /nfs/dbraw/zinc/86/44/78/886864478.db2.gz YZWSPYCXCGDZOF-JOCHJYFZSA-N 0 0 423.557 4.066 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000472055120 886866416 /nfs/dbraw/zinc/86/64/16/886866416.db2.gz NFWWZAGXTBUNFP-HSZRJFAPSA-N 0 0 405.542 4.008 20 30 HIEDRN N#C[C@@H](NC(=O)c1c[nH]c2ncc(Br)cc12)c1cccc(C(F)(F)F)c1 ZINC000472091562 886888486 /nfs/dbraw/zinc/88/84/86/886888486.db2.gz BFYBEFNRRPBJBC-CQSZACIVSA-N 0 0 423.192 4.339 20 30 HIEDRN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000472117308 886902131 /nfs/dbraw/zinc/90/21/31/886902131.db2.gz HKHVNSDAMBGFIA-JTQLQIEISA-N 0 0 414.270 4.155 20 30 HIEDRN N#Cc1cc(F)c(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(F)c1 ZINC000472138984 886933601 /nfs/dbraw/zinc/93/36/01/886933601.db2.gz UWKQVQXIWKZZGL-UHFFFAOYSA-N 0 0 409.367 4.158 20 30 HIEDRN C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000504226307 913097438 /nfs/dbraw/zinc/09/74/38/913097438.db2.gz NSPVZJNLTGTPIY-INIZCTEOSA-N 0 0 416.506 4.175 20 30 HIEDRN COc1ccc(CCNC(=O)c2occc2COc2cccc(C#N)c2)c(Cl)c1 ZINC000472167774 886967357 /nfs/dbraw/zinc/96/73/57/886967357.db2.gz BCAMDCLBHKXWKT-UHFFFAOYSA-N 0 0 410.857 4.365 20 30 HIEDRN N#CCCn1cc(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 ZINC000472241170 887049377 /nfs/dbraw/zinc/04/93/77/887049377.db2.gz PYQSMIXISCYABW-HXUWFJFHSA-N 0 0 401.466 4.303 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)c3cnn(-c4ccccc4)c3)cc2)c1 ZINC000504239510 913108877 /nfs/dbraw/zinc/10/88/77/913108877.db2.gz ORIAOTZNSGIEHM-UHFFFAOYSA-N 0 0 408.417 4.358 20 30 HIEDRN N#C[C@]1(NC(=O)COc2ccc(Br)cc2Cl)CCc2ccccc2C1 ZINC000472262099 887073995 /nfs/dbraw/zinc/07/39/95/887073995.db2.gz LPKPOKIQZIMFJN-IBGZPJMESA-N 0 0 419.706 4.049 20 30 HIEDRN N#C[C@]1(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CCc2ccccc2C1 ZINC000472269143 887085272 /nfs/dbraw/zinc/08/52/72/887085272.db2.gz SUQKDWSOQMKGPZ-QHCPKHFHSA-N 0 0 420.900 4.280 20 30 HIEDRN N#C[C@@]1(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)CCc2ccccc2C1 ZINC000472275036 887090820 /nfs/dbraw/zinc/09/08/20/887090820.db2.gz IIEVWLSMWODCRY-RUZDIDTESA-N 0 0 401.510 4.386 20 30 HIEDRN CN(C(=O)c1cccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1)c1ccccc1 ZINC000472278987 887096381 /nfs/dbraw/zinc/09/63/81/887096381.db2.gz QFFLIAJHBDXZAE-SANMLTNESA-N 0 0 409.489 4.144 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)NCC3CCN(c4ccccc4)CC3)CC2)c1 ZINC000472379724 887220478 /nfs/dbraw/zinc/22/04/78/887220478.db2.gz DMTFETRSNRMRTA-UHFFFAOYSA-N 0 0 418.541 4.028 20 30 HIEDRN CC(C)c1nc(Cn2cc(C(=O)N[C@H](CCC#N)c3ccccc3)ccc2=O)cs1 ZINC000472391320 887236806 /nfs/dbraw/zinc/23/68/06/887236806.db2.gz RGBINOAFLZMQEM-HXUWFJFHSA-N 0 0 420.538 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O=C(Nc1ccccc1C#Cc1ccccc1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000472877706 887729417 /nfs/dbraw/zinc/72/94/17/887729417.db2.gz QZVUFMMPHBFSOL-UHFFFAOYSA-N 0 0 413.477 4.106 20 30 HIEDRN CCc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)o1 ZINC000472942037 887791711 /nfs/dbraw/zinc/79/17/11/887791711.db2.gz IPNXEHGRFDVNMJ-FQEVSTJZSA-N 0 0 410.518 4.370 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)c2)cc1 ZINC000473003887 887835984 /nfs/dbraw/zinc/83/59/84/887835984.db2.gz WPBHNVGFLSUJNO-QHCPKHFHSA-N 0 0 416.525 4.213 20 30 HIEDRN N#Cc1cccc(NC(=O)CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000473019229 887845824 /nfs/dbraw/zinc/84/58/24/887845824.db2.gz DCHKBTURHJDRAY-UHFFFAOYSA-N 0 0 418.324 4.485 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000473172900 887950524 /nfs/dbraw/zinc/95/05/24/887950524.db2.gz JOXJEMHSGWFSGR-UHFFFAOYSA-N 0 0 413.443 4.249 20 30 HIEDRN Cc1ccccc1NC(=O)Cc1noc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000504374560 913202167 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HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2ccc(OCCOC)cc2Cl)cc1 ZINC000473927338 888806127 /nfs/dbraw/zinc/80/61/27/888806127.db2.gz BVBNUNTZRHNZME-UHFFFAOYSA-N 0 0 402.878 4.324 20 30 HIEDRN CSc1cccc(C)c1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000473961633 888832528 /nfs/dbraw/zinc/83/25/28/888832528.db2.gz XNENNTQYQADDHV-UHFFFAOYSA-N 0 0 408.527 4.471 20 30 HIEDRN C=CCNc1ncc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)s1 ZINC000474026802 888877338 /nfs/dbraw/zinc/87/73/38/888877338.db2.gz AOOZPSZBIYYWPV-UHFFFAOYSA-N 0 0 402.501 4.134 20 30 HIEDRN N#CC[C@H](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000474079014 888904311 /nfs/dbraw/zinc/90/43/11/888904311.db2.gz JGJKYDJZBUEDNC-GOSISDBHSA-N 0 0 401.432 4.442 20 30 HIEDRN N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000474136622 888957103 /nfs/dbraw/zinc/95/71/03/888957103.db2.gz OCWGXHXDYOWMHS-UHFFFAOYSA-N 0 0 419.868 4.159 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)c(Cl)c1 ZINC000474146391 888974848 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COC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000474852831 889709517 /nfs/dbraw/zinc/70/95/17/889709517.db2.gz LNRTWHRVLSLCGL-LJQANCHMSA-N 0 0 423.904 4.119 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000474859691 889716247 /nfs/dbraw/zinc/71/62/47/889716247.db2.gz WWRLDVYDNPENDI-IBGZPJMESA-N 0 0 408.351 4.019 20 30 HIEDRN COCCOC1CCC(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000474902643 889762165 /nfs/dbraw/zinc/76/21/65/889762165.db2.gz ZIKIIIIAKWXTNR-UHFFFAOYSA-N 0 0 422.525 4.492 20 30 HIEDRN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000474903911 889763784 /nfs/dbraw/zinc/76/37/84/889763784.db2.gz ZYJXPLRSZFZXHR-IBGZPJMESA-N 0 0 413.543 4.050 20 30 HIEDRN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000474910833 889771226 /nfs/dbraw/zinc/77/12/26/889771226.db2.gz MVVJORBBVLHDNH-UHFFFAOYSA-N 0 0 407.495 4.338 20 30 HIEDRN COc1ccc(F)c2[nH]c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc21 ZINC000474958745 889813644 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CC(C)n1cc(C#N)c(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 ZINC000475076934 889922979 /nfs/dbraw/zinc/92/29/79/889922979.db2.gz DIWFAZKNSHTZAF-UHFFFAOYSA-N 0 0 421.461 4.036 20 30 HIEDRN C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(C#N)cc1 ZINC000475105017 889952097 /nfs/dbraw/zinc/95/20/97/889952097.db2.gz AGACENOUHMRADO-IFXJQAMLSA-N 0 0 403.404 4.421 20 30 HIEDRN C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccc(C#N)cc1 ZINC000475105016 889952870 /nfs/dbraw/zinc/95/28/70/889952870.db2.gz AGACENOUHMRADO-AUUYWEPGSA-N 0 0 403.404 4.421 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCCCC[C@H]1c1noc(C)n1 ZINC000475163756 890029078 /nfs/dbraw/zinc/02/90/78/890029078.db2.gz NKJVGTYKRMRQOD-IBGZPJMESA-N 0 0 410.518 4.312 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000475166094 890030400 /nfs/dbraw/zinc/03/04/00/890030400.db2.gz UZDVLEXLIVAIBZ-UHFFFAOYSA-N 0 0 422.525 4.382 20 30 HIEDRN C=CCSCCNC(=O)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000475168888 890034388 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CC(C)(COc1ncccc1Br)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476437655 891349376 /nfs/dbraw/zinc/34/93/76/891349376.db2.gz RFUZNQIDWGYZRT-UHFFFAOYSA-N 0 0 416.319 4.233 20 30 HIEDRN CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000476473681 891383087 /nfs/dbraw/zinc/38/30/87/891383087.db2.gz XOKAURFYAMZUCS-FGZHOGPDSA-N 0 0 401.514 4.186 20 30 HIEDRN Cc1noc(CSc2ccc(C(=O)Nc3nc(C)c(SCC#N)s3)cc2)n1 ZINC000504832139 913552573 /nfs/dbraw/zinc/55/25/73/913552573.db2.gz RVGCIULUWSKGIT-UHFFFAOYSA-N 0 0 417.541 4.303 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ncccc1C(C)C ZINC000504832080 913553412 /nfs/dbraw/zinc/55/34/12/913553412.db2.gz RIMLGXBTRRYXBV-UHFFFAOYSA-N 0 0 418.291 4.255 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc([C@H](C)OC)no1 ZINC000476522379 891435390 /nfs/dbraw/zinc/43/53/90/891435390.db2.gz YYAIMHMXJWLZJZ-LBPRGKRZSA-N 0 0 421.910 4.079 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H](O)Cc1c(F)cccc1Cl)c1cccc(Cl)c1Cl ZINC000476529568 891440838 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HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000476729697 891697248 /nfs/dbraw/zinc/69/72/48/891697248.db2.gz UICPJTJHMMQSME-UHFFFAOYSA-N 0 0 409.848 4.273 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-c2csc(C)n2)o1 ZINC000476734366 891701655 /nfs/dbraw/zinc/70/16/55/891701655.db2.gz BUVCKPXGMIMPFC-UHFFFAOYSA-N 0 0 401.488 4.085 20 30 HIEDRN Cc1cncn1C1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000476759278 891730572 /nfs/dbraw/zinc/73/05/72/891730572.db2.gz VTORTVSQUAVOBE-UHFFFAOYSA-N 0 0 400.482 4.120 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1csc(-c2cnccn2)n1 ZINC000476767735 891742046 /nfs/dbraw/zinc/74/20/46/891742046.db2.gz XZHABKWTFQDPPP-UHFFFAOYSA-N 0 0 414.450 4.220 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)CN1C(=O)Cn2c3ccccc3cc2C1=O ZINC000476779177 891758046 /nfs/dbraw/zinc/75/80/46/891758046.db2.gz YWJOFVYRQAAEEC-UHFFFAOYSA-N 0 0 415.493 4.114 20 30 HIEDRN N#CC[C@@H](CC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccccc1 ZINC000476782082 891762407 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C=C(C)[C@H](NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1)c1ccc(F)c(F)c1 ZINC000476892152 891850239 /nfs/dbraw/zinc/85/02/39/891850239.db2.gz ZMGINEDPYUQZAH-NRFANRHFSA-N 0 0 411.456 4.279 20 30 HIEDRN C=C(C)[C@H](NC(=O)NCc1cc(OC)c(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000476896585 891854199 /nfs/dbraw/zinc/85/41/99/891854199.db2.gz RXCWXXXVQKAFSP-FQEVSTJZSA-N 0 0 406.429 4.107 20 30 HIEDRN C=C(C)[C@H](NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(F)c(F)c1 ZINC000476919719 891869830 /nfs/dbraw/zinc/86/98/30/891869830.db2.gz UCXWSTOXGQLNQA-IERDGZPVSA-N 0 0 401.457 4.169 20 30 HIEDRN N#CC1(F)CCN(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000476924155 891871373 /nfs/dbraw/zinc/87/13/73/891871373.db2.gz FFOFSASNNAIXRV-UHFFFAOYSA-N 0 0 421.451 4.216 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)c1ccc(F)c(F)c1 ZINC000476990022 891916601 /nfs/dbraw/zinc/91/66/01/891916601.db2.gz ZLJHSQIILSTKTF-KSFYIVLOSA-N 0 0 415.484 4.416 20 30 HIEDRN CCc1cnc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)s1 ZINC000476995584 891922357 /nfs/dbraw/zinc/92/23/57/891922357.db2.gz MSRABRWMHIITKM-UHFFFAOYSA-N 0 0 407.543 4.055 20 30 HIEDRN CN(Cc1ccccc1Br)C(=O)CSCc1ccc(F)cc1C#N ZINC000476996468 891924317 /nfs/dbraw/zinc/92/43/17/891924317.db2.gz OKTXGEMMFMBWBU-UHFFFAOYSA-N 0 0 407.308 4.352 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000477026239 891952548 /nfs/dbraw/zinc/95/25/48/891952548.db2.gz ZLZZPKKMLNHHNR-UHFFFAOYSA-N 0 0 421.549 4.331 20 30 HIEDRN COC(=O)[C@H](Cc1ccc(C)cc1)S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477052763 891983001 /nfs/dbraw/zinc/98/30/01/891983001.db2.gz UOBBWZAQTJTMMW-LIRRHRJNSA-N 0 0 416.930 4.365 20 30 HIEDRN COC(=O)c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)cc(Br)c1F ZINC000477080847 892014151 /nfs/dbraw/zinc/01/41/51/892014151.db2.gz AMVBMXMAZYKUSP-ZDUSSCGKSA-N 0 0 419.250 4.401 20 30 HIEDRN C=C(C)[C@H](NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000477079058 892014644 /nfs/dbraw/zinc/01/46/44/892014644.db2.gz YWEXEHAHYFTWKW-UNMCSNQZSA-N 0 0 413.468 4.245 20 30 HIEDRN C=CCN(C(=O)NCC(C)(C)C1=CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000477102956 892035231 /nfs/dbraw/zinc/03/52/31/892035231.db2.gz SLNINYNJBRHOIQ-GOSISDBHSA-N 0 0 408.550 4.448 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)c1ccc(F)c(F)c1 ZINC000477169447 892091380 /nfs/dbraw/zinc/09/13/80/892091380.db2.gz JQUOBHUETSRCDO-IIBYNOLFSA-N 0 0 401.457 4.169 20 30 HIEDRN C[C@@H]1CN(c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cn2)C[C@H](C)O1 ZINC000477173119 892094674 /nfs/dbraw/zinc/09/46/74/892094674.db2.gz AXIJFHLROBZTMZ-HDICACEKSA-N 0 0 417.513 4.206 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000477182863 892102166 /nfs/dbraw/zinc/10/21/66/892102166.db2.gz PKFRIUAOEJLXJR-UHFFFAOYSA-N 0 0 418.722 4.327 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC000477212988 892143764 /nfs/dbraw/zinc/14/37/64/892143764.db2.gz DXFWDTIUOSEEAK-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN CC[C@H](CN(CC)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccccc1 ZINC000477224859 892159405 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/nfs/dbraw/zinc/17/58/21/902175821.db2.gz FHLOAACKUWILPF-DEOSSOPVSA-N 0 0 411.505 4.434 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000487392316 902177997 /nfs/dbraw/zinc/17/79/97/902177997.db2.gz KCCCIXRBABHRBY-INIZCTEOSA-N 0 0 408.527 4.116 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccccc1N1CCCC1=O ZINC000487404053 902186046 /nfs/dbraw/zinc/18/60/46/902186046.db2.gz ZHWRNWCMZJEHQD-INIZCTEOSA-N 0 0 408.527 4.116 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)c2)cc1 ZINC000487508460 902227586 /nfs/dbraw/zinc/22/75/86/902227586.db2.gz ZUXQXEZXVVCGAY-NRFANRHFSA-N 0 0 415.424 4.025 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1 ZINC000487512559 902228311 /nfs/dbraw/zinc/22/83/11/902228311.db2.gz UTEUQFRWIJYZLC-JOCHJYFZSA-N 0 0 405.885 4.352 20 30 HIEDRN N#CCCC[C@H](NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)c1ccccc1 ZINC000487511747 902228693 /nfs/dbraw/zinc/22/86/93/902228693.db2.gz FQOQQRIYYGVKMH-QUCCMNQESA-N 0 0 419.554 4.459 20 30 HIEDRN C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000487522976 902232507 /nfs/dbraw/zinc/23/25/07/902232507.db2.gz UZLQIYNBTWDNSD-DOMZBBRYSA-N 0 0 405.285 4.184 20 30 HIEDRN C=CC[C@H](C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000487528262 902235213 /nfs/dbraw/zinc/23/52/13/902235213.db2.gz SMVDUPRZECFIAZ-GCJKJVERSA-N 0 0 414.571 4.254 20 30 HIEDRN C=CC[C@H](C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000487528261 902235480 /nfs/dbraw/zinc/23/54/80/902235480.db2.gz SMVDUPRZECFIAZ-AVRDEDQJSA-N 0 0 414.571 4.254 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000505952514 914605938 /nfs/dbraw/zinc/60/59/38/914605938.db2.gz BTCBDQJHIZHKAU-HOTGVXAUSA-N 0 0 422.337 4.431 20 30 HIEDRN COc1cccc(-c2noc(SCC(=O)N[C@@H](CCCC#N)c3ccccc3)n2)c1 ZINC000487538495 902241440 /nfs/dbraw/zinc/24/14/40/902241440.db2.gz FUHQIRDCOWQWRM-IBGZPJMESA-N 0 0 422.510 4.389 20 30 HIEDRN Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000487620797 902253881 /nfs/dbraw/zinc/25/38/81/902253881.db2.gz UXSZLEMXSQPQBA-HXUWFJFHSA-N 0 0 418.453 4.106 20 30 HIEDRN COc1nc(C)c(Br)cc1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487629838 902260744 /nfs/dbraw/zinc/26/07/44/902260744.db2.gz SUCNLZGTENEQSK-QGZVFWFLSA-N 0 0 402.292 4.326 20 30 HIEDRN COc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1OC(F)F ZINC000505953494 914608747 /nfs/dbraw/zinc/60/87/47/914608747.db2.gz IDWIHNPUNSDKKJ-CYBMUJFWSA-N 0 0 400.303 4.310 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)s2)[C@H]1C#N ZINC000487651643 902274064 /nfs/dbraw/zinc/27/40/64/902274064.db2.gz ZHXPPRLUTHWCEZ-ROUUACIJSA-N 0 0 412.559 4.057 20 30 HIEDRN C[C@H](Cc1ccncc1)Nc1cc(N[C@@H](C)Cc2ccncc2)cc(C#N)c1[N+](=O)[O-] ZINC000487685714 902290926 /nfs/dbraw/zinc/29/09/26/902290926.db2.gz HWHMRTADARMFOU-DLBZAZTESA-N 0 0 416.485 4.343 20 30 HIEDRN CCN(C(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1Cl)C(C)C ZINC000487698141 902298326 /nfs/dbraw/zinc/29/83/26/902298326.db2.gz SVFYVSJAHQAIKK-OAHLLOKOSA-N 0 0 413.905 4.488 20 30 HIEDRN COC(=O)c1csc(-c2cccc(CNc3c(C#N)cnc4ccc(C)cc43)c2)n1 ZINC000487725914 902319276 /nfs/dbraw/zinc/31/92/76/902319276.db2.gz WXVAPQTUXRHVLE-UHFFFAOYSA-N 0 0 414.490 4.359 20 30 HIEDRN N#CCCN(C(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC000487762292 902347684 /nfs/dbraw/zinc/34/76/84/902347684.db2.gz PQMIFLLFTGHTJY-UHFFFAOYSA-N 0 0 424.504 4.248 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000487817941 902384686 /nfs/dbraw/zinc/38/46/86/902384686.db2.gz MDHFQIBPMPHGIT-NSHDSACASA-N 0 0 413.275 4.088 20 30 HIEDRN CC(C)(C)C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1 ZINC000487823190 902388121 /nfs/dbraw/zinc/38/81/21/902388121.db2.gz OWNFYVNGHCWCLU-WOJBJXKFSA-N 0 0 410.493 4.433 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2ccccc2)CC2(CO)CC2)cc1Br ZINC000487857326 902408647 /nfs/dbraw/zinc/40/86/47/902408647.db2.gz ONRYLIAUEGNOTN-UHFFFAOYSA-N 0 0 414.303 4.127 20 30 HIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000487889186 902431602 /nfs/dbraw/zinc/43/16/02/902431602.db2.gz VXQSEDJVFUDGGD-UHFFFAOYSA-N 0 0 420.416 4.193 20 30 HIEDRN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487909144 902444109 /nfs/dbraw/zinc/44/41/09/902444109.db2.gz FCPZOHIIMGDRMD-UHFFFAOYSA-N 0 0 421.682 4.077 20 30 HIEDRN CCc1ccc([C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CCO2)cc1 ZINC000487924803 902457235 /nfs/dbraw/zinc/45/72/35/902457235.db2.gz UUYXZHGUHTUYRH-LJQANCHMSA-N 0 0 414.303 4.489 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)cc1Br ZINC000487929265 902459087 /nfs/dbraw/zinc/45/90/87/902459087.db2.gz AFIGCDCALUNMMC-LJQANCHMSA-N 0 0 414.303 4.126 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1Br ZINC000487932051 902460996 /nfs/dbraw/zinc/46/09/96/902460996.db2.gz GILBHGVZIZOMCF-KRWDZBQOSA-N 0 0 404.239 4.065 20 30 HIEDRN CN(C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1c(F)cccc1F ZINC000487937474 902467553 /nfs/dbraw/zinc/46/75/53/902467553.db2.gz YPJXTMXHQBZZKM-MRXNPFEDSA-N 0 0 423.261 4.023 20 30 HIEDRN Cc1nc(Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)ccc1C#N ZINC000487940487 902469466 /nfs/dbraw/zinc/46/94/66/902469466.db2.gz MSCQZGRHOIPIPC-UHFFFAOYSA-N 0 0 410.934 4.243 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)cc1Br ZINC000487966047 902492475 /nfs/dbraw/zinc/49/24/75/902492475.db2.gz HPXRFQXBLZFAMX-MAUKXSAKSA-N 0 0 400.276 4.220 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H](c2ccsc2)O1 ZINC000487965634 902492555 /nfs/dbraw/zinc/49/25/55/902492555.db2.gz GLGMIYRIWADZNU-BZNIZROVSA-N 0 0 406.305 4.376 20 30 HIEDRN COc1cc2c(cc1F)CN(C(=O)Nc1ccc(C#N)c(Br)c1)CC2 ZINC000487968132 902494551 /nfs/dbraw/zinc/49/45/51/902494551.db2.gz LYVBSOOGMCISCI-UHFFFAOYSA-N 0 0 404.239 4.059 20 30 HIEDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000487975381 902500724 /nfs/dbraw/zinc/50/07/24/902500724.db2.gz BTFNUGKVBCTIAX-UHFFFAOYSA-N 0 0 415.449 4.313 20 30 HIEDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487996962 902519880 /nfs/dbraw/zinc/51/98/80/902519880.db2.gz VEJYTFFKCVCTDL-PIGZYNQJSA-N 0 0 406.255 4.358 20 30 HIEDRN N#Cc1ccc(NC(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1Br ZINC000487998641 902521697 /nfs/dbraw/zinc/52/16/97/902521697.db2.gz ZEHHRJBCKCKEJB-SFHVURJKSA-N 0 0 414.303 4.186 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1Br ZINC000488004553 902525132 /nfs/dbraw/zinc/52/51/32/902525132.db2.gz GJOVUFPLXBOJBN-HXUWFJFHSA-N 0 0 412.287 4.027 20 30 HIEDRN N#Cc1ccc(NC(=O)NCC2CCN(c3ccccc3)CC2)cc1Br ZINC000488011874 902531645 /nfs/dbraw/zinc/53/16/45/902531645.db2.gz ZGHWYHUFWSSJGE-UHFFFAOYSA-N 0 0 413.319 4.359 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1SCCC(=O)Nc1cc(F)cc(F)c1 ZINC000488030467 902549989 /nfs/dbraw/zinc/54/99/89/902549989.db2.gz YVYVSGUVTCNQPI-UHFFFAOYSA-N 0 0 407.467 4.043 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCCC)[C@H]2CCC[C@H](C)C2)cc1 ZINC000488068535 902580360 /nfs/dbraw/zinc/58/03/60/902580360.db2.gz VRJPOTBCLLSKIQ-PXNSSMCTSA-N 0 0 414.550 4.140 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCCC)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000488068537 902580873 /nfs/dbraw/zinc/58/08/73/902580873.db2.gz VRJPOTBCLLSKIQ-XLIONFOSSA-N 0 0 414.550 4.140 20 30 HIEDRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@H](C#N)c1ccccc1F ZINC000505977614 914640521 /nfs/dbraw/zinc/64/05/21/914640521.db2.gz UWSBPOQUSODRDN-QGZVFWFLSA-N 0 0 410.449 4.447 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N[C@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)c2c1 ZINC000488091780 902596804 /nfs/dbraw/zinc/59/68/04/902596804.db2.gz SZAHVOKPPLWJMS-GOSISDBHSA-N 0 0 413.525 4.266 20 30 HIEDRN CCCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[C@H](C)C1 ZINC000488096907 902600297 /nfs/dbraw/zinc/60/02/97/902600297.db2.gz GAVUUUCPUNGYMY-HOCLYGCPSA-N 0 0 407.461 4.306 20 30 HIEDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](C#N)c1ccccc1F ZINC000505978147 914641169 /nfs/dbraw/zinc/64/11/69/914641169.db2.gz ZBILIJBOISUTAL-MEBBXXQBSA-N 0 0 411.658 4.390 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000488100938 902604061 /nfs/dbraw/zinc/60/40/61/902604061.db2.gz TWJMTVSXISSFSV-FQEVSTJZSA-N 0 0 417.440 4.316 20 30 HIEDRN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccc(C#N)c2)c1 ZINC000488114833 902614722 /nfs/dbraw/zinc/61/47/22/902614722.db2.gz SMRXAMAKRUWJHG-UHFFFAOYSA-N 0 0 422.488 4.409 20 30 HIEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000505981757 914645012 /nfs/dbraw/zinc/64/50/12/914645012.db2.gz MXFLADPWGZRVML-GOSISDBHSA-N 0 0 417.431 4.476 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CNc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488171375 902661100 /nfs/dbraw/zinc/66/11/00/902661100.db2.gz YLGRSYKVVSSRRB-CYBMUJFWSA-N 0 0 420.296 4.331 20 30 HIEDRN N#Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c(F)c1 ZINC000488214985 902696519 /nfs/dbraw/zinc/69/65/19/902696519.db2.gz KEPJXENWDDSIAG-HNNXBMFYSA-N 0 0 424.881 4.099 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000488221675 902701538 /nfs/dbraw/zinc/70/15/38/902701538.db2.gz SJRMYSCTRUEBSO-GOSISDBHSA-N 0 0 412.534 4.302 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc4cn(C(C)C)nc4c3)C2)n1 ZINC000488224705 902704816 /nfs/dbraw/zinc/70/48/16/902704816.db2.gz VARFTTWRPBQYFR-IBGZPJMESA-N 0 0 402.502 4.047 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)c2ccc(C#N)c(C)n2)cc1OC ZINC000488291352 902753018 /nfs/dbraw/zinc/75/30/18/902753018.db2.gz CXFAEJARCUWWPW-UHFFFAOYSA-N 0 0 421.522 4.226 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000488293560 902755724 /nfs/dbraw/zinc/75/57/24/902755724.db2.gz JMJVIVVZIVPJIZ-WIOPSUGQSA-N 0 0 423.516 4.263 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000505988141 914655871 /nfs/dbraw/zinc/65/58/71/914655871.db2.gz XDOBYZWDDSAEPJ-JKSUJKDBSA-N 0 0 421.444 4.143 20 30 HIEDRN C=CC[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000488335423 902770959 /nfs/dbraw/zinc/77/09/59/902770959.db2.gz 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HIEDRN CN(c1ccccc1)c1ccc(C(=O)NCCSCc2ccccc2C#N)cn1 ZINC000492375829 904840955 /nfs/dbraw/zinc/84/09/55/904840955.db2.gz NNLLXGPLWZZITG-UHFFFAOYSA-N 0 0 402.523 4.384 20 30 HIEDRN CC(C)c1cccc(NC(=O)CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000492437020 904849643 /nfs/dbraw/zinc/84/96/43/904849643.db2.gz HPZVGVVJCLTHIF-UHFFFAOYSA-N 0 0 410.417 4.113 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC3(CC2)OCCc2ccsc23)c1C ZINC000492516421 904862988 /nfs/dbraw/zinc/86/29/88/904862988.db2.gz TUJYPLHEPITHRY-UHFFFAOYSA-N 0 0 423.582 4.176 20 30 HIEDRN N#Cc1ccc(Br)c(CN2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000492646954 904881477 /nfs/dbraw/zinc/88/14/77/904881477.db2.gz CKGNOLSCJFBPOH-IBGZPJMESA-N 0 0 412.331 4.105 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1sc(-c2ccccc2)nc1C ZINC000492812673 904910560 /nfs/dbraw/zinc/91/05/60/904910560.db2.gz ZJRASZFKLDOWHR-UHFFFAOYSA-N 0 0 411.527 4.492 20 30 HIEDRN Cc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)s1 ZINC000493470932 905132342 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C=CCn1c(Sc2ncc(C#N)cc2Cl)nnc1[C@H]1COc2ccccc2O1 ZINC000513644609 921967689 /nfs/dbraw/zinc/96/76/89/921967689.db2.gz DBPRKMVJPRZTNF-MRXNPFEDSA-N 0 0 411.874 4.048 20 30 HIEDRN CC(C)(C)CCOc1cnccc1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000513649185 921971806 /nfs/dbraw/zinc/97/18/06/921971806.db2.gz BZCLJZKCISWAAS-QFIPXVFZSA-N 0 0 422.529 4.051 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000513655706 921977436 /nfs/dbraw/zinc/97/74/36/921977436.db2.gz UJPNQOGPIXAQOE-LLVKDONJSA-N 0 0 418.400 4.180 20 30 HIEDRN N#C[C@@H]1CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C[C@@]12C(=O)Nc1ccccc12 ZINC000513660028 921982961 /nfs/dbraw/zinc/98/29/61/921982961.db2.gz JGMXZANRBCAJNE-WXTAPIANSA-N 0 0 420.472 4.135 20 30 HIEDRN CCc1ccc(Cl)c(CC)c1NC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513661381 921984203 /nfs/dbraw/zinc/98/42/03/921984203.db2.gz RVQABTKGZJRYQH-CMJOXMDJSA-N 0 0 422.916 4.342 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1 ZINC000513663891 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922645137 /nfs/dbraw/zinc/64/51/37/922645137.db2.gz AUMBKGGLEFFCRE-UHFFFAOYSA-N 0 0 420.538 4.226 20 30 HIEDRN C[C@H](NC(=O)c1ccccc1NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000514497636 922650111 /nfs/dbraw/zinc/65/01/11/922650111.db2.gz IKUZOBWFYMQYBI-IBGZPJMESA-N 0 0 418.541 4.274 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000514514361 922665944 /nfs/dbraw/zinc/66/59/44/922665944.db2.gz GWLJURGUAAPNJI-UHFFFAOYSA-N 0 0 404.514 4.048 20 30 HIEDRN N#CCc1ccnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)c1 ZINC000514642821 922741848 /nfs/dbraw/zinc/74/18/48/922741848.db2.gz VLWORZQKDYLSMF-UXPWSPDFSA-N 0 0 422.916 4.213 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000514688029 922754642 /nfs/dbraw/zinc/75/46/42/922754642.db2.gz CURYTIITLRKCAE-UHFFFAOYSA-N 0 0 413.930 4.429 20 30 HIEDRN C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000514695237 922761338 /nfs/dbraw/zinc/76/13/38/922761338.db2.gz ZFBVSAJFJKBODR-UHFFFAOYSA-N 0 0 409.877 4.179 20 30 HIEDRN N#Cc1cncc(S(=O)(=O)[N-]c2nc3ccc(Oc4ccccc4)cc3s2)c1 ZINC000514698818 922763585 /nfs/dbraw/zinc/76/35/85/922763585.db2.gz KSPVSGOFQPGDCH-UHFFFAOYSA-N 0 0 408.464 4.156 20 30 HIEDRN C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H](CCOC)C1 ZINC000514817841 922812685 /nfs/dbraw/zinc/81/26/85/922812685.db2.gz FEBUQPRZCUVGNW-QZTJIDSGSA-N 0 0 402.514 4.386 20 30 HIEDRN C=CCNc1nnc(SCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)s1 ZINC000514876292 922827806 /nfs/dbraw/zinc/82/78/06/922827806.db2.gz BOTFXARZGOEKQB-VIFPVBQESA-N 0 0 404.590 4.140 20 30 HIEDRN CC[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000514885164 922831489 /nfs/dbraw/zinc/83/14/89/922831489.db2.gz URJVPCPUCYJHCT-SFHVURJKSA-N 0 0 421.316 4.160 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3nccn3Cc3ccccc3Cl)on2)c1 ZINC000514886754 922832260 /nfs/dbraw/zinc/83/22/60/922832260.db2.gz HZLDOCQZIHSFEP-UHFFFAOYSA-N 0 0 403.829 4.364 20 30 HIEDRN C[C@H](NC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1)c1ccc(C#N)cc1 ZINC000514968048 922859304 /nfs/dbraw/zinc/85/93/04/922859304.db2.gz BJNIJDNIQLPDLQ-WFASDCNBSA-N 0 0 407.396 4.044 20 30 HIEDRN CSCC[C@](C)(C#N)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000514970352 922860323 /nfs/dbraw/zinc/86/03/23/922860323.db2.gz VTIKBJUTFKODLA-GOSISDBHSA-N 0 0 409.964 4.070 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000514974316 922861289 /nfs/dbraw/zinc/86/12/89/922861289.db2.gz KOCRAQXUCLATSM-UHFFFAOYSA-N 0 0 402.470 4.308 20 30 HIEDRN Cc1cnn([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)C2)c1 ZINC000514975232 922862288 /nfs/dbraw/zinc/86/22/88/922862288.db2.gz DRJMSOHBODELKY-GOSISDBHSA-N 0 0 405.433 4.474 20 30 HIEDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000514978485 922864282 /nfs/dbraw/zinc/86/42/82/922864282.db2.gz HBNYLFFVXYOORH-UHFFFAOYSA-N 0 0 416.510 4.492 20 30 HIEDRN CC(=O)N(c1nc(Cn2cc3c(c(C#N)c2=O)CCC3)cs1)c1cccc(Cl)c1 ZINC000514991234 922870913 /nfs/dbraw/zinc/87/09/13/922870913.db2.gz FMOIBAVEDQCUFP-UHFFFAOYSA-N 0 0 424.913 4.051 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C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000558989534 943791236 /nfs/dbraw/zinc/79/12/36/943791236.db2.gz WYQMNZZFFCPVGI-MGPUTAFESA-N 0 0 418.488 4.278 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1cc(OC)c(OC)cc1SC ZINC000558991484 943792478 /nfs/dbraw/zinc/79/24/78/943792478.db2.gz KAWIQEAGAUQPKF-UHFFFAOYSA-N 0 0 414.531 4.490 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000558993498 943793090 /nfs/dbraw/zinc/79/30/90/943793090.db2.gz CUNHHZRQOGJRBR-SFHVURJKSA-N 0 0 421.570 4.380 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC000558993508 943793101 /nfs/dbraw/zinc/79/31/01/943793101.db2.gz CVWIRANCBPOENC-QFBILLFUSA-N 0 0 402.514 4.385 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000558994756 943793289 /nfs/dbraw/zinc/79/32/89/943793289.db2.gz JESNIOUGQBWBBO-IBGZPJMESA-N 0 0 419.529 4.106 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC000558993507 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Cc1cccc(COc2ccc(CNC(=O)C(=O)Nc3cc(C#N)ccc3C)cc2)c1 ZINC000063826388 851773286 /nfs/dbraw/zinc/77/32/86/851773286.db2.gz QBLFSUIWHAWJDZ-UHFFFAOYSA-N 0 0 413.477 4.009 20 30 HIEDRN CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2C)C(C)C)cc1OCC ZINC000063824498 851773668 /nfs/dbraw/zinc/77/36/68/851773668.db2.gz FXVOYHODDXVNBF-QFIPXVFZSA-N 0 0 423.513 4.116 20 30 HIEDRN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cc(C#N)ccc1C ZINC000063962264 851804429 /nfs/dbraw/zinc/80/44/29/851804429.db2.gz WUHAGYUGPZFPNH-UHFFFAOYSA-N 0 0 413.403 4.264 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1SCc1cn2ccsc2n1 ZINC000064308253 851867603 /nfs/dbraw/zinc/86/76/03/851867603.db2.gz ICVWLWROLUBWCG-UHFFFAOYSA-N 0 0 401.492 4.184 20 30 HIEDRN Cc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000064312179 851868709 /nfs/dbraw/zinc/86/87/09/851868709.db2.gz ZNIWWYPQTIHSTF-UHFFFAOYSA-N 0 0 421.478 4.283 20 30 HIEDRN C=CCn1c(SCc2csc(CC(=O)OC(C)C)n2)nnc1-c1ccoc1C ZINC000064338610 851874661 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HIEDRN C=CCn1c(SCCCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccco1 ZINC000071833711 852414852 /nfs/dbraw/zinc/41/48/52/852414852.db2.gz MRHZPOSYBZJTFF-UHFFFAOYSA-N 0 0 410.499 4.438 20 30 HIEDRN C[C@H](Sc1cc(C#N)ccn1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000071918257 852430269 /nfs/dbraw/zinc/43/02/69/852430269.db2.gz HHDAQOQNNLATLA-JTQLQIEISA-N 0 0 402.451 4.474 20 30 HIEDRN C=CCn1c(SCCOCC(F)(F)F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000071944977 852441845 /nfs/dbraw/zinc/44/18/45/852441845.db2.gz RXGOIVOTERJHFY-LLVKDONJSA-N 0 0 418.506 4.440 20 30 HIEDRN C=CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)c1 ZINC000072022160 852470081 /nfs/dbraw/zinc/47/00/81/852470081.db2.gz LZCPRIWATFHSDU-UHFFFAOYSA-N 0 0 422.934 4.188 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000072025328 852471262 /nfs/dbraw/zinc/47/12/62/852471262.db2.gz BSODYENWRRIKGA-LJQANCHMSA-N 0 0 420.494 4.459 20 30 HIEDRN C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000072040914 852482346 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HIEDRN CN(C(=O)CNc1cccc(C#N)c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000426453698 856297936 /nfs/dbraw/zinc/29/79/36/856297936.db2.gz IQEGNYYKNGKMIC-QGZVFWFLSA-N 0 0 416.344 4.428 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H](COC)C3)sc2C1 ZINC000426461382 856302819 /nfs/dbraw/zinc/30/28/19/856302819.db2.gz OZAFNGAUELUJDN-CVEARBPZSA-N 0 0 403.592 4.068 20 30 HIEDRN C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000426509763 856326286 /nfs/dbraw/zinc/32/62/86/856326286.db2.gz UNWTYWLMOVPVPF-KJCUYJGMSA-N 0 0 407.539 4.439 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C3CCC3)cc2)cc1C(F)(F)F ZINC000426521320 856331788 /nfs/dbraw/zinc/33/17/88/856331788.db2.gz GVROMTDSHQRCES-UHFFFAOYSA-N 0 0 401.388 4.099 20 30 HIEDRN CC(C)(C)Cc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n[nH]1 ZINC000426577138 856356306 /nfs/dbraw/zinc/35/63/06/856356306.db2.gz NTUHVYGNJWWVIN-UHFFFAOYSA-N 0 0 417.469 4.239 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000426627577 856380661 /nfs/dbraw/zinc/38/06/61/856380661.db2.gz HRVGGIOIRZFSPE-INIZCTEOSA-N 0 0 411.315 4.388 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1nc(C(F)(F)F)cs1 ZINC000426635941 856386133 /nfs/dbraw/zinc/38/61/33/856386133.db2.gz CJIMJSAOGVDIRM-LBPRGKRZSA-N 0 0 424.448 4.348 20 30 HIEDRN Cc1ccc(C[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C(=O)[O-])cc1 ZINC000426639674 856388387 /nfs/dbraw/zinc/38/83/87/856388387.db2.gz XMJFZZKUMOVJDZ-DEOSSOPVSA-N 0 0 414.505 4.479 20 30 HIEDRN N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](CC(=O)[O-])c3ccccc3)c2)c1 ZINC000426664941 856401656 /nfs/dbraw/zinc/40/16/56/856401656.db2.gz UJBRSZKZKNHPHL-HSZRJFAPSA-N 0 0 400.478 4.485 20 30 HIEDRN CN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000426681704 856410815 /nfs/dbraw/zinc/41/08/15/856410815.db2.gz BXIVFVZCUOCYJT-JOCHJYFZSA-N 0 0 411.461 4.435 20 30 HIEDRN N#Cc1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437424914 862801001 /nfs/dbraw/zinc/80/10/01/862801001.db2.gz GYWWTUBQFPMAQK-UHFFFAOYSA-N 0 0 418.419 4.085 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426712240 856428244 /nfs/dbraw/zinc/42/82/44/856428244.db2.gz VENGEJAWYUHARB-SFHVURJKSA-N 0 0 420.303 4.246 20 30 HIEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@H](Cc3ccc(F)cc3)C(=O)[O-])c2)c1 ZINC000426733771 856441786 /nfs/dbraw/zinc/44/17/86/856441786.db2.gz ZJZFFLDQURPAIS-HSZRJFAPSA-N 0 0 404.441 4.062 20 30 HIEDRN C=CCOc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1Cl ZINC000426733413 856442081 /nfs/dbraw/zinc/44/20/81/856442081.db2.gz MPQISBPDWKAGOW-FQEVSTJZSA-N 0 0 411.889 4.396 20 30 HIEDRN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000426742090 856446878 /nfs/dbraw/zinc/44/68/78/856446878.db2.gz NYRWWNSMGBEBGE-CYBMUJFWSA-N 0 0 414.296 4.340 20 30 HIEDRN Cc1nc([C@H]2CCCN2CC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 ZINC000426755302 856458993 /nfs/dbraw/zinc/45/89/93/856458993.db2.gz YEKBETLHNFPMOV-RDTXWAMCSA-N 0 0 400.573 4.479 20 30 HIEDRN Cc1nc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cs1 ZINC000426774891 856470445 /nfs/dbraw/zinc/47/04/45/856470445.db2.gz QLBMLNGXDZVTJS-LJQANCHMSA-N 0 0 402.951 4.497 20 30 HIEDRN COc1ccc([C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C(=O)[O-])cc1F ZINC000426778487 856473136 /nfs/dbraw/zinc/47/31/36/856473136.db2.gz XYGYCAMQLAJQKP-HSZRJFAPSA-N 0 0 420.440 4.200 20 30 HIEDRN COc1ccc([C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C(=O)[O-])cc1F ZINC000426820362 856496193 /nfs/dbraw/zinc/49/61/93/856496193.db2.gz KWKMSVPCYDJVQA-QHCPKHFHSA-N 0 0 420.440 4.200 20 30 HIEDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1OCCCC#N ZINC000426822669 856498594 /nfs/dbraw/zinc/49/85/94/856498594.db2.gz FACQQHDPBMUVRR-FQEVSTJZSA-N 0 0 402.878 4.255 20 30 HIEDRN C=C[C@@H](CO)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000426845914 856511064 /nfs/dbraw/zinc/51/10/64/856511064.db2.gz PZFPVLMCFCLDIO-LBPRGKRZSA-N 0 0 412.389 4.042 20 30 HIEDRN CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccccc1OCC(=O)N(C)C ZINC000426888700 856528138 /nfs/dbraw/zinc/52/81/38/856528138.db2.gz JFLFRAVXMUQPNO-HNNXBMFYSA-N 0 0 406.408 4.002 20 30 HIEDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000426906223 856536119 /nfs/dbraw/zinc/53/61/19/856536119.db2.gz BQFOTPSWHCEHSF-IBGZPJMESA-N 0 0 408.458 4.031 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCCc2cc3ccccc3[nH]2)ccc1Oc1ccccc1 ZINC000426924752 856544313 /nfs/dbraw/zinc/54/43/13/856544313.db2.gz IAPCEJGCBUWWTR-UHFFFAOYSA-N 0 0 424.460 4.129 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000426950245 856559167 /nfs/dbraw/zinc/55/91/67/856559167.db2.gz CFCRHSWVHKSOKS-YADHBBJMSA-N 0 0 409.486 4.430 20 30 HIEDRN N#CCCn1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437440451 862810482 /nfs/dbraw/zinc/81/04/82/862810482.db2.gz TVCBHQMUEPXCCH-WGSAOQKQSA-N 0 0 415.453 4.048 20 30 HIEDRN CCc1nc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000426967101 856568482 /nfs/dbraw/zinc/56/84/82/856568482.db2.gz ZCYMCGLTKOXIEK-AWEZNQCLSA-N 0 0 418.522 4.369 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1cccc(F)c1F ZINC000426986432 856580350 /nfs/dbraw/zinc/58/03/50/856580350.db2.gz KXXKHDJGNRXGRR-CQSZACIVSA-N 0 0 421.403 4.445 20 30 HIEDRN N#C[C@H](NC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000427004623 856590605 /nfs/dbraw/zinc/59/06/05/856590605.db2.gz JFYVLQYKIYPVCZ-JKSUJKDBSA-N 0 0 417.214 4.297 20 30 HIEDRN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cn1 ZINC000427017547 856597234 /nfs/dbraw/zinc/59/72/34/856597234.db2.gz UDMNEECUKKYNSZ-HNNXBMFYSA-N 0 0 415.453 4.095 20 30 HIEDRN C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000427076915 856622393 /nfs/dbraw/zinc/62/23/93/856622393.db2.gz JWSUZVQRDIVWHO-LBPRGKRZSA-N 0 0 422.304 4.022 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000427132746 856658812 /nfs/dbraw/zinc/65/88/12/856658812.db2.gz GUXBJFMDFBITPF-UHFFFAOYSA-N 0 0 420.947 4.017 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)C2)cc1 ZINC000427193578 856704581 /nfs/dbraw/zinc/70/45/81/856704581.db2.gz OYDBVEGWBASSED-UHFFFAOYSA-N 0 0 423.925 4.091 20 30 HIEDRN CCCc1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1[N+](=O)[O-] ZINC000437463014 862826832 /nfs/dbraw/zinc/82/68/32/862826832.db2.gz YFQNNNTZRQSVMW-UHFFFAOYSA-N 0 0 409.377 4.326 20 30 HIEDRN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000427262690 856742600 /nfs/dbraw/zinc/74/26/00/856742600.db2.gz LIXDTLYALUQNOI-UHFFFAOYSA-N 0 0 424.272 4.248 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 ZINC000427315932 856767188 /nfs/dbraw/zinc/76/71/88/856767188.db2.gz PWSXJUWTVYUECW-RHFKOARHSA-N 0 0 403.466 4.080 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000437479160 862839292 /nfs/dbraw/zinc/83/92/92/862839292.db2.gz SXXHBRVUPKZJNM-DJJJIMSYSA-N 0 0 424.328 4.464 20 30 HIEDRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000427338678 856780043 /nfs/dbraw/zinc/78/00/43/856780043.db2.gz QLPAIDGRYRYRGS-POQQWNNTSA-N 0 0 414.502 4.299 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@](C)(CO)C(C)C ZINC000427366269 856797279 /nfs/dbraw/zinc/79/72/79/856797279.db2.gz MRTBHTJRIGRVEK-JOCHJYFZSA-N 0 0 415.559 4.162 20 30 HIEDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000427387711 856803356 /nfs/dbraw/zinc/80/33/56/856803356.db2.gz URPWDBWEAOATEO-NRFANRHFSA-N 0 0 417.421 4.177 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H]4CCC[C@@H]43)cc2Cl)cc1 ZINC000427393885 856804670 /nfs/dbraw/zinc/80/46/70/856804670.db2.gz DEHKPXJCLAZVMT-BEFAXECRSA-N 0 0 409.873 4.343 20 30 HIEDRN CN(C(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427419721 856812356 /nfs/dbraw/zinc/81/23/56/856812356.db2.gz GYKGRYVAEHSQNM-JOCHJYFZSA-N 0 0 422.941 4.483 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000437487270 862844354 /nfs/dbraw/zinc/84/43/54/862844354.db2.gz YSTFTKOBIZQRSK-UZLBHIALSA-N 0 0 413.518 4.305 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 ZINC000437491543 862848795 /nfs/dbraw/zinc/84/87/95/862848795.db2.gz AUCJQWKFNRQJJC-ZCYQVOJMSA-N 0 0 421.537 4.498 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1F ZINC000437490849 862849164 /nfs/dbraw/zinc/84/91/64/862849164.db2.gz NWSOFOJBGKRBRO-UHFFFAOYSA-N 0 0 417.440 4.177 20 30 HIEDRN C[C@H](CCCC(F)(F)F)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000427729401 856925138 /nfs/dbraw/zinc/92/51/38/856925138.db2.gz YNYGBRIBZZVCGW-CYBMUJFWSA-N 0 0 424.423 4.260 20 30 HIEDRN C[C@H](CCCC(F)(F)F)NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000427741124 856933369 /nfs/dbraw/zinc/93/33/69/856933369.db2.gz LLDZNWRQTRGMLB-SECBINFHSA-N 0 0 412.309 4.276 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)c1 ZINC000427752440 856938243 /nfs/dbraw/zinc/93/82/43/856938243.db2.gz MUJSTMDTRYMKFZ-FQEVSTJZSA-N 0 0 416.905 4.080 20 30 HIEDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C2)cc1 ZINC000427771655 856948492 /nfs/dbraw/zinc/94/84/92/856948492.db2.gz RGJPTDJEOMLLOF-QUCCMNQESA-N 0 0 405.498 4.021 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000437498562 862854241 /nfs/dbraw/zinc/85/42/41/862854241.db2.gz OCBQEJDFYRQYQO-RDTXWAMCSA-N 0 0 404.919 4.365 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sc(-c2ccc(OCC)cc2)nc1CC ZINC000437500235 862855243 /nfs/dbraw/zinc/85/52/43/862855243.db2.gz QWGGLVBQNLAIMS-VQIMIIECSA-N 0 0 400.544 4.482 20 30 HIEDRN Cc1cccc(Cc2cnc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)s2)c1Cl ZINC000427797404 856959575 /nfs/dbraw/zinc/95/95/75/856959575.db2.gz KVIXPRPLOUAJME-UHFFFAOYSA-N 0 0 418.931 4.072 20 30 HIEDRN COc1cc(-c2noc(CSCc3cccc(F)c3C#N)n2)cc(OC)c1OC ZINC000427830868 856974239 /nfs/dbraw/zinc/97/42/39/856974239.db2.gz IEDPSHBHIRATBE-UHFFFAOYSA-N 0 0 415.446 4.207 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)COc1ccc2ccccc2c1Br ZINC000437509008 862858850 /nfs/dbraw/zinc/85/88/50/862858850.db2.gz SERHYEFOLCSVRD-QRWLVFNGSA-N 0 0 404.304 4.079 20 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C=C[C@H](CC(=O)NC[C@H](CO)Cc1cccc(Br)c1)c1ccccc1 ZINC000430137549 858049021 /nfs/dbraw/zinc/04/90/21/858049021.db2.gz ZBHASOWFIYORGW-QZTJIDSGSA-N 0 0 402.332 4.076 20 30 HIEDRN Cc1ccc(-n2c3nnc(S[C@H]4CC[C@@H](C#N)C4)n3c3ccccc3c2=O)cc1 ZINC000430142363 858050838 /nfs/dbraw/zinc/05/08/38/858050838.db2.gz UPGXIGBTOMNLTB-WBVHZDCISA-N 0 0 401.495 4.126 20 30 HIEDRN Cc1cc(CNCc2cccc(OCc3ccccc3C#N)c2)nc(N2CCCC2)n1 ZINC000430144835 858051688 /nfs/dbraw/zinc/05/16/88/858051688.db2.gz HUDOXSYEJPESPS-UHFFFAOYSA-N 0 0 413.525 4.126 20 30 HIEDRN C=CCSc1ccccc1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430142962 858052242 /nfs/dbraw/zinc/05/22/42/858052242.db2.gz BGGBONMEIVTGCR-OAHLLOKOSA-N 0 0 420.372 4.308 20 30 HIEDRN N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCc4ccc(-c5ccccc5)cc43)CC2)c1 ZINC000430194869 858076328 /nfs/dbraw/zinc/07/63/28/858076328.db2.gz YBHNNDMUYGCYSB-DEOSSOPVSA-N 0 0 423.520 4.139 20 30 HIEDRN COCc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)cc(C(=O)OC)c1 ZINC000430205701 858081467 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ZINC000430466466 858180516 /nfs/dbraw/zinc/18/05/16/858180516.db2.gz JEMLMKSCWVUTRH-ILBGXUMGSA-N 0 0 424.516 4.137 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSc2ccc(Cl)cc21 ZINC000430479007 858188251 /nfs/dbraw/zinc/18/82/51/858188251.db2.gz QHTJPOAMTLCTOE-UHFFFAOYSA-N 0 0 401.919 4.391 20 30 HIEDRN N#CCC1(CNC(=O)NCc2ccc(OCCOc3ccc(Cl)cc3)cc2)CC1 ZINC000430570834 858222863 /nfs/dbraw/zinc/22/28/63/858222863.db2.gz JNUCDJGWQKSGCJ-UHFFFAOYSA-N 0 0 413.905 4.291 20 30 HIEDRN N#C[C@H](C(=O)c1ccccc1CN1CCOCC1)c1nc2cc(Cl)ccc2s1 ZINC000430645325 858246126 /nfs/dbraw/zinc/24/61/26/858246126.db2.gz BCZASOBDFMCTIQ-QGZVFWFLSA-N 0 0 411.914 4.272 20 30 HIEDRN CC(C)N1C(=O)N(Cc2ccc(C#N)cc2)C(=O)[C@H]1c1ccc(Br)cc1 ZINC000430725106 858279925 /nfs/dbraw/zinc/27/99/25/858279925.db2.gz PVOHCHHCPWTLGI-GOSISDBHSA-N 0 0 412.287 4.235 20 30 HIEDRN C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000430743533 858284484 /nfs/dbraw/zinc/28/44/84/858284484.db2.gz KWWPCRKGFPBIDH-INIZCTEOSA-N 0 0 416.506 4.441 20 30 HIEDRN COCc1nc2cc(NC(=O)c3ccc(COc4ccccc4C#N)o3)ccc2o1 ZINC000430772454 858299591 /nfs/dbraw/zinc/29/95/91/858299591.db2.gz BFWNLVFBVKPXPG-UHFFFAOYSA-N 0 0 403.394 4.270 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430823642 858318048 /nfs/dbraw/zinc/31/80/48/858318048.db2.gz UGUIBYWPKZCQJV-SSDOTTSWSA-N 0 0 411.321 4.039 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(OCC)c(OC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430843705 858328197 /nfs/dbraw/zinc/32/81/97/858328197.db2.gz FJVIOMFEZYUZRT-FXAWDEMLSA-N 0 0 408.498 4.216 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2cccc(OC(F)F)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430874939 858349878 /nfs/dbraw/zinc/34/98/78/858349878.db2.gz JKQZVLPPQBVDOH-HNAYVOBHSA-N 0 0 400.425 4.411 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccc(Br)s2)C(=O)[C@H]1Cc1ccccc1 ZINC000430928168 858372846 /nfs/dbraw/zinc/37/28/46/858372846.db2.gz STWPAWOGXIDYQA-OAHLLOKOSA-N 0 0 405.317 4.072 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000430957320 858382199 /nfs/dbraw/zinc/38/21/99/858382199.db2.gz OFDYLEZISFWEJV-VHBXLISGSA-N 0 0 422.504 4.418 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000430957319 858382520 /nfs/dbraw/zinc/38/25/20/858382520.db2.gz OFDYLEZISFWEJV-OXHPOLQJSA-N 0 0 422.504 4.418 20 30 HIEDRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)cs2)cc1 ZINC000437675328 863017822 /nfs/dbraw/zinc/01/78/22/863017822.db2.gz QLUYWZFYCVNMQW-UHFFFAOYSA-N 0 0 411.508 4.290 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000431024646 858407684 /nfs/dbraw/zinc/40/76/84/858407684.db2.gz MBKKYRWMAPTQQP-UHFFFAOYSA-N 0 0 417.494 4.271 20 30 HIEDRN N#CCC1(CNC(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3)C2)CC1 ZINC000431060470 858426986 /nfs/dbraw/zinc/42/69/86/858426986.db2.gz YWGBZOJWJSUUET-UHFFFAOYSA-N 0 0 403.486 4.092 20 30 HIEDRN C[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000437681269 863023418 /nfs/dbraw/zinc/02/34/18/863023418.db2.gz WNDYYEDIKABWBF-CQSZACIVSA-N 0 0 407.470 4.431 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000431139000 858466069 /nfs/dbraw/zinc/46/60/69/858466069.db2.gz NBARFIQRUMGJPJ-UHFFFAOYSA-N 0 0 405.433 4.070 20 30 HIEDRN Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)c3cccc(SCC#N)c3)c1-2 ZINC000431160167 858478557 /nfs/dbraw/zinc/47/85/57/858478557.db2.gz KOYHXMUZAOFJOU-UHFFFAOYSA-N 0 0 420.473 4.123 20 30 HIEDRN N#Cc1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000437689368 863028489 /nfs/dbraw/zinc/02/84/89/863028489.db2.gz WXDJJTYDQZKPJD-UHFFFAOYSA-N 0 0 419.281 4.088 20 30 HIEDRN C=CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)N(CC)Cc2ccccc2)c1 ZINC000431208375 858504032 /nfs/dbraw/zinc/50/40/32/858504032.db2.gz JDSBAPRTTNAEBH-UHFFFAOYSA-N 0 0 406.935 4.320 20 30 HIEDRN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccccc1Oc1ccccc1C#N)C[C@H](C)O2 ZINC000431234764 858521819 /nfs/dbraw/zinc/52/18/19/858521819.db2.gz VXVOHFMGASUDSV-YTZAWJCFSA-N 0 0 406.482 4.149 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccccc1Oc1ccccc1C#N)C[C@H](C)O2 ZINC000431234760 858521909 /nfs/dbraw/zinc/52/19/09/858521909.db2.gz VXVOHFMGASUDSV-NXMSCROESA-N 0 0 406.482 4.149 20 30 HIEDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC000431234414 858521921 /nfs/dbraw/zinc/52/19/21/858521921.db2.gz VMDDJIBEZIPAJR-UHFFFAOYSA-N 0 0 404.901 4.471 20 30 HIEDRN CN(C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)c1c(F)cccc1F ZINC000431297501 858552169 /nfs/dbraw/zinc/55/21/69/858552169.db2.gz ROJNDPRNKSHKNZ-VQTJNVASSA-N 0 0 400.473 4.302 20 30 HIEDRN Cc1nsc(NC2CC2)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000431347079 858574140 /nfs/dbraw/zinc/57/41/40/858574140.db2.gz DZPDPXZMAQRUOR-UHFFFAOYSA-N 0 0 417.494 4.402 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@H](c4ccccc4F)C3)C2)c(F)c1 ZINC000437708096 863041238 /nfs/dbraw/zinc/04/12/38/863041238.db2.gz WUONMGMKGJFSJQ-KZNAEPCWSA-N 0 0 410.468 4.051 20 30 HIEDRN C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc2c(c1)OCO2 ZINC000431395398 858592929 /nfs/dbraw/zinc/59/29/29/858592929.db2.gz 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COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431634571 858702502 /nfs/dbraw/zinc/70/25/02/858702502.db2.gz HHXSOLQPXCAKHD-INIZCTEOSA-N 0 0 423.332 4.171 20 30 HIEDRN COc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c(Br)c1 ZINC000431636550 858703382 /nfs/dbraw/zinc/70/33/82/858703382.db2.gz WJNYXPHMFKJNOO-KRWDZBQOSA-N 0 0 423.332 4.171 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1noc(Cc2ccccc2)n1 ZINC000431649727 858712208 /nfs/dbraw/zinc/71/22/08/858712208.db2.gz XLNAGJOEEIKABJ-YYWHXJBOSA-N 0 0 415.497 4.203 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC(OCCCc4ccccc4)C3)o2)cc1 ZINC000431718849 858760089 /nfs/dbraw/zinc/76/00/89/858760089.db2.gz LHSVKFFUTNTWON-UHFFFAOYSA-N 0 0 416.477 4.204 20 30 HIEDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431817687 858826414 /nfs/dbraw/zinc/82/64/14/858826414.db2.gz JBDWTKRLZBYYMQ-XMSQKQJNSA-N 0 0 406.530 4.449 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000431853877 858840560 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C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000432078539 858972402 /nfs/dbraw/zinc/97/24/02/858972402.db2.gz INICVUMPQJSGFO-HNNXBMFYSA-N 0 0 411.531 4.496 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000432077011 858972529 /nfs/dbraw/zinc/97/25/29/858972529.db2.gz ICFQKALFWOOGOZ-LOSJGSFVSA-N 0 0 419.488 4.345 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000432092053 858983791 /nfs/dbraw/zinc/98/37/91/858983791.db2.gz XAIZDYXFWVWELN-ROUUACIJSA-N 0 0 422.554 4.455 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000432232157 859060221 /nfs/dbraw/zinc/06/02/21/859060221.db2.gz OBTSRQAPSZGALQ-OAHLLOKOSA-N 0 0 401.747 4.225 20 30 HIEDRN COC(=O)[C@@H](NCc1ccc(OCc2cccc(C)c2)cc1)c1cccc(C#N)c1 ZINC000432245854 859066057 /nfs/dbraw/zinc/06/60/57/859066057.db2.gz LGOZBGJFINGSIN-DEOSSOPVSA-N 0 0 400.478 4.450 20 30 HIEDRN CN(C)c1cccc([C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000432326736 859104811 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4.301 20 30 HIEDRN CC1(C)CCCN(C(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)[C@@H]1C#N ZINC000434431484 860348701 /nfs/dbraw/zinc/34/87/01/860348701.db2.gz HDFYZJHOHVZEAL-LEWJYISDSA-N 0 0 420.513 4.119 20 30 HIEDRN Cc1cc2sc(NC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2cc1F ZINC000434506196 860377805 /nfs/dbraw/zinc/37/78/05/860377805.db2.gz UEFYUFNUCFHYQD-UHFFFAOYSA-N 0 0 423.517 4.355 20 30 HIEDRN CC(C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)NCC1CCCC1 ZINC000434559567 860400909 /nfs/dbraw/zinc/40/09/09/860400909.db2.gz PSMVACVJKRKRKV-UHFFFAOYSA-N 0 0 404.514 4.117 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000434576378 860410267 /nfs/dbraw/zinc/41/02/67/860410267.db2.gz RECHWJDTFZWEKY-UHFFFAOYSA-N 0 0 424.570 4.275 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NC2CCC3(CC3)CC2)cc1 ZINC000434587002 860414711 /nfs/dbraw/zinc/41/47/11/860414711.db2.gz LEMRTCQFAQXKHY-UHFFFAOYSA-N 0 0 419.481 4.137 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1nc(-c2ccccc2)cs1 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860513686 /nfs/dbraw/zinc/51/36/86/860513686.db2.gz AFPSJEJZKOZRDL-HSZRJFAPSA-N 0 0 401.466 4.052 20 30 HIEDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434856048 860524115 /nfs/dbraw/zinc/52/41/15/860524115.db2.gz QSPVMGOWSFNVJU-UXHICEINSA-N 0 0 406.530 4.238 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2)C1=O ZINC000434875559 860531181 /nfs/dbraw/zinc/53/11/81/860531181.db2.gz UHXGFRDIMRMZOB-LJQANCHMSA-N 0 0 402.479 4.089 20 30 HIEDRN Cc1cnn(-c2ccc(C)cc2NCC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000434883288 860533985 /nfs/dbraw/zinc/53/39/85/860533985.db2.gz NBISRVYMIFAUER-UHFFFAOYSA-N 0 0 401.514 4.465 20 30 HIEDRN COc1cc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)cc1C ZINC000434902947 860546915 /nfs/dbraw/zinc/54/69/15/860546915.db2.gz GRDPWSJWOLZXKZ-UHFFFAOYSA-N 0 0 415.497 4.086 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000434922094 860554561 /nfs/dbraw/zinc/55/45/61/860554561.db2.gz LBVPPNOUVJAOCY-UHFFFAOYSA-N 0 0 422.485 4.492 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N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000435157304 860669270 /nfs/dbraw/zinc/66/92/70/860669270.db2.gz BDASRNSMRXTBEE-ZDUSSCGKSA-N 0 0 417.282 4.108 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435157633 860670014 /nfs/dbraw/zinc/67/00/14/860670014.db2.gz DGGDACPHJZTIKA-UHFFFAOYSA-N 0 0 400.397 4.315 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000435157792 860670086 /nfs/dbraw/zinc/67/00/86/860670086.db2.gz OSONJURYENWVAR-KRWDZBQOSA-N 0 0 404.239 4.065 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCSC[C@H]2c2ccccc2)cc1C(F)(F)F ZINC000435161600 860671573 /nfs/dbraw/zinc/67/15/73/860671573.db2.gz FBWJLMJRTPMEQU-KRWDZBQOSA-N 0 0 412.458 4.056 20 30 HIEDRN C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435174812 860678773 /nfs/dbraw/zinc/67/87/73/860678773.db2.gz WJHSSZIGHVFPFU-SNVBAGLBSA-N 0 0 404.360 4.237 20 30 HIEDRN CCCCn1ncc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C ZINC000435176029 860679486 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CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1C#N ZINC000435505727 860826339 /nfs/dbraw/zinc/82/63/39/860826339.db2.gz QJWWKOOTANTXJD-SFTDATJTSA-N 0 0 405.498 4.127 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1C#N ZINC000435505726 860826628 /nfs/dbraw/zinc/82/66/28/860826628.db2.gz QJWWKOOTANTXJD-RTWAWAEBSA-N 0 0 405.498 4.127 20 30 HIEDRN Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000435510449 860829468 /nfs/dbraw/zinc/82/94/68/860829468.db2.gz HEWOLTMVTSJRFL-UHFFFAOYSA-N 0 0 415.497 4.436 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000435532594 860848323 /nfs/dbraw/zinc/84/83/23/860848323.db2.gz FPZACZGOBVWTLW-CYBMUJFWSA-N 0 0 419.403 4.180 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1C#N ZINC000435548046 860863014 /nfs/dbraw/zinc/86/30/14/860863014.db2.gz BBVBGVDPAIWWIQ-UHFFFAOYSA-N 0 0 406.486 4.228 20 30 HIEDRN C[C@H]1COCC[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000435556475 860875770 /nfs/dbraw/zinc/87/57/70/860875770.db2.gz MESCXBRILOXEFL-XHDPSFHLSA-N 0 0 409.433 4.235 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)NCC(=O)Nc2cccc3ccccc32)cc1C#N ZINC000435561893 860882595 /nfs/dbraw/zinc/88/25/95/860882595.db2.gz ZIFDIGITYICAOB-UHFFFAOYSA-N 0 0 402.454 4.259 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435632301 860927110 /nfs/dbraw/zinc/92/71/10/860927110.db2.gz MYHDWLUBVAWDQF-GOSISDBHSA-N 0 0 419.378 4.408 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000435637132 860928813 /nfs/dbraw/zinc/92/88/13/860928813.db2.gz MHUGBWYOILEYFH-SFHVURJKSA-N 0 0 419.378 4.408 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000435648533 860932897 /nfs/dbraw/zinc/93/28/97/860932897.db2.gz WAAVAGGVLZANLV-SFHVURJKSA-N 0 0 413.861 4.257 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@@H]1CCOC[C@H]1C)c1ccc2c(c1)OCO2 ZINC000435650511 860934653 /nfs/dbraw/zinc/93/46/53/860934653.db2.gz ICKLQEMEOQAYLN-YLJYHZDGSA-N 0 0 409.482 4.186 20 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C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000437821642 863162537 /nfs/dbraw/zinc/16/25/37/863162537.db2.gz QKRIUJXAORWUFQ-NRFANRHFSA-N 0 0 403.500 4.050 20 30 HIEDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(C#N)cc1OC(F)F ZINC000437884722 863247046 /nfs/dbraw/zinc/24/70/46/863247046.db2.gz XHPVSXLGHPQQFP-GOSISDBHSA-N 0 0 415.440 4.080 20 30 HIEDRN C=CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000437900134 863273964 /nfs/dbraw/zinc/27/39/64/863273964.db2.gz GAHPJDLYOJOLJT-ONGXBYRLSA-N 0 0 422.920 4.130 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)cc1 ZINC000437910530 863286032 /nfs/dbraw/zinc/28/60/32/863286032.db2.gz XNZIJFUXBTXCSS-CQSZACIVSA-N 0 0 403.885 4.253 20 30 HIEDRN COCc1ccc([C@H]2CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000467816130 881645514 /nfs/dbraw/zinc/64/55/14/881645514.db2.gz SUFFQYXUOAOLAV-GOSISDBHSA-N 0 0 406.404 4.343 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000437925378 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QBVUYNMPGKSVDW-SVMVAKDDSA-N 0 0 411.571 4.196 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000437991368 863354541 /nfs/dbraw/zinc/35/45/41/863354541.db2.gz HGQIFDNVIFTWEI-OIBXWCBGSA-N 0 0 412.505 4.399 20 30 HIEDRN COC(=O)CSCc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437993298 863355915 /nfs/dbraw/zinc/35/59/15/863355915.db2.gz MYWHPPJJOWIDLQ-NHCUHLMSSA-N 0 0 423.538 4.396 20 30 HIEDRN CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000467823223 881653181 /nfs/dbraw/zinc/65/31/81/881653181.db2.gz DTTVACXHXNXYLN-UZLBHIALSA-N 0 0 405.498 4.031 20 30 HIEDRN O=C(c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)N(CCC(F)(F)F)CC1CC1 ZINC000438036936 863395463 /nfs/dbraw/zinc/39/54/63/863395463.db2.gz SVCNPDMUTLJLCY-UHFFFAOYSA-N 0 0 424.320 4.230 20 30 HIEDRN Cc1ccc(N2CCC(NC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)nc1 ZINC000438041300 863400777 /nfs/dbraw/zinc/40/07/77/863400777.db2.gz WQUXUEMCFCDCHS-QGZVFWFLSA-N 0 0 409.559 4.432 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC000438055480 863422660 /nfs/dbraw/zinc/42/26/60/863422660.db2.gz FFHKUHDNFVVJQA-UHFFFAOYSA-N 0 0 423.835 4.320 20 30 HIEDRN COC(=O)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1ccccc1 ZINC000438054844 863422835 /nfs/dbraw/zinc/42/28/35/863422835.db2.gz NGOHDSWEWPAVNU-JOCHJYFZSA-N 0 0 415.449 4.429 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000438059567 863432039 /nfs/dbraw/zinc/43/20/39/863432039.db2.gz ZLHGGSNKYHJLJT-NZQKXSOJSA-N 0 0 410.562 4.412 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000438069386 863450947 /nfs/dbraw/zinc/45/09/47/863450947.db2.gz UNOJZZXDFKUYOG-GLJUWKHASA-N 0 0 401.334 4.383 20 30 HIEDRN C[C@H](c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1)N1CCOCC1 ZINC000438084294 863481774 /nfs/dbraw/zinc/48/17/74/863481774.db2.gz ZWBOGMOXKVVARR-VEXUSMLFSA-N 0 0 418.541 4.383 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000438109912 863521723 /nfs/dbraw/zinc/52/17/23/863521723.db2.gz MQLFWXCPLCAEFN-UHFFFAOYSA-N 0 0 408.527 4.012 20 30 HIEDRN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000467836206 881671246 /nfs/dbraw/zinc/67/12/46/881671246.db2.gz HKFWMMJPDKHABW-MRXNPFEDSA-N 0 0 417.440 4.178 20 30 HIEDRN C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438146009 863565869 /nfs/dbraw/zinc/56/58/69/863565869.db2.gz ASYQQSSSVDRRNE-VBURHUQHSA-N 0 0 402.450 4.413 20 30 HIEDRN CC(=O)N1CCCc2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc21 ZINC000438195558 863622763 /nfs/dbraw/zinc/62/27/63/863622763.db2.gz CWSUMQMMLZGHSZ-JTHBVZDNSA-N 0 0 402.498 4.289 20 30 HIEDRN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000438198724 863626734 /nfs/dbraw/zinc/62/67/34/863626734.db2.gz HNSPUOAAWFYPDS-UHFFFAOYSA-N 0 0 424.476 4.044 20 30 HIEDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc21 ZINC000467841425 881681232 /nfs/dbraw/zinc/68/12/32/881681232.db2.gz 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406.383 4.364 20 30 HIEDRN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000438647509 864087513 /nfs/dbraw/zinc/08/75/13/864087513.db2.gz IYPDTCSTXGYLOJ-HIFRSBDPSA-N 0 0 410.440 4.126 20 30 HIEDRN COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000438654831 864095595 /nfs/dbraw/zinc/09/55/95/864095595.db2.gz WELYKEMKGJFSPG-AWEZNQCLSA-N 0 0 418.419 4.234 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000438653792 864095888 /nfs/dbraw/zinc/09/58/88/864095888.db2.gz FWAHKCMEQUSHEA-UHFFFAOYSA-N 0 0 414.421 4.032 20 30 HIEDRN C[C@H](CC#N)N(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000438655050 864096562 /nfs/dbraw/zinc/09/65/62/864096562.db2.gz WYQKWNNGAACFDA-CQSZACIVSA-N 0 0 418.419 4.130 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)c1 ZINC000438658143 864103310 /nfs/dbraw/zinc/10/33/10/864103310.db2.gz ZJDMXCKZHDCLAO-UHFFFAOYSA-N 0 0 418.497 4.446 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N1CCCC[C@@H]1C ZINC000438658577 864104198 /nfs/dbraw/zinc/10/41/98/864104198.db2.gz BQZUAUHKOOJKMS-JKSUJKDBSA-N 0 0 424.476 4.401 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c1 ZINC000438662023 864110477 /nfs/dbraw/zinc/11/04/77/864110477.db2.gz VRUCHKFZCGGETC-UHFFFAOYSA-N 0 0 418.453 4.064 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000438663242 864113782 /nfs/dbraw/zinc/11/37/82/864113782.db2.gz HNEPUDIKMHAIQF-UHFFFAOYSA-N 0 0 409.667 4.245 20 30 HIEDRN CCN(CC)C(=O)CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438665429 864118233 /nfs/dbraw/zinc/11/82/33/864118233.db2.gz PXTRRCYMONULPX-UHFFFAOYSA-N 0 0 412.465 4.260 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccccc2OCCO)cc1F ZINC000438673387 864134398 /nfs/dbraw/zinc/13/43/98/864134398.db2.gz UAAUUWCHSRKPCK-UHFFFAOYSA-N 0 0 421.428 4.182 20 30 HIEDRN N#Cc1ccc(-c2nnc(CN[C@H](C(=O)Nc3ccccc3)c3ccccc3)o2)cc1 ZINC000438673057 864134697 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COc1ccc(C#N)cc1NC(=O)C(=O)NC(c1cccc(C)c1)c1cccc(C)c1 ZINC000438726801 864209240 /nfs/dbraw/zinc/20/92/40/864209240.db2.gz VJUBZAMENNMQMS-UHFFFAOYSA-N 0 0 413.477 4.028 20 30 HIEDRN C=CCn1c(SCC2(O)CCC(C)CC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000438782354 864277197 /nfs/dbraw/zinc/27/71/97/864277197.db2.gz CTMMLKQUYCPQLY-GFBDMGBSSA-N 0 0 401.532 4.010 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1OC ZINC000438798767 864289336 /nfs/dbraw/zinc/28/93/36/864289336.db2.gz DVEZMGAXEKCKQX-UHFFFAOYSA-N 0 0 414.461 4.071 20 30 HIEDRN C=CCOc1ccc(CN(C(=O)Cn2ccc(=O)c3ccccc32)C(C)(C)C)cc1 ZINC000467886305 881748524 /nfs/dbraw/zinc/74/85/24/881748524.db2.gz BODLNQUERUDRBY-UHFFFAOYSA-N 0 0 404.510 4.394 20 30 HIEDRN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccc(C#N)cc4Cl)C3=O)ccc2c1 ZINC000438823421 864317700 /nfs/dbraw/zinc/31/77/00/864317700.db2.gz YZEHLRMFBGIPFN-QHCPKHFHSA-N 0 0 419.868 4.341 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000438829156 864324589 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N#Cc1ccc(OCC(=O)NCc2cccc(COCc3ccco3)c2)cc1Cl ZINC000438892465 864374020 /nfs/dbraw/zinc/37/40/20/864374020.db2.gz CPQQCSWWQLOULA-UHFFFAOYSA-N 0 0 410.857 4.217 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)cnn1-c1cccc(C#N)c1 ZINC000438909887 864389149 /nfs/dbraw/zinc/38/91/49/864389149.db2.gz FNVOWGQWIQISHL-UHFFFAOYSA-N 0 0 422.876 4.093 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cnn1-c1cccc(C#N)c1 ZINC000438909708 864389234 /nfs/dbraw/zinc/38/92/34/864389234.db2.gz DPAYRIWPQRREKW-UHFFFAOYSA-N 0 0 408.393 4.388 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000438910682 864390643 /nfs/dbraw/zinc/39/06/43/864390643.db2.gz NAEDXZVSLIUWIM-UHFFFAOYSA-N 0 0 413.315 4.107 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCNC(=O)c3ccccc32)c1 ZINC000438939252 864415059 /nfs/dbraw/zinc/41/50/59/864415059.db2.gz RRFFYBJFMDXSCR-UHFFFAOYSA-N 0 0 417.852 4.394 20 30 HIEDRN Cc1csc(-c2cccc(NC(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)c2)n1 ZINC000439077501 864528588 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CCCc1c(NC(=O)NCCc2c(F)cccc2F)cnn1-c1cccc(C#N)c1 ZINC000439665531 864996223 /nfs/dbraw/zinc/99/62/23/864996223.db2.gz RRPWOHZPVBBTBD-UHFFFAOYSA-N 0 0 409.440 4.339 20 30 HIEDRN CCCc1c(NC(=O)NCCc2cc(F)cc(F)c2)cnn1-c1cccc(C#N)c1 ZINC000439666759 864997573 /nfs/dbraw/zinc/99/75/73/864997573.db2.gz IJPBIDHOKRBDIC-UHFFFAOYSA-N 0 0 409.440 4.339 20 30 HIEDRN N#CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000439668079 864998249 /nfs/dbraw/zinc/99/82/49/864998249.db2.gz AEDUFNNGEPZQTC-PZJWPPBQSA-N 0 0 409.917 4.353 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 ZINC000439670419 865002239 /nfs/dbraw/zinc/00/22/39/865002239.db2.gz GELGAOTYOYSHCR-HSZRJFAPSA-N 0 0 423.472 4.258 20 30 HIEDRN Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1I ZINC000439673458 865006126 /nfs/dbraw/zinc/00/61/26/865006126.db2.gz ULVKXMQUQPZISO-KRWDZBQOSA-N 0 0 404.251 4.375 20 30 HIEDRN N#CCC[C@H](NC(=O)c1ccc(I)c(F)c1)c1ccccc1 ZINC000439675488 865009570 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N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-c4ccccn4)no3)c2)c1 ZINC000467994434 881840065 /nfs/dbraw/zinc/84/00/65/881840065.db2.gz LRYDWLDQZMTPBT-UHFFFAOYSA-N 0 0 409.405 4.113 20 30 HIEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cnn1C ZINC000467997794 881841856 /nfs/dbraw/zinc/84/18/56/881841856.db2.gz GPGHHYWGWBVULX-UNMCSNQZSA-N 0 0 402.454 4.109 20 30 HIEDRN Cc1noc(C2CCC(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)CC2)n1 ZINC000439893334 865205560 /nfs/dbraw/zinc/20/55/60/865205560.db2.gz KJMKBPQQABVOIB-UHFFFAOYSA-N 0 0 401.470 4.450 20 30 HIEDRN CN(C(=O)CC1(CC(=O)N(C)c2ccc(C#N)cc2)CCCC1)c1ccc(C#N)cc1 ZINC000439928066 865230430 /nfs/dbraw/zinc/23/04/30/865230430.db2.gz UNJYBKWZTPTJRU-UHFFFAOYSA-N 0 0 414.509 4.396 20 30 HIEDRN N#Cc1c(Br)cccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000439958394 865251946 /nfs/dbraw/zinc/25/19/46/865251946.db2.gz NYMBGJCUOZGVKZ-CQSZACIVSA-N 0 0 400.324 4.023 20 30 HIEDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000439972746 865266929 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HIEDRN C=CCCCCCN(C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000448285736 872213846 /nfs/dbraw/zinc/21/38/46/872213846.db2.gz OZXFMSCHLOPXKO-UHFFFAOYSA-N 0 0 407.312 4.387 20 30 HIEDRN Cn1cc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c(-c2ccoc2)n1 ZINC000448342681 872288102 /nfs/dbraw/zinc/28/81/02/872288102.db2.gz RQSKKEQXFOZDEP-QFIPXVFZSA-N 0 0 412.449 4.254 20 30 HIEDRN C=CCCCNC(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000448371717 872322168 /nfs/dbraw/zinc/32/21/68/872322168.db2.gz FKTRWWVCGZHFTJ-UHFFFAOYSA-N 0 0 406.404 4.305 20 30 HIEDRN N#C[C@H]1N(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CCC[C@]12CCCCO2 ZINC000448538520 872537613 /nfs/dbraw/zinc/53/76/13/872537613.db2.gz PGLFQJGXXZUSRM-WIYYLYMNSA-N 0 0 422.447 4.362 20 30 HIEDRN CCCOc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(OCCC)c1 ZINC000448537613 872538384 /nfs/dbraw/zinc/53/83/84/872538384.db2.gz KVCNSDWVWRJMOU-GGAORHGYSA-N 0 0 400.519 4.332 20 30 HIEDRN COc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(OCCC(C)C)c1 ZINC000448538641 872541334 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882828290 /nfs/dbraw/zinc/82/82/90/882828290.db2.gz ZPVKLEDPJCCDKF-NSHDSACASA-N 0 0 408.449 4.351 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCOC1 ZINC000461418300 874439498 /nfs/dbraw/zinc/43/94/98/874439498.db2.gz AYXVPSVMHMJMNA-HXUWFJFHSA-N 0 0 422.529 4.393 20 30 HIEDRN C=C(CNC(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1ccccc1 ZINC000461422684 874449294 /nfs/dbraw/zinc/44/92/94/874449294.db2.gz SSBWYVUTPAXZOI-UHFFFAOYSA-N 0 0 416.403 4.354 20 30 HIEDRN N#Cc1cnc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c(Cl)c1 ZINC000468723081 882829849 /nfs/dbraw/zinc/82/98/49/882829849.db2.gz DRFJSAFVQYBVEO-OAHLLOKOSA-N 0 0 408.914 4.266 20 30 HIEDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)C2 ZINC000461454235 874514619 /nfs/dbraw/zinc/51/46/19/874514619.db2.gz GZVZFVMJDXRDGB-UHFFFAOYSA-N 0 0 412.493 4.160 20 30 HIEDRN C[C@@H]1CCC[C@@H](CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000461461927 874521344 /nfs/dbraw/zinc/52/13/44/874521344.db2.gz HBSMTZJKGFUOLY-HLIPFELVSA-N 0 0 418.379 4.374 20 30 HIEDRN C[C@@H]1CCC[C@H](CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000461461929 874521732 /nfs/dbraw/zinc/52/17/32/874521732.db2.gz HBSMTZJKGFUOLY-UWVAXJGDSA-N 0 0 418.379 4.374 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc([C@@H]2Cc3ccccc3O2)n1Cc1cccs1 ZINC000461475914 874532309 /nfs/dbraw/zinc/53/23/09/874532309.db2.gz BRYMBZQINLIKPI-FQEVSTJZSA-N 0 0 405.527 4.194 20 30 HIEDRN Cn1c(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)nnc1C1CCC1 ZINC000461480903 874539565 /nfs/dbraw/zinc/53/95/65/874539565.db2.gz MTDSHGREKQEJQZ-UHFFFAOYSA-N 0 0 421.888 4.330 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc([C@H]4CCCO4)n3Cc3cccs3)CC2)cc1 ZINC000461481206 874540725 /nfs/dbraw/zinc/54/07/25/874540725.db2.gz AOOXWCYJAPBJJH-OAQYLSRUSA-N 0 0 417.538 4.405 20 30 HIEDRN C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000461494571 874563879 /nfs/dbraw/zinc/56/38/79/874563879.db2.gz VSIPYGIGNSNBGF-IRXDYDNUSA-N 0 0 407.543 4.463 20 30 HIEDRN CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)ccc21 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ZINC000461543186 874631663 /nfs/dbraw/zinc/63/16/63/874631663.db2.gz WKZOHHCRMUYIBX-QGPMSJSTSA-N 0 0 419.451 4.020 20 30 HIEDRN C=CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000468762268 882848257 /nfs/dbraw/zinc/84/82/57/882848257.db2.gz AOTBKBVYQMXLDZ-CQSZACIVSA-N 0 0 415.964 4.192 20 30 HIEDRN Cc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461594016 874715986 /nfs/dbraw/zinc/71/59/86/874715986.db2.gz AAYCCRTZTSHPRM-TZIWHRDSSA-N 0 0 415.541 4.229 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461597813 874723106 /nfs/dbraw/zinc/72/31/06/874723106.db2.gz MBABSNMHPPBROR-SFHVURJKSA-N 0 0 405.527 4.107 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461597812 874723789 /nfs/dbraw/zinc/72/37/89/874723789.db2.gz MBABSNMHPPBROR-GOSISDBHSA-N 0 0 405.527 4.107 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H]3Cc3ccccc3)n2C[C@@H]2CCOC2)cc1 ZINC000461603062 874736308 /nfs/dbraw/zinc/73/63/08/874736308.db2.gz MZGVAPLZZAUWES-JTHBVZDNSA-N 0 0 413.525 4.065 20 30 HIEDRN C=CCN(CC=C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCOC1 ZINC000461603139 874736416 /nfs/dbraw/zinc/73/64/16/874736416.db2.gz NJETYOQMLLSKDI-HNNXBMFYSA-N 0 0 423.344 4.379 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2C[C@@H]2CCOC2)cc1 ZINC000461603025 874736776 /nfs/dbraw/zinc/73/67/76/874736776.db2.gz UZPVJUKRSVIKRV-FXAWDEMLSA-N 0 0 405.527 4.256 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H]2CCOC2)cc1 ZINC000461608409 874748765 /nfs/dbraw/zinc/74/87/65/874748765.db2.gz XXOYDYHNTNPZKF-KRWDZBQOSA-N 0 0 419.451 4.022 20 30 HIEDRN COc1ccc([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 ZINC000461611765 874754800 /nfs/dbraw/zinc/75/48/00/874754800.db2.gz DNFRAQCNDLABIL-HKUYNNGSSA-N 0 0 417.513 4.059 20 30 HIEDRN Cc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c(F)c1Cl ZINC000468795355 882863792 /nfs/dbraw/zinc/86/37/92/882863792.db2.gz BWDOANLHINBVMB-UHFFFAOYSA-N 0 0 408.864 4.170 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000461656594 874810030 /nfs/dbraw/zinc/81/00/30/874810030.db2.gz BMAHSWHBDPZPFJ-UHFFFAOYSA-N 0 0 407.514 4.059 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCCc4ccccc4C3)n2C[C@H]2CCCCO2)cc1 ZINC000461658270 874811540 /nfs/dbraw/zinc/81/15/40/874811540.db2.gz MIRFFVUDDMFTFS-HSZRJFAPSA-N 0 0 413.525 4.339 20 30 HIEDRN C=CCN(CCOC)c1nnc(-c2cccc(C(F)(F)F)c2)n1C[C@@H]1CCCCO1 ZINC000461662108 874814822 /nfs/dbraw/zinc/81/48/22/874814822.db2.gz NXWYDNPYAGTYPB-SFHVURJKSA-N 0 0 424.467 4.172 20 30 HIEDRN Cc1cc(C)c(Br)c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC000461671151 874822008 /nfs/dbraw/zinc/82/20/08/874822008.db2.gz RNBGMOFNHPGXDT-UHFFFAOYSA-N 0 0 415.287 4.398 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCO1 ZINC000461675050 874825429 /nfs/dbraw/zinc/82/54/29/874825429.db2.gz TWAAZQNEFDKEBT-NRFANRHFSA-N 0 0 403.530 4.492 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCOC1 ZINC000461679280 874830189 /nfs/dbraw/zinc/83/01/89/874830189.db2.gz CMKMOQNZKDQBAC-SFHVURJKSA-N 0 0 407.518 4.494 20 30 HIEDRN C=CCN(c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCCCO1)C1CC1 ZINC000461680397 874830973 /nfs/dbraw/zinc/83/09/73/874830973.db2.gz KLBRGFDAXCYLPT-LJQANCHMSA-N 0 0 402.926 4.234 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000461686618 874837320 /nfs/dbraw/zinc/83/73/20/874837320.db2.gz MZUXMWQOHHHGKA-UHFFFAOYSA-N 0 0 405.502 4.263 20 30 HIEDRN CCN(Cc1ccccc1C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461696628 874846569 /nfs/dbraw/zinc/84/65/69/874846569.db2.gz CMYDZWREUVQYCJ-FQEVSTJZSA-N 0 0 401.514 4.188 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000461700355 874850586 /nfs/dbraw/zinc/85/05/86/874850586.db2.gz MJTNQTBYVCWZKM-UHFFFAOYSA-N 0 0 411.469 4.070 20 30 HIEDRN N#CC1(F)CCN(C(=O)N[C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000461706048 874855375 /nfs/dbraw/zinc/85/53/75/874855375.db2.gz JVJYIDHFXZZECD-INIZCTEOSA-N 0 0 419.298 4.345 20 30 HIEDRN CO[C@]1(C)C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1(C)C ZINC000461733839 874879705 /nfs/dbraw/zinc/87/97/05/874879705.db2.gz OZRKUYOCOSPASS-MZLICYQSSA-N 0 0 423.561 4.026 20 30 HIEDRN C[C@@H](C(=O)NCCSCc1ccccc1C#N)c1cccc(Br)c1 ZINC000461739829 874884212 /nfs/dbraw/zinc/88/42/12/874884212.db2.gz GYZQMLUSGAJBQB-CQSZACIVSA-N 0 0 403.345 4.474 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000461752694 874892106 /nfs/dbraw/zinc/89/21/06/874892106.db2.gz HHTPAYWSIGRHTL-VXKWHMMOSA-N 0 0 403.526 4.012 20 30 HIEDRN Cc1csc(Sc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C#N)cc2Cl)n1 ZINC000461764641 874897664 /nfs/dbraw/zinc/89/76/64/874897664.db2.gz AQSMGNVJVUXECI-FZMZJTMJSA-N 0 0 420.947 4.003 20 30 HIEDRN Cc1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)cc1 ZINC000461807835 874921610 /nfs/dbraw/zinc/92/16/10/874921610.db2.gz GJWJBDWPTPEJSX-NRFANRHFSA-N 0 0 403.486 4.350 20 30 HIEDRN C=CCN(c1nnc(CSc2ccccc2OC)n1C[C@H]1CCCCO1)C1CC1 ZINC000461807688 874921710 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XDQGTHSBENNTKA-NUJGCVRESA-N 0 0 413.591 4.439 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H]1CCCCO1 ZINC000461859893 875008618 /nfs/dbraw/zinc/00/86/18/875008618.db2.gz XDQGTHSBENNTKA-RYRKJORJSA-N 0 0 413.591 4.439 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCO1 ZINC000461860338 875008744 /nfs/dbraw/zinc/00/87/44/875008744.db2.gz XLEFUYPELDWROS-NRFANRHFSA-N 0 0 421.545 4.054 20 30 HIEDRN CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H](C)c3cccc(C#N)c3)sc2C)s1 ZINC000461901687 875047259 /nfs/dbraw/zinc/04/72/59/875047259.db2.gz WAEODQVZQQZXHP-LBPRGKRZSA-N 0 0 424.551 4.430 20 30 HIEDRN Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000461912784 875055168 /nfs/dbraw/zinc/05/51/68/875055168.db2.gz DEJUEZZVQBSGBE-UHFFFAOYSA-N 0 0 421.884 4.323 20 30 HIEDRN COC(=O)Cc1sc(NC(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1 ZINC000461923036 875063194 /nfs/dbraw/zinc/06/31/94/875063194.db2.gz PXLDJAOPRAOJCM-AWEZNQCLSA-N 0 0 405.479 4.139 20 30 HIEDRN C[C@@H](C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccc(C#N)c1 ZINC000461924314 875063451 /nfs/dbraw/zinc/06/34/51/875063451.db2.gz VCAFNQIGLUYIDK-MRXNPFEDSA-N 0 0 415.459 4.461 20 30 HIEDRN CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000461938751 875073415 /nfs/dbraw/zinc/07/34/15/875073415.db2.gz ZVFGSDWLAYHBIL-LJQANCHMSA-N 0 0 412.921 4.480 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)C2)cc1 ZINC000461940887 875075425 /nfs/dbraw/zinc/07/54/25/875075425.db2.gz LQKDOARKBFUHCY-SFHVURJKSA-N 0 0 407.367 4.164 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000461954038 875083907 /nfs/dbraw/zinc/08/39/07/875083907.db2.gz FLWSRWRNDMAQQX-CXAGYDPISA-N 0 0 405.285 4.017 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)C2)cc1 ZINC000461978501 875098979 /nfs/dbraw/zinc/09/89/79/875098979.db2.gz SLDOHOZNQAJSCS-UHFFFAOYSA-N 0 0 412.449 4.106 20 30 HIEDRN CC(C)c1nccn1Cc1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000461986616 875106999 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OSIKRTFLUAGNOS-UHFFFAOYSA-N 0 0 417.309 4.460 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NCC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000462230040 875340551 /nfs/dbraw/zinc/34/05/51/875340551.db2.gz ROGFLKCDDGKXGU-CABCVRRESA-N 0 0 403.498 4.376 20 30 HIEDRN C[C@H](Cc1c(F)cccc1F)NC(=O)CNc1ccccc1SC[C@@H](C)C#N ZINC000462230049 875340916 /nfs/dbraw/zinc/34/09/16/875340916.db2.gz ROGFLKCDDGKXGU-LSDHHAIUSA-N 0 0 403.498 4.376 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCc1nccs1 ZINC000462231907 875341752 /nfs/dbraw/zinc/34/17/52/875341752.db2.gz YNQRZDDEERXMEZ-UHFFFAOYSA-N 0 0 412.328 4.375 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc(C#N)c1 ZINC000462243983 875360326 /nfs/dbraw/zinc/36/03/26/875360326.db2.gz DRLXYIHPAQEYHT-OAHLLOKOSA-N 0 0 403.461 4.424 20 30 HIEDRN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc(C#N)c1 ZINC000462255837 875378400 /nfs/dbraw/zinc/37/84/00/875378400.db2.gz KOZFUNFDOHLMDO-INIZCTEOSA-N 0 0 405.479 4.101 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)c2)cc1 ZINC000462256796 875380264 /nfs/dbraw/zinc/38/02/64/875380264.db2.gz MTPGSNHJAZDUJE-FYYLOGMGSA-N 0 0 405.498 4.411 20 30 HIEDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462258143 875382038 /nfs/dbraw/zinc/38/20/38/875382038.db2.gz QRPRXEQIUHKUPD-WXVUKLJWSA-N 0 0 404.558 4.124 20 30 HIEDRN C=CCN(C(=O)[C@H](C)CC(C)C)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000462417112 875522778 /nfs/dbraw/zinc/52/27/78/875522778.db2.gz MDHFEHAYLBODHF-OAHLLOKOSA-N 0 0 406.573 4.415 20 30 HIEDRN COC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)cc1Br ZINC000462497393 875610435 /nfs/dbraw/zinc/61/04/35/875610435.db2.gz WRGFOKRBPMDSKH-LBPRGKRZSA-N 0 0 401.260 4.158 20 30 HIEDRN COc1cc(C)c(Br)cc1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000462526066 875642716 /nfs/dbraw/zinc/64/27/16/875642716.db2.gz LFKBCUDNPADACN-UHFFFAOYSA-N 0 0 408.683 4.342 20 30 HIEDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000462540670 875662623 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400.486 4.220 20 30 HIEDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000462716966 875797804 /nfs/dbraw/zinc/79/78/04/875797804.db2.gz GEZQTDIVFSAYKF-SJKOYZFVSA-N 0 0 412.408 4.488 20 30 HIEDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000462719530 875798548 /nfs/dbraw/zinc/79/85/48/875798548.db2.gz FZXAYNMDHHIDGO-SJCJKPOMSA-N 0 0 412.408 4.488 20 30 HIEDRN COc1ccc2c(c1)CN(CC(=O)NC1(C#N)CCCCC1)[C@@H](c1ccccc1)C2 ZINC000468910150 882966053 /nfs/dbraw/zinc/96/60/53/882966053.db2.gz IUIVGTZZOCJZKZ-HSZRJFAPSA-N 0 0 403.526 4.137 20 30 HIEDRN COc1cc(OC)cc(-c2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)n2)c1 ZINC000462839149 875873398 /nfs/dbraw/zinc/87/33/98/875873398.db2.gz UDRNSFPQYCSOJK-UHFFFAOYSA-N 0 0 417.440 4.447 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cc(F)c(Br)c(F)c3)n2)c1 ZINC000462848468 875883255 /nfs/dbraw/zinc/88/32/55/875883255.db2.gz RHHUGWFRWTULQZ-UHFFFAOYSA-N 0 0 403.186 4.037 20 30 HIEDRN 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CCOCCOCc1cccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000465609425 879103920 /nfs/dbraw/zinc/10/39/20/879103920.db2.gz UTKFZIYZTUKSQY-RPWUZVMVSA-N 0 0 421.541 4.221 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000503426474 912421905 /nfs/dbraw/zinc/42/19/05/912421905.db2.gz HGWGCHJNQMNEJN-LJQANCHMSA-N 0 0 418.291 4.197 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465631756 879142759 /nfs/dbraw/zinc/14/27/59/879142759.db2.gz KOSJAWGPFGFYPM-VWNXMTODSA-N 0 0 413.525 4.471 20 30 HIEDRN C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000465633520 879146788 /nfs/dbraw/zinc/14/67/88/879146788.db2.gz QZOZWBDZEHXXKD-HNNXBMFYSA-N 0 0 413.547 4.283 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000465652060 879175740 /nfs/dbraw/zinc/17/57/40/879175740.db2.gz HTLUOQPYRTVWRE-AOMKIAJQSA-N 0 0 412.484 4.376 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000465652145 879175986 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20 30 HIEDRN CC(C)(CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000465807275 879422379 /nfs/dbraw/zinc/42/23/79/879422379.db2.gz HMPYUOHGZKLAPQ-PMACEKPBSA-N 0 0 405.498 4.174 20 30 HIEDRN C=CCc1cc(CNC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc(OC)c1OC ZINC000465813028 879433245 /nfs/dbraw/zinc/43/32/45/879433245.db2.gz OBYSHGGJRSLRLD-JPYJTQIMSA-N 0 0 424.541 4.412 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000465836477 879472281 /nfs/dbraw/zinc/47/22/81/879472281.db2.gz KJJZKUQEGZZVLU-ICSRJNTNSA-N 0 0 408.571 4.436 20 30 HIEDRN CSc1ccc(F)cc1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000465869562 879519661 /nfs/dbraw/zinc/51/96/61/879519661.db2.gz HNPPSLLLMZXAMW-KRWDZBQOSA-N 0 0 416.497 4.027 20 30 HIEDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000465870356 879521853 /nfs/dbraw/zinc/52/18/53/879521853.db2.gz IBHLMXSPGBBTDY-SFTDATJTSA-N 0 0 408.521 4.329 20 30 HIEDRN Cc1ccc(O[C@H](C)CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000465889901 879545827 /nfs/dbraw/zinc/54/58/27/879545827.db2.gz JOPMFYZCOQBROA-HOHBBMLPSA-N 0 0 407.514 4.323 20 30 HIEDRN N#C[C@H]1CN(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CCO1 ZINC000465969801 879638038 /nfs/dbraw/zinc/63/80/38/879638038.db2.gz RUEXBCBKVHFFLD-HNNXBMFYSA-N 0 0 406.269 4.220 20 30 HIEDRN CC(C)C(=O)NCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000503457084 912482805 /nfs/dbraw/zinc/48/28/05/912482805.db2.gz XVUSEFVEAAJZRM-UHFFFAOYSA-N 0 0 414.893 4.240 20 30 HIEDRN COC(=O)c1cc2cc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc2o1 ZINC000503457964 912485464 /nfs/dbraw/zinc/48/54/64/912485464.db2.gz ZBSQYEBYEMLEMX-UHFFFAOYSA-N 0 0 401.422 4.412 20 30 HIEDRN CO[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000466100067 879817461 /nfs/dbraw/zinc/81/74/61/879817461.db2.gz YUMBTVVKSVRHMN-NRFANRHFSA-N 0 0 413.905 4.152 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000466103424 879819735 /nfs/dbraw/zinc/81/97/35/879819735.db2.gz CKVBWORDDLFLSV-LJQANCHMSA-N 0 0 414.303 4.246 20 30 HIEDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000466130662 879843238 /nfs/dbraw/zinc/84/32/38/879843238.db2.gz PITHORUUECNMRE-SZOBAZRNSA-N 0 0 422.960 4.457 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000466189941 879883222 /nfs/dbraw/zinc/88/32/22/879883222.db2.gz CBWOTEDCVKUIKY-UHFFFAOYSA-N 0 0 413.346 4.436 20 30 HIEDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000466189840 879883610 /nfs/dbraw/zinc/88/36/10/879883610.db2.gz BCXWNWBNUBQIJE-IYBDPMFKSA-N 0 0 408.477 4.137 20 30 HIEDRN COc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000466207957 879897747 /nfs/dbraw/zinc/89/77/47/879897747.db2.gz MPAVBTVSXFKLAL-ZDUSSCGKSA-N 0 0 423.391 4.097 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(Cl)c1 ZINC000503475633 912514213 /nfs/dbraw/zinc/51/42/13/912514213.db2.gz GEEVTTFJLQIHLV-OAHLLOKOSA-N 0 0 403.916 4.347 20 30 HIEDRN CC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1c(C)nn(C)c1C ZINC000466263280 879994065 /nfs/dbraw/zinc/99/40/65/879994065.db2.gz HVSPTTNWAUXIKB-OAHLLOKOSA-N 0 0 409.412 4.123 20 30 HIEDRN CS(=O)(=O)c1cccc([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccccc2)c1 ZINC000466267228 880001470 /nfs/dbraw/zinc/00/14/70/880001470.db2.gz XAGFTOJSDJIRNY-QFIPXVFZSA-N 0 0 419.506 4.067 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466277468 880016627 /nfs/dbraw/zinc/01/66/27/880016627.db2.gz ZSQQOWDUWKEALS-UHFFFAOYSA-N 0 0 411.801 4.222 20 30 HIEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000466290596 880034811 /nfs/dbraw/zinc/03/48/11/880034811.db2.gz USZHMVUFGQNXTR-SFHVURJKSA-N 0 0 403.251 4.202 20 30 HIEDRN Cc1ccc(-c2cncc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2)cc1 ZINC000466305697 880056208 /nfs/dbraw/zinc/05/62/08/880056208.db2.gz FBNXWJUWWIQVOH-UHFFFAOYSA-N 0 0 424.504 4.420 20 30 HIEDRN COc1ccc(CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C(C)(C)C)c(OC)c1 ZINC000466336890 880092176 /nfs/dbraw/zinc/09/21/76/880092176.db2.gz JAVAUESMAWPFMJ-UHFFFAOYSA-N 0 0 418.497 4.202 20 30 HIEDRN C=CCn1c2nnc(SC[C@@H]3CCC4(CCCCC4)O3)n2c2ccccc2c1=O ZINC000466415790 880185950 /nfs/dbraw/zinc/18/59/50/880185950.db2.gz PRXDOQJJAWAYFF-INIZCTEOSA-N 0 0 410.543 4.204 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(COc2ccccc2F)on1 ZINC000466424614 880198450 /nfs/dbraw/zinc/19/84/50/880198450.db2.gz JAMHHTPPKPQBGT-UHFFFAOYSA-N 0 0 418.346 4.193 20 30 HIEDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C12CCCC2 ZINC000466439779 880214523 /nfs/dbraw/zinc/21/45/23/880214523.db2.gz ALPFWQFPHYMRHI-DLBZAZTESA-N 0 0 411.424 4.359 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2cnn(C)c2C)no1 ZINC000466478199 880260113 /nfs/dbraw/zinc/26/01/13/880260113.db2.gz XFIAEWDMRUUCNM-UHFFFAOYSA-N 0 0 406.515 4.044 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1=O ZINC000466504911 880279048 /nfs/dbraw/zinc/27/90/48/880279048.db2.gz JTEMVBFVUJSPSN-LJQANCHMSA-N 0 0 420.406 4.370 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000466535629 880309683 /nfs/dbraw/zinc/30/96/83/880309683.db2.gz HCGOOEJAVWMUKZ-MRXNPFEDSA-N 0 0 422.485 4.213 20 30 HIEDRN CC1CCC(N(C[C@H]2CCCO2)C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466600301 880370181 /nfs/dbraw/zinc/37/01/81/880370181.db2.gz JEOGYQHMZPYMNU-CTWPCTMYSA-N 0 0 400.523 4.356 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000466599859 880370266 /nfs/dbraw/zinc/37/02/66/880370266.db2.gz HSHPRYHPMPHUMB-HOCLYGCPSA-N 0 0 404.392 4.461 20 30 HIEDRN CC[C@H](CNC(=O)Nc1ncccc1OCCCC#N)Oc1cccc(Cl)c1 ZINC000466606116 880376228 /nfs/dbraw/zinc/37/62/28/880376228.db2.gz GADVJTQBJVROPR-MRXNPFEDSA-N 0 0 402.882 4.397 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000466608881 880379146 /nfs/dbraw/zinc/37/91/46/880379146.db2.gz QKZKFJLTLCXDQN-SFHVURJKSA-N 0 0 400.866 4.023 20 30 HIEDRN COc1ccccc1-n1c(SCCCSCC#N)nnc1N1CCCCC1 ZINC000466610882 880380559 /nfs/dbraw/zinc/38/05/59/880380559.db2.gz RIIODIPMJITQEV-UHFFFAOYSA-N 0 0 403.577 4.005 20 30 HIEDRN CC(=O)N(Cc1ccc(NC(=O)Nc2ncccc2OCCCC#N)cc1)C(C)C ZINC000466610968 880381560 /nfs/dbraw/zinc/38/15/60/880381560.db2.gz NNMZTEKTAYYCMU-UHFFFAOYSA-N 0 0 409.490 4.165 20 30 HIEDRN COc1ccc(C[C@H]2CCCN(C(=O)Nc3ncccc3OCCCC#N)C2)cc1 ZINC000466614214 880384807 /nfs/dbraw/zinc/38/48/07/880384807.db2.gz PLLRZGCQRPYKKU-LJQANCHMSA-N 0 0 408.502 4.259 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCCc1ccccc1OC(F)(F)F ZINC000466615248 880386125 /nfs/dbraw/zinc/38/61/25/880386125.db2.gz DFTPFTHJLZOXQA-UHFFFAOYSA-N 0 0 408.380 4.027 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000466615331 880386259 /nfs/dbraw/zinc/38/62/59/880386259.db2.gz FKQJEJYQKNIQEO-QHCPKHFHSA-N 0 0 424.541 4.459 20 30 HIEDRN CCOc1ccc(C2=CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1 ZINC000466616729 880387547 /nfs/dbraw/zinc/38/75/47/880387547.db2.gz FQJJDGLBTUGQJU-UHFFFAOYSA-N 0 0 406.486 4.484 20 30 HIEDRN N#CCCCOc1cccnc1NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000466618429 880388331 /nfs/dbraw/zinc/38/83/31/880388331.db2.gz GDEOWPDEHZABHO-UHFFFAOYSA-N 0 0 403.273 4.264 20 30 HIEDRN CN(CCCOc1cccc(Cl)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000466622862 880394205 /nfs/dbraw/zinc/39/42/05/880394205.db2.gz JDTVGVUIOFTAHA-UHFFFAOYSA-N 0 0 402.882 4.350 20 30 HIEDRN C=CCN(C(=O)Cc1c(C)oc2ccccc21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000466648696 880425223 /nfs/dbraw/zinc/42/52/23/880425223.db2.gz OYIKMFQQRBBSAB-INIZCTEOSA-N 0 0 401.470 4.035 20 30 HIEDRN CC1(C)CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000466669994 880454358 /nfs/dbraw/zinc/45/43/58/880454358.db2.gz UKZLBLXXAHKJGS-QFIPXVFZSA-N 0 0 419.525 4.355 20 30 HIEDRN Cn1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1=O ZINC000503521377 912570186 /nfs/dbraw/zinc/57/01/86/912570186.db2.gz NVUJUSKPHYATDA-CYBMUJFWSA-N 0 0 404.278 4.306 20 30 HIEDRN CC[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000466679593 880468769 /nfs/dbraw/zinc/46/87/69/880468769.db2.gz KKWOJUPUGAZXDO-AWEZNQCLSA-N 0 0 423.464 4.016 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000466750565 880532622 /nfs/dbraw/zinc/53/26/22/880532622.db2.gz WOVJHONFBVDQOS-IERDGZPVSA-N 0 0 418.497 4.127 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000466754691 880535068 /nfs/dbraw/zinc/53/50/68/880535068.db2.gz PGSBULAEJLYLNU-UHFFFAOYSA-N 0 0 423.847 4.171 20 30 HIEDRN Cc1ccc(-n2cc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)cn2)c(C)c1 ZINC000466758046 880537747 /nfs/dbraw/zinc/53/77/47/880537747.db2.gz XLGHWXOIFYUJDH-HNNXBMFYSA-N 0 0 405.527 4.350 20 30 HIEDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Nc3cc(C#N)ccc3OC(C)C)ccc2NC1=O ZINC000466776529 880556136 /nfs/dbraw/zinc/55/61/36/880556136.db2.gz IQCGJFMZVBTBRX-IFXJQAMLSA-N 0 0 422.485 4.338 20 30 HIEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000466801150 880578728 /nfs/dbraw/zinc/57/87/28/880578728.db2.gz LTIOJNPDXFVAQJ-UHFFFAOYSA-N 0 0 416.447 4.307 20 30 HIEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)NCCc2cccc(C#N)c2)cn1 ZINC000466814401 880588986 /nfs/dbraw/zinc/58/89/86/880588986.db2.gz RIZIYTSYKKJWCX-UHFFFAOYSA-N 0 0 402.454 4.427 20 30 HIEDRN N#Cc1nnc2ccccc2c1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000466817758 880591934 /nfs/dbraw/zinc/59/19/34/880591934.db2.gz VMDOFWJMMXQUEC-LBPRGKRZSA-N 0 0 418.810 4.259 20 30 HIEDRN CCCN(Cc1ccccc1Br)C(=O)NCCc1cccc(C#N)c1 ZINC000466823593 880596237 /nfs/dbraw/zinc/59/62/37/880596237.db2.gz GPSMKGSCZGLOCQ-UHFFFAOYSA-N 0 0 400.320 4.485 20 30 HIEDRN CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000466886688 880653664 /nfs/dbraw/zinc/65/36/64/880653664.db2.gz FQIMDIZDLLXABJ-GOSISDBHSA-N 0 0 405.889 4.766 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(F)ccc3Br)C2)n1 ZINC000466908541 880675995 /nfs/dbraw/zinc/67/59/95/880675995.db2.gz DGFCJFFWLALFDH-AWEZNQCLSA-N 0 0 417.282 4.018 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000466913256 880681135 /nfs/dbraw/zinc/68/11/35/880681135.db2.gz HODOGVDCRWVPSU-UHFFFAOYSA-N 0 0 413.433 4.316 20 30 HIEDRN COC[C@@H]1CCCCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000467096342 880860131 /nfs/dbraw/zinc/86/01/31/880860131.db2.gz YIKIJJLJTGWXQX-OAQYLSRUSA-N 0 0 420.509 4.153 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000467112533 880871140 /nfs/dbraw/zinc/87/11/40/880871140.db2.gz WNZZMFVZDUOFBS-AWEZNQCLSA-N 0 0 423.826 4.334 20 30 HIEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467145329 880885250 /nfs/dbraw/zinc/88/52/50/880885250.db2.gz YRCWNERCAYAOGQ-SNVBAGLBSA-N 0 0 404.360 4.237 20 30 HIEDRN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000467146367 880885918 /nfs/dbraw/zinc/88/59/18/880885918.db2.gz HXYAGYLJLZMFCP-UHFFFAOYSA-N 0 0 415.465 4.195 20 30 HIEDRN N#CC1(NC(=O)CN2CCC[C@@H]2c2cc(F)cc(Br)c2)CCCCC1 ZINC000467191927 880918996 /nfs/dbraw/zinc/91/89/96/880918996.db2.gz RPKYADNKJPWPAK-QGZVFWFLSA-N 0 0 408.315 4.068 20 30 HIEDRN N#Cc1ccc(NC(=O)CCN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1Cl ZINC000467191312 880919186 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HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ncc(-c4ccccc4)s3)C2)n1 ZINC000471354332 885972891 /nfs/dbraw/zinc/97/28/91/885972891.db2.gz SFHCRAXMNUHLAK-GOSISDBHSA-N 0 0 403.511 4.240 20 30 HIEDRN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)nn1CCC#N ZINC000504087746 912994763 /nfs/dbraw/zinc/99/47/63/912994763.db2.gz PBXGCPUFRZUVCK-UHFFFAOYSA-N 0 0 404.499 4.375 20 30 HIEDRN COc1ccc(F)cc1-c1csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 ZINC000504087132 912996342 /nfs/dbraw/zinc/99/63/42/912996342.db2.gz FVWFJOVKGDLHMY-HXUWFJFHSA-N 0 0 419.478 4.158 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccco3)Cc3cccs3)C2)n1 ZINC000471371610 886009977 /nfs/dbraw/zinc/00/99/77/886009977.db2.gz YHCPGPQNZQGNER-IBGZPJMESA-N 0 0 420.538 4.362 20 30 HIEDRN Cc1cc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)nn1CCC#N ZINC000504088915 912998518 /nfs/dbraw/zinc/99/85/18/912998518.db2.gz SMFVIIXQAPJGRS-UHFFFAOYSA-N 0 0 420.860 4.457 20 30 HIEDRN N#Cc1cc(NC(=O)NCC2(c3ccc(F)cc3)CC2)ccc1OCC(F)(F)F ZINC000504088875 912998722 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405.479 4.083 20 30 HIEDRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000472284366 887102162 /nfs/dbraw/zinc/10/21/62/887102162.db2.gz HIOWVNAGQOLTFE-VBKZILBWSA-N 0 0 415.356 4.497 20 30 HIEDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000472284365 887102424 /nfs/dbraw/zinc/10/24/24/887102424.db2.gz HIOWVNAGQOLTFE-JLTOFOAXSA-N 0 0 415.356 4.497 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472305170 887130028 /nfs/dbraw/zinc/13/00/28/887130028.db2.gz JFNXWRDPXIVTQG-WOJBJXKFSA-N 0 0 402.420 4.321 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000472311816 887139990 /nfs/dbraw/zinc/13/99/90/887139990.db2.gz IYCKGOXZJSTMOB-RXVVDRJESA-N 0 0 414.456 4.191 20 30 HIEDRN COCCOc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000472352567 887186016 /nfs/dbraw/zinc/18/60/16/887186016.db2.gz XIGFFQGZLBOWAS-UHFFFAOYSA-N 0 0 411.807 4.166 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C 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C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000472849073 887704100 /nfs/dbraw/zinc/70/41/00/887704100.db2.gz HVIMSADCRJOHLI-NRFANRHFSA-N 0 0 422.525 4.178 20 30 HIEDRN NC(=O)c1ccc(CN(C(=O)Nc2ccccc2C#Cc2ccccc2)C2CC2)cc1 ZINC000472874427 887726969 /nfs/dbraw/zinc/72/69/69/887726969.db2.gz MCLUTFPQUKCVDC-UHFFFAOYSA-N 0 0 409.489 4.382 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCC(C(C)(C)C)CC2)nnc1-c1ccco1 ZINC000472916062 887762363 /nfs/dbraw/zinc/76/23/63/887762363.db2.gz CYSPRFDCKSNQJT-UHFFFAOYSA-N 0 0 402.564 4.491 20 30 HIEDRN C[C@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cn(-c2ccccc2)nn1 ZINC000472920547 887767385 /nfs/dbraw/zinc/76/73/85/887767385.db2.gz DACDADQVTBEBKT-SFHVURJKSA-N 0 0 423.476 4.209 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(CCc3ccccc3)c3ccccc3)CC2)o1 ZINC000472920321 887767551 /nfs/dbraw/zinc/76/75/51/887767551.db2.gz CFUCXQIQWNARHY-UHFFFAOYSA-N 0 0 414.509 4.347 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000472927580 887775740 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0 403.413 4.247 20 30 HIEDRN CCc1[nH]nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1-c1ccc2c(c1)OCO2 ZINC000480194877 895593529 /nfs/dbraw/zinc/59/35/29/895593529.db2.gz HHMDVKNZDRMVCU-UHFFFAOYSA-N 0 0 402.454 4.421 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccccc2c(=O)n1C ZINC000505321368 913983701 /nfs/dbraw/zinc/98/37/01/913983701.db2.gz UALKUQIFSXWFSP-UHFFFAOYSA-N 0 0 410.433 4.158 20 30 HIEDRN COc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1OCc1cccnc1 ZINC000505324631 913988072 /nfs/dbraw/zinc/98/80/72/913988072.db2.gz CGEWMMRHBGUSJB-UHFFFAOYSA-N 0 0 417.440 4.350 20 30 HIEDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000505327570 913991812 /nfs/dbraw/zinc/99/18/12/913991812.db2.gz WNBWFLGQNSKXPV-CYBMUJFWSA-N 0 0 406.298 4.154 20 30 HIEDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000505327571 913992502 /nfs/dbraw/zinc/99/25/02/913992502.db2.gz WNBWFLGQNSKXPV-ZDUSSCGKSA-N 0 0 406.298 4.154 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)nnc1-c1cccnc1 ZINC000505328556 913992972 /nfs/dbraw/zinc/99/29/72/913992972.db2.gz HKZILMHKIMIXQI-QRQLOZEOSA-N 0 0 413.591 4.338 20 30 HIEDRN CC(C)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C(C)C)c1 ZINC000480295713 895701566 /nfs/dbraw/zinc/70/15/66/895701566.db2.gz SAOWTXLETGYOMS-MRXNPFEDSA-N 0 0 413.543 4.111 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000480308237 895712225 /nfs/dbraw/zinc/71/22/25/895712225.db2.gz HFFYBXUJJMGSSF-LJQANCHMSA-N 0 0 417.868 4.000 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000480315855 895717631 /nfs/dbraw/zinc/71/76/31/895717631.db2.gz CZSGGSOQUNTYKF-KCZVDYSFSA-N 0 0 405.498 4.383 20 30 HIEDRN N#C[C@H](NC(=O)[C@H](c1ccccc1)N1CCSCC1)c1cccc(Cl)c1Cl ZINC000505330673 913995400 /nfs/dbraw/zinc/99/54/00/913995400.db2.gz LQYACJRVUNGARW-HKUYNNGSSA-N 0 0 420.365 4.464 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)c1cccc(Cl)c1Cl ZINC000505331883 913997499 /nfs/dbraw/zinc/99/74/99/913997499.db2.gz SOCMOMZPDJVYHW-YLJYHZDGSA-N 0 0 416.308 4.428 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2(C(N)=O)CCCC2)cc1Cl ZINC000480350828 895756805 /nfs/dbraw/zinc/75/68/05/895756805.db2.gz AFDJAMIPIWSMDP-SFHVURJKSA-N 0 0 410.905 4.163 20 30 HIEDRN C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000480363310 895771188 /nfs/dbraw/zinc/77/11/88/895771188.db2.gz XOFMIZGNTCCBHD-LVKQTNAMSA-N 0 0 403.935 4.226 20 30 HIEDRN CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000480366582 895773194 /nfs/dbraw/zinc/77/31/94/895773194.db2.gz MRHMQNCRSULRBO-UHFFFAOYSA-N 0 0 414.941 4.127 20 30 HIEDRN C[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C(F)(F)F ZINC000480385123 895789900 /nfs/dbraw/zinc/78/99/00/895789900.db2.gz OQSOZDHOLANRRA-VIFPVBQESA-N 0 0 401.439 4.022 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000480403561 895806803 /nfs/dbraw/zinc/80/68/03/895806803.db2.gz SPWWNAKOWKYLKO-UHFFFAOYSA-N 0 0 406.507 4.197 20 30 HIEDRN CCCOc1ccc(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(OC(C)C)c1 ZINC000480413631 895812520 /nfs/dbraw/zinc/81/25/20/895812520.db2.gz HBPWORXLUXQLGG-UHFFFAOYSA-N 0 0 419.485 4.276 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SCCC(=O)Nc1cccc(F)c1 ZINC000480414265 895812644 /nfs/dbraw/zinc/81/26/44/895812644.db2.gz UFZBHJNKKKWMGE-UHFFFAOYSA-N 0 0 412.490 4.303 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2nc3ccccc3n2CC)nnc1-c1ccco1 ZINC000480425339 895820772 /nfs/dbraw/zinc/82/07/72/895820772.db2.gz DWDRXRYFFGSVQI-UHFFFAOYSA-N 0 0 422.514 4.215 20 30 HIEDRN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1nnc2n1CCCCC2 ZINC000480428529 895823025 /nfs/dbraw/zinc/82/30/25/895823025.db2.gz BNHPHOYDJFFBDO-MRXNPFEDSA-N 0 0 401.470 4.159 20 30 HIEDRN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480439496 895829406 /nfs/dbraw/zinc/82/94/06/895829406.db2.gz ONGBVNDXAFIHBX-MOPGFXCFSA-N 0 0 401.293 4.279 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(OC)cc1Br ZINC000480468152 895850519 /nfs/dbraw/zinc/85/05/19/895850519.db2.gz NDVTXFYMGUPLNE-ZDUSSCGKSA-N 0 0 423.332 4.101 20 30 HIEDRN CCOc1cc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1OC(F)F ZINC000480496574 895867242 /nfs/dbraw/zinc/86/72/42/895867242.db2.gz KPGLSLXFJNJFMW-UHFFFAOYSA-N 0 0 404.413 4.032 20 30 HIEDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1OC ZINC000505346810 914011356 /nfs/dbraw/zinc/01/13/56/914011356.db2.gz YIXFUCMJFVYTRF-CYBMUJFWSA-N 0 0 424.240 4.304 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000480514390 895880923 /nfs/dbraw/zinc/88/09/23/895880923.db2.gz UEUFBFVKHTWEJP-UHFFFAOYSA-N 0 0 410.524 4.498 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)Cc3csc4nccn34)c2)cc1 ZINC000480518794 895884290 /nfs/dbraw/zinc/88/42/90/895884290.db2.gz CHGHZCLDOAUPGY-UHFFFAOYSA-N 0 0 402.479 4.222 20 30 HIEDRN COc1cc(OC2CC2)ccc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000480561145 895921144 /nfs/dbraw/zinc/92/11/44/895921144.db2.gz HDMFHMIUMFVILW-UHFFFAOYSA-N 0 0 408.845 4.199 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000480597121 895959440 /nfs/dbraw/zinc/95/94/40/895959440.db2.gz HLKLVKODVDQLKL-JOCHJYFZSA-N 0 0 419.504 4.388 20 30 HIEDRN C[C@@H](NC(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000480623726 895990878 /nfs/dbraw/zinc/99/08/78/895990878.db2.gz PMEZVBPTCIHHQC-PIGZYNQJSA-N 0 0 415.337 4.171 20 30 HIEDRN N#Cc1ccc(CS(=O)(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c(F)c1 ZINC000480722699 896083604 /nfs/dbraw/zinc/08/36/04/896083604.db2.gz BWSZECOELLOGOS-QFIPXVFZSA-N 0 0 408.498 4.143 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480815437 896188460 /nfs/dbraw/zinc/18/84/60/896188460.db2.gz VKRWSRRDSCMGRV-NRFANRHFSA-N 0 0 407.449 4.129 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000505380035 914043881 /nfs/dbraw/zinc/04/38/81/914043881.db2.gz PFWIPGBIKWQIFF-SFHVURJKSA-N 0 0 404.308 4.329 20 30 HIEDRN CCOC(=O)c1csc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)n1 ZINC000480839312 896212860 /nfs/dbraw/zinc/21/28/60/896212860.db2.gz OFPDDNPRFCZIGY-UHFFFAOYSA-N 0 0 423.519 4.273 20 30 HIEDRN CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000480859364 896226713 /nfs/dbraw/zinc/22/67/13/896226713.db2.gz WOAKLXSYHVQJLT-CYBMUJFWSA-N 0 0 414.371 4.176 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000480871755 896233588 /nfs/dbraw/zinc/23/35/88/896233588.db2.gz NRALBBYRPHMSSP-UHFFFAOYSA-N 0 0 416.371 4.209 20 30 HIEDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c(F)c(F)cc(F)c1F ZINC000480885354 896239736 /nfs/dbraw/zinc/23/97/36/896239736.db2.gz PDOVLIUQBHHPKG-UHFFFAOYSA-N 0 0 400.225 4.170 20 30 HIEDRN Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)c2cnn(C)c2n1 ZINC000480888916 896245864 /nfs/dbraw/zinc/24/58/64/896245864.db2.gz IZIUNBXRRVHHJR-UHFFFAOYSA-N 0 0 413.456 4.443 20 30 HIEDRN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000480927655 896282141 /nfs/dbraw/zinc/28/21/41/896282141.db2.gz KPOAOERDMZOAOK-INIZCTEOSA-N 0 0 418.339 4.353 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000480947678 896292647 /nfs/dbraw/zinc/29/26/47/896292647.db2.gz ABYTZOMSZMWPOW-OAHLLOKOSA-N 0 0 415.490 4.102 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)c2cccc(Cl)c2)cc1 ZINC000480965861 896305157 /nfs/dbraw/zinc/30/51/57/896305157.db2.gz BSWOVEHDWNEYAZ-CQSZACIVSA-N 0 0 419.934 4.125 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)cc1 ZINC000480968543 896307405 /nfs/dbraw/zinc/30/74/05/896307405.db2.gz UBMIZCLUBDOBMD-VGSWGCGISA-N 0 0 411.527 4.001 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3s2)cc1 ZINC000480969553 896307805 /nfs/dbraw/zinc/30/78/05/896307805.db2.gz WIASSFVEDGVLDK-KGLIPLIRSA-N 0 0 413.524 4.470 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000480971379 896309606 /nfs/dbraw/zinc/30/96/06/896309606.db2.gz NJRVHFWQGYSNQN-MOPGFXCFSA-N 0 0 423.479 4.028 20 30 HIEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C2CCC(C(C)(C)C)CC2)cc1 ZINC000480971654 896309810 /nfs/dbraw/zinc/30/98/10/896309810.db2.gz OGWOVJNYSNPDDB-HJOIGYKYSA-N 0 0 405.564 4.441 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000480974665 896312552 /nfs/dbraw/zinc/31/25/52/896312552.db2.gz BFBDUHJKDVAGLN-MOPGFXCFSA-N 0 0 419.344 4.051 20 30 HIEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000480996639 896329124 /nfs/dbraw/zinc/32/91/24/896329124.db2.gz DZNVEXICRFKNAX-YEWWUXTCSA-N 0 0 417.918 4.093 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1 ZINC000481020919 896350931 /nfs/dbraw/zinc/35/09/31/896350931.db2.gz VCHCILXVDPNRIN-STXHMFSFSA-N 0 0 415.490 4.126 20 30 HIEDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)C2)cc1 ZINC000481046253 896369898 /nfs/dbraw/zinc/36/98/98/896369898.db2.gz ZLMQEXILUINRLL-ZIFCJYIRSA-N 0 0 411.527 4.091 20 30 HIEDRN 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ZINC000481122323 896449686 /nfs/dbraw/zinc/44/96/86/896449686.db2.gz VNLVOBGTJJZVHQ-UHFFFAOYSA-N 0 0 402.454 4.112 20 30 HIEDRN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481136935 896463408 /nfs/dbraw/zinc/46/34/08/896463408.db2.gz NVMVWKHPAQCSKZ-WIYYLYMNSA-N 0 0 423.488 4.300 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)CC2)c1 ZINC000505405885 914071406 /nfs/dbraw/zinc/07/14/06/914071406.db2.gz VRJYXMBKHKSFDS-UHFFFAOYSA-N 0 0 400.413 4.015 20 30 HIEDRN COC(=O)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1cccs1 ZINC000481171800 896507180 /nfs/dbraw/zinc/50/71/80/896507180.db2.gz QFHCPKZGPVSGEA-LJQANCHMSA-N 0 0 408.504 4.415 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)c(F)c3)ccc21 ZINC000505411225 914075731 /nfs/dbraw/zinc/07/57/31/914075731.db2.gz WNZZTCFLJNUTOA-UHFFFAOYSA-N 0 0 415.852 4.080 20 30 HIEDRN CC(C)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481197106 896550269 /nfs/dbraw/zinc/55/02/69/896550269.db2.gz 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/nfs/dbraw/zinc/24/21/14/902242114.db2.gz CAVJXZVHQGQXIY-OAQYLSRUSA-N 0 0 419.554 4.278 20 30 HIEDRN Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000487643826 902269777 /nfs/dbraw/zinc/26/97/77/902269777.db2.gz RQHDVBTYWUEENF-SFTDATJTSA-N 0 0 420.557 4.304 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000487688574 902293806 /nfs/dbraw/zinc/29/38/06/902293806.db2.gz MHAKBHCOCROMGK-HXUWFJFHSA-N 0 0 411.461 4.305 20 30 HIEDRN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000487725575 902319664 /nfs/dbraw/zinc/31/96/64/902319664.db2.gz JAGKNZBPSCOJCP-XZOQPEGZSA-N 0 0 419.525 4.492 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@](C)(O)C(C)C ZINC000487728427 902320985 /nfs/dbraw/zinc/32/09/85/902320985.db2.gz UDFBJWOGBGZZGJ-QFIPXVFZSA-N 0 0 415.559 4.162 20 30 HIEDRN N#Cc1ccc(CC(=O)N2CCC[C@H]2c2ccccc2I)cc1 ZINC000505958106 914615487 /nfs/dbraw/zinc/61/54/87/914615487.db2.gz CAYFCFMMZDSCGI-SFHVURJKSA-N 0 0 416.262 4.069 20 30 HIEDRN N#CCCN(C(=O)CNc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccccc1 ZINC000487764012 902348938 /nfs/dbraw/zinc/34/89/38/902348938.db2.gz SBAHFMSPJLAKEE-UHFFFAOYSA-N 0 0 424.504 4.248 20 30 HIEDRN CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(C#N)c(Br)c2)o1 ZINC000487832834 902395289 /nfs/dbraw/zinc/39/52/89/902395289.db2.gz FODAVIYXSSQTEF-INIZCTEOSA-N 0 0 404.264 4.082 20 30 HIEDRN CC(C)CCn1ncc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C(C)C ZINC000487834072 902396865 /nfs/dbraw/zinc/39/68/65/902396865.db2.gz HCFSSCWHBJXJJG-UHFFFAOYSA-N 0 0 421.545 4.054 20 30 HIEDRN C=CCn1c(SC[C@H](O)Cc2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000487855968 902408424 /nfs/dbraw/zinc/40/84/24/902408424.db2.gz MDWOQISYDQSCDW-GOSISDBHSA-N 0 0 415.946 4.489 20 30 HIEDRN C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000487862378 902413113 /nfs/dbraw/zinc/41/31/13/902413113.db2.gz SPRKTQJPKHJPNI-KUHUBIRLSA-N 0 0 403.404 4.249 20 30 HIEDRN Cc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)nnn1-c1cccc(C)c1 ZINC000505964765 914626271 /nfs/dbraw/zinc/62/62/71/914626271.db2.gz FFQRVOUGXJPNAR-QGZVFWFLSA-N 0 0 400.269 4.186 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1Br ZINC000487925096 902458042 /nfs/dbraw/zinc/45/80/42/902458042.db2.gz VBDWTGUDHQKVJT-INIZCTEOSA-N 0 0 408.683 4.219 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)cc1Br ZINC000487929262 902459204 /nfs/dbraw/zinc/45/92/04/902459204.db2.gz AFIGCDCALUNMMC-IBGZPJMESA-N 0 0 414.303 4.126 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487929813 902459893 /nfs/dbraw/zinc/45/98/93/902459893.db2.gz AYXDLRALBSDTJS-VFAJRCTISA-N 0 0 406.324 4.114 20 30 HIEDRN N#C[C@@H](NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2)C1CC1 ZINC000505967103 914628562 /nfs/dbraw/zinc/62/85/62/914628562.db2.gz ZXGIOJYOMUUAFV-KDHISYJLSA-N 0 0 423.472 4.482 20 30 HIEDRN Cn1c(SCc2ccccc2C(C)(C)C#N)nnc1[C@H]1COc2ccccc2O1 ZINC000487982659 902503775 /nfs/dbraw/zinc/50/37/75/902503775.db2.gz SGCXRAJMUBZWMN-LJQANCHMSA-N 0 0 406.511 4.421 20 30 HIEDRN CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487985551 902508382 /nfs/dbraw/zinc/50/83/82/902508382.db2.gz RCLSBUZTDJUTBR-QGZVFWFLSA-N 0 0 402.292 4.126 20 30 HIEDRN Cc1nc(COc2ccccc2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)no1 ZINC000505970868 914631984 /nfs/dbraw/zinc/63/19/84/914631984.db2.gz LKKWQNRKBCTWOJ-MRXNPFEDSA-N 0 0 417.252 4.259 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1NC(=O)c1ccc(Br)cc1 ZINC000505972603 914634881 /nfs/dbraw/zinc/63/48/81/914634881.db2.gz YPDOFBHRDHYAEH-GOSISDBHSA-N 0 0 412.287 4.042 20 30 HIEDRN N#C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000505972537 914636020 /nfs/dbraw/zinc/63/60/20/914636020.db2.gz YAFUCKUDHFQKFB-GOSISDBHSA-N 0 0 406.379 4.274 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)NCCc4cccs4)CC3)c2c1 ZINC000488061643 902575165 /nfs/dbraw/zinc/57/51/65/902575165.db2.gz ZWGGXIGMSOHLSW-UHFFFAOYSA-N 0 0 404.539 4.052 20 30 HIEDRN N#C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)C1CC1 ZINC000505975331 914638854 /nfs/dbraw/zinc/63/88/54/914638854.db2.gz DHELUPFSMVSESF-CQSZACIVSA-N 0 0 417.416 4.047 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000488085174 902591234 /nfs/dbraw/zinc/59/12/34/902591234.db2.gz SBAYYAJOOGQOKX-FOIQADDNSA-N 0 0 406.511 4.358 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N[C@@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)c2c1 ZINC000488091782 902596400 /nfs/dbraw/zinc/59/64/00/902596400.db2.gz SZAHVOKPPLWJMS-SFHVURJKSA-N 0 0 413.525 4.266 20 30 HIEDRN CCCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[C@@H](C)C1 ZINC000488096904 902600629 /nfs/dbraw/zinc/60/06/29/902600629.db2.gz GAVUUUCPUNGYMY-GDBMZVCRSA-N 0 0 407.461 4.306 20 30 HIEDRN COC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000488103430 902606534 /nfs/dbraw/zinc/60/65/34/902606534.db2.gz RWVMFSHOCLXHJU-SFHVURJKSA-N 0 0 403.935 4.128 20 30 HIEDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000488110426 902611778 /nfs/dbraw/zinc/61/17/78/902611778.db2.gz MADANDHILXJWKO-PMERELPUSA-N 0 0 418.518 4.147 20 30 HIEDRN C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000488130522 902628039 /nfs/dbraw/zinc/62/80/39/902628039.db2.gz DVHXJHHBBFSUQF-OXQOHEQNSA-N 0 0 402.416 4.229 20 30 HIEDRN N#C[C@H](NC(=O)CCN1C(=O)CCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000505980343 914643595 /nfs/dbraw/zinc/64/35/95/914643595.db2.gz ABRFXOPQTRTJRF-KRWDZBQOSA-N 0 0 402.281 4.044 20 30 HIEDRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c12 ZINC000505980580 914643640 /nfs/dbraw/zinc/64/36/40/914643640.db2.gz COZLTJVKUXJEFW-KRWDZBQOSA-N 0 0 414.296 4.456 20 30 HIEDRN N#C[C@H](NC(=O)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000505982372 914646003 /nfs/dbraw/zinc/64/60/03/914646003.db2.gz RRTGITFYLQIQCU-VQTJNVASSA-N 0 0 418.415 4.323 20 30 HIEDRN COCc1cccc(CNC(=O)CNc2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000488205122 902687750 /nfs/dbraw/zinc/68/77/50/902687750.db2.gz WLBXMLUQJBHZKF-UHFFFAOYSA-N 0 0 401.466 4.225 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000488209201 902691454 /nfs/dbraw/zinc/69/14/54/902691454.db2.gz HIXNNZOIQTVXJI-UHFFFAOYSA-N 0 0 411.364 4.050 20 30 HIEDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488215181 902696533 /nfs/dbraw/zinc/69/65/33/902696533.db2.gz GUSXMGNMOGKMNM-UHFFFAOYSA-N 0 0 418.409 4.318 20 30 HIEDRN N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000488241247 902716521 /nfs/dbraw/zinc/71/65/21/902716521.db2.gz JOWSAWLXGOYTPE-UHFFFAOYSA-N 0 0 420.250 4.413 20 30 HIEDRN CCOc1ccccc1[C@H](CC)NC(=O)COc1c(C#N)cnc2ccc(C)cc21 ZINC000488258063 902730242 /nfs/dbraw/zinc/73/02/42/902730242.db2.gz DIXDVJWSDGPUAZ-FQEVSTJZSA-N 0 0 403.482 4.460 20 30 HIEDRN Cc1ccc2ncc(C#N)c(OCc3nnc(-c4ccc(Br)o4)o3)c2c1 ZINC000488289587 902751787 /nfs/dbraw/zinc/75/17/87/902751787.db2.gz GDQSKKXMMYKXIH-UHFFFAOYSA-N 0 0 411.215 4.399 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000488293553 902756366 /nfs/dbraw/zinc/75/63/66/902756366.db2.gz JMJVIVVZIVPJIZ-DHLKQENFSA-N 0 0 423.516 4.263 20 30 HIEDRN C=CCn1c(SC[C@H](O)CSC)nc2scc(-c3cccs3)c2c1=O ZINC000488333362 902769996 /nfs/dbraw/zinc/76/99/96/902769996.db2.gz OGYNTOWCVRROJX-LLVKDONJSA-N 0 0 410.611 4.189 20 30 HIEDRN C=CC[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000488335709 902772048 /nfs/dbraw/zinc/77/20/48/902772048.db2.gz QAWGFPUQMTXKFR-LJQANCHMSA-N 0 0 415.331 4.045 20 30 HIEDRN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1OC ZINC000488338483 902773511 /nfs/dbraw/zinc/77/35/11/902773511.db2.gz VGUWRGPWHRIHKL-UHFFFAOYSA-N 0 0 410.451 4.169 20 30 HIEDRN CC(C)CCn1ncc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1C(C)C ZINC000488337135 902773544 /nfs/dbraw/zinc/77/35/44/902773544.db2.gz VLMVDWCVFPEZCQ-UHFFFAOYSA-N 0 0 401.898 4.155 20 30 HIEDRN Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)NCC(=O)c2ccc(C#N)cc2)cs1 ZINC000488341124 902776134 /nfs/dbraw/zinc/77/61/34/902776134.db2.gz BGRMHBQYPBJUCE-UHFFFAOYSA-N 0 0 421.497 4.406 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000488395069 902804969 /nfs/dbraw/zinc/80/49/69/902804969.db2.gz GVJYTXCKPNZREH-UNMCSNQZSA-N 0 0 408.477 4.187 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1OC ZINC000488400854 902808792 /nfs/dbraw/zinc/80/87/92/902808792.db2.gz DYWLJFXPQANZJX-UHFFFAOYSA-N 0 0 417.527 4.226 20 30 HIEDRN CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 ZINC000505991062 914661382 /nfs/dbraw/zinc/66/13/82/914661382.db2.gz KBDINROYTXSOHG-GOSISDBHSA-N 0 0 419.312 4.196 20 30 HIEDRN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC000488503492 902859168 /nfs/dbraw/zinc/85/91/68/902859168.db2.gz OQVMPSNXKFDLMR-SCLBCKFNSA-N 0 0 419.859 4.265 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)c2cccc(F)c2C#N)ccc1OCc1ccncc1 ZINC000488628097 902909230 /nfs/dbraw/zinc/90/92/30/902909230.db2.gz MKLLTIQHRFLYBW-OAHLLOKOSA-N 0 0 405.429 4.171 20 30 HIEDRN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000488653776 902921771 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C[C@](NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000488781792 902996094 /nfs/dbraw/zinc/99/60/94/902996094.db2.gz MNFHAVVZHOYXTI-HSZRJFAPSA-N 0 0 418.884 4.086 20 30 HIEDRN COCCOc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000506005521 914675911 /nfs/dbraw/zinc/67/59/11/914675911.db2.gz YGBANAZVOUXPIC-CQSZACIVSA-N 0 0 413.543 4.443 20 30 HIEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000488820010 903024032 /nfs/dbraw/zinc/02/40/32/903024032.db2.gz CAOOAFFSGSCEAG-INIZCTEOSA-N 0 0 410.470 4.316 20 30 HIEDRN CC(C)(C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1cc(F)cc(C#N)c1 ZINC000506008929 914682271 /nfs/dbraw/zinc/68/22/71/914682271.db2.gz GDHVJYUCSVJUKA-UHFFFAOYSA-N 0 0 402.853 4.106 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nnc1-c1ccccc1C ZINC000488877582 903054181 /nfs/dbraw/zinc/05/41/81/903054181.db2.gz HNMPRRFPFKTIRY-UHFFFAOYSA-N 0 0 423.498 4.387 20 30 HIEDRN C=CCn1c(SCC(=O)c2cc(C)ccc2OC)nnc1-c1cccc(OC)c1 ZINC000488885622 903058276 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HIEDRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccc(Cl)c1 ZINC000498205094 907738930 /nfs/dbraw/zinc/73/89/30/907738930.db2.gz MDGXQGWCUAVEDT-IBGZPJMESA-N 0 0 404.919 4.299 20 30 HIEDRN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512844734 921348031 /nfs/dbraw/zinc/34/80/31/921348031.db2.gz OVZIHPSBCLUZJM-ZWKOTPCHSA-N 0 0 409.505 4.115 20 30 HIEDRN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512845972 921349686 /nfs/dbraw/zinc/34/96/86/921349686.db2.gz WJVQYGBWKWUSBE-QHCPKHFHSA-N 0 0 409.505 4.150 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000498300137 907827562 /nfs/dbraw/zinc/82/75/62/907827562.db2.gz VJUWEIPGACIXEG-NSHDSACASA-N 0 0 406.269 4.021 20 30 HIEDRN CCOCCOc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000498308628 907831768 /nfs/dbraw/zinc/83/17/68/907831768.db2.gz KBUFICGUPYRQOU-UHFFFAOYSA-N 0 0 408.376 4.167 20 30 HIEDRN N#Cc1cc(NC(=O)[C@@]2(O)CCSC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000498318372 907837413 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908664863 /nfs/dbraw/zinc/66/48/63/908664863.db2.gz WZBRVJQUGIGHOO-SFHVURJKSA-N 0 0 409.898 4.048 20 30 HIEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CC(C)C)c3ccc(C#N)cc3)C2)cc1 ZINC000499305829 908678041 /nfs/dbraw/zinc/67/80/41/908678041.db2.gz IOHOJHWIDKPIRY-QFIPXVFZSA-N 0 0 403.526 4.408 20 30 HIEDRN COc1ccc(-c2cc3ncn(Cc4ccc(C#N)cc4OC)c(=O)c3s2)cc1 ZINC000499307613 908679837 /nfs/dbraw/zinc/67/98/37/908679837.db2.gz NLIXWPIGIFVUJC-UHFFFAOYSA-N 0 0 403.463 4.062 20 30 HIEDRN Cc1ccc(S(=O)(=O)N[C@@H](CSc2cc(C#N)ccn2)c2ccccc2)cc1 ZINC000499309112 908683360 /nfs/dbraw/zinc/68/33/60/908683360.db2.gz KFDLFTQSLMREPN-FQEVSTJZSA-N 0 0 409.536 4.074 20 30 HIEDRN CC(C)CN(C(=O)c1nn(CC(C)C)c(=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000499322451 908696959 /nfs/dbraw/zinc/69/69/59/908696959.db2.gz FOIPWIBROJJRKR-UHFFFAOYSA-N 0 0 402.498 4.227 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)n1-c1nccs1 ZINC000499390096 908751753 /nfs/dbraw/zinc/75/17/53/908751753.db2.gz RZWCJFLJRJUJQZ-MRXNPFEDSA-N 0 0 415.316 4.308 20 30 HIEDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499395786 908755998 /nfs/dbraw/zinc/75/59/98/908755998.db2.gz QMPSYPHKTJLRCZ-OCBCSQNSSA-N 0 0 412.287 4.038 20 30 HIEDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499395785 908756532 /nfs/dbraw/zinc/75/65/32/908756532.db2.gz QMPSYPHKTJLRCZ-NXOUGTEYSA-N 0 0 412.287 4.038 20 30 HIEDRN N#C[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000499396077 908757480 /nfs/dbraw/zinc/75/74/80/908757480.db2.gz RDTDPUAMCVPBKP-CQSZACIVSA-N 0 0 402.273 4.063 20 30 HIEDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499440105 908800511 /nfs/dbraw/zinc/80/05/11/908800511.db2.gz XCZBBDRKHUTCEM-MEDUHNTESA-N 0 0 420.288 4.219 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)N(CCc3cccc(F)c3)C3CC3)CC2)c(F)c1 ZINC000512967466 921443096 /nfs/dbraw/zinc/44/30/96/921443096.db2.gz QSRWHBUNMNMXCG-UHFFFAOYSA-N 0 0 409.480 4.287 20 30 HIEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000499597656 908851473 /nfs/dbraw/zinc/85/14/73/908851473.db2.gz DAYSDGWAKKSNNI-CYBMUJFWSA-N 0 0 411.343 4.132 20 30 HIEDRN C=CCN1CC[C@@H](N[C@@H](c2ccc(OC)cc2)c2ccc(C(F)(F)F)cc2)C1=O ZINC000499618055 908856820 /nfs/dbraw/zinc/85/68/20/908856820.db2.gz INNKLGLGUZWOMR-WOJBJXKFSA-N 0 0 404.432 4.180 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)cc1 ZINC000499716073 908886697 /nfs/dbraw/zinc/88/66/97/908886697.db2.gz VXBRYRZDWNZIQE-UHFFFAOYSA-N 0 0 423.904 4.041 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000499776200 908915023 /nfs/dbraw/zinc/91/50/23/908915023.db2.gz BZYXRUJTTJIFTF-UHFFFAOYSA-N 0 0 417.259 4.131 20 30 HIEDRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)C2=O)c1 ZINC000499813044 908945079 /nfs/dbraw/zinc/94/50/79/908945079.db2.gz OKNJFVYGBZJGST-MAUKXSAKSA-N 0 0 416.308 4.344 20 30 HIEDRN CCc1cc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)ccc1F ZINC000499843436 908975855 /nfs/dbraw/zinc/97/58/55/908975855.db2.gz SSTDAMDACWCOMB-UHFFFAOYSA-N 0 0 401.441 4.182 20 30 HIEDRN N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000512989595 921457127 /nfs/dbraw/zinc/45/71/27/921457127.db2.gz XLQQJOCKPZBWFI-GDLZYMKVSA-N 0 0 406.482 4.327 20 30 HIEDRN N#C[C@@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1c(Cl)cccc1Cl ZINC000499846409 908982179 /nfs/dbraw/zinc/98/21/79/908982179.db2.gz PJTFAIJLZHJBIO-CQSZACIVSA-N 0 0 422.337 4.045 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)c1c(Cl)cccc1Cl ZINC000499863535 908999553 /nfs/dbraw/zinc/99/95/53/908999553.db2.gz QKDILWDHUPAGDT-MEDUHNTESA-N 0 0 424.234 4.006 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1)c1ccccc1Cl ZINC000499934299 909040360 /nfs/dbraw/zinc/04/03/60/909040360.db2.gz XNRWIKMEUZCDAI-UZLBHIALSA-N 0 0 403.869 4.227 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1Cl ZINC000499953570 909056829 /nfs/dbraw/zinc/05/68/29/909056829.db2.gz ISUGIEZXAVNEIR-DYVFJYSZSA-N 0 0 422.699 4.381 20 30 HIEDRN 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COc1ccc(CNc2ccc(-n3nnnc3C(C)C)c(C)c2)cc1OCCCC#N ZINC000541387038 939503088 /nfs/dbraw/zinc/50/30/88/939503088.db2.gz QNZDMFKORJYCRW-UHFFFAOYSA-N 0 0 420.517 4.397 20 30 HIEDRN CC(=O)NC1CCC(N(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000541421153 939511559 /nfs/dbraw/zinc/51/15/59/939511559.db2.gz MIZJZOYPSAVWPO-UHFFFAOYSA-N 0 0 406.486 4.262 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)C2CC2)cc1 ZINC000541433526 939514990 /nfs/dbraw/zinc/51/49/90/939514990.db2.gz HTRMTEFSSRVWLY-UHFFFAOYSA-N 0 0 423.538 4.471 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000541446889 939518550 /nfs/dbraw/zinc/51/85/50/939518550.db2.gz HHOVTROMWRBQPV-OAHLLOKOSA-N 0 0 410.499 4.479 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000541461433 939524043 /nfs/dbraw/zinc/52/40/43/939524043.db2.gz QMECGTYFZZZKQI-UHFFFAOYSA-N 0 0 406.442 4.499 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000541490201 939534556 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HIEDRN C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccc([N+](=O)[O-])cc1F ZINC000541599479 939563924 /nfs/dbraw/zinc/56/39/24/939563924.db2.gz NQQODHXRFWGURB-NSHDSACASA-N 0 0 413.796 4.187 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2cc(Cl)cc3c2OCC3)n1 ZINC000541603652 939566691 /nfs/dbraw/zinc/56/66/91/939566691.db2.gz RCKVPASDJZHAKO-UHFFFAOYSA-N 0 0 413.264 4.167 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c(C)c1C ZINC000541637192 939579456 /nfs/dbraw/zinc/57/94/56/939579456.db2.gz OKQQEILDMFQGRZ-AZUAARDMSA-N 0 0 413.518 4.146 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c(C)c1C ZINC000541637193 939579795 /nfs/dbraw/zinc/57/97/95/939579795.db2.gz OKQQEILDMFQGRZ-ICSRJNTNSA-N 0 0 413.518 4.146 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000541664384 939595823 /nfs/dbraw/zinc/59/58/23/939595823.db2.gz ZJZLEYDILLOORR-UHFFFAOYSA-N 0 0 423.803 4.339 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(CNc2ccnc(C)n2)c1 ZINC000541693895 939607093 /nfs/dbraw/zinc/60/70/93/939607093.db2.gz XRTUOLWZZUMROH-UHFFFAOYSA-N 0 0 402.498 4.234 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN[C@@H](C)c3ccon3)sc2C1 ZINC000541726938 939615164 /nfs/dbraw/zinc/61/51/64/939615164.db2.gz FXLMGIGWRRBQIW-KBPBESRZSA-N 0 0 400.548 4.438 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1C ZINC000541765526 939624703 /nfs/dbraw/zinc/62/47/03/939624703.db2.gz PNNRVYRNIIMIAH-IBGZPJMESA-N 0 0 406.530 4.112 20 30 HIEDRN Cc1csc([C@H](C)CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1 ZINC000541799196 939636050 /nfs/dbraw/zinc/63/60/50/939636050.db2.gz MJQPZSSMKAFCPE-LLVKDONJSA-N 0 0 400.895 4.088 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000541877031 939648721 /nfs/dbraw/zinc/64/87/21/939648721.db2.gz YCVPRMMSORWROD-OYHNWAKOSA-N 0 0 413.543 4.264 20 30 HIEDRN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NC(C)(C)C#N)c12 ZINC000541900062 939650199 /nfs/dbraw/zinc/65/01/99/939650199.db2.gz HNMXHXSBZTUCCW-UHFFFAOYSA-N 0 0 401.495 4.489 20 30 HIEDRN COc1ccc2c(c1)C[C@@H](C)N(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]2C ZINC000541929186 939656389 /nfs/dbraw/zinc/65/63/89/939656389.db2.gz MRJBIXQGXXGQQJ-RTBURBONSA-N 0 0 419.525 4.256 20 30 HIEDRN N#CC1(CCCS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)CCOCC1 ZINC000541934296 939657537 /nfs/dbraw/zinc/65/75/37/939657537.db2.gz MYFHVMCGIWMHSP-UHFFFAOYSA-N 0 0 408.907 4.010 20 30 HIEDRN C=C[C@@H](CC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F)c1ccccc1 ZINC000541939516 939658759 /nfs/dbraw/zinc/65/87/59/939658759.db2.gz NVJMFOVIJSVQDP-MGPUTAFESA-N 0 0 402.416 4.065 20 30 HIEDRN N#Cc1ccc(SCC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000541985808 939670198 /nfs/dbraw/zinc/67/01/98/939670198.db2.gz OSWDYKKHDLJDBF-GOSISDBHSA-N 0 0 406.429 4.269 20 30 HIEDRN CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000541993566 939672513 /nfs/dbraw/zinc/67/25/13/939672513.db2.gz HCIMUJPVNBIRKV-UHFFFAOYSA-N 0 0 414.550 4.238 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)n2)c(F)c1 ZINC000541999033 939676232 /nfs/dbraw/zinc/67/62/32/939676232.db2.gz RVQLLAIMQQVYGP-UHFFFAOYSA-N 0 0 405.216 4.207 20 30 HIEDRN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c(C#N)c1C ZINC000542017077 939687377 /nfs/dbraw/zinc/68/73/77/939687377.db2.gz PPHQWNZJOIPGJI-ACJLOTCBSA-N 0 0 421.419 4.187 20 30 HIEDRN C[C@H](NC(=O)Nc1cccnc1-n1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025119 939690604 /nfs/dbraw/zinc/69/06/04/939690604.db2.gz INUKYWCHDRYNFY-INIZCTEOSA-N 0 0 409.453 4.084 20 30 HIEDRN CC[C@@](C)(NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1nccs1 ZINC000542028664 939692061 /nfs/dbraw/zinc/69/20/61/939692061.db2.gz UALYKABYMXPQPK-GOSISDBHSA-N 0 0 400.895 4.301 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCCc3ccc4ccccc4n3)n2)c(Cl)c1 ZINC000542028947 939692094 /nfs/dbraw/zinc/69/20/94/939692094.db2.gz WRPURAYBLHXZAU-UHFFFAOYSA-N 0 0 416.872 4.310 20 30 HIEDRN COc1cccc(C[C@@H](C)NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000542029130 939692175 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KEVJOZPTKDYYBB-UHFFFAOYSA-N 0 0 411.933 4.273 20 30 HIEDRN Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)n1 ZINC000561195588 944510108 /nfs/dbraw/zinc/51/01/08/944510108.db2.gz AIRZMQXAKHBREX-QGZVFWFLSA-N 0 0 417.444 4.053 20 30 HIEDRN C=CCn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccncc1 ZINC000561205696 944512900 /nfs/dbraw/zinc/51/29/00/944512900.db2.gz HKUYZBWYIHQEOJ-UHFFFAOYSA-N 0 0 417.897 4.440 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000561210806 944516254 /nfs/dbraw/zinc/51/62/54/944516254.db2.gz WMCGSZKDOFBJCF-MSOLQXFVSA-N 0 0 409.404 4.379 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1ccc(C)cc1Br ZINC000561214203 944516747 /nfs/dbraw/zinc/51/67/47/944516747.db2.gz TVTMPVNETYYQPF-UHFFFAOYSA-N 0 0 406.320 4.380 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000561213587 944517141 /nfs/dbraw/zinc/51/71/41/944517141.db2.gz CROKIDHGSTUKMJ-UHFFFAOYSA-N 0 0 410.518 4.439 20 30 HIEDRN C[C@H](Cc1ccc(O)cc1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561225235 944519109 /nfs/dbraw/zinc/51/91/09/944519109.db2.gz DGURMIJMWDHEOV-MRXNPFEDSA-N 0 0 411.933 4.271 20 30 HIEDRN N#Cc1c(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)nc2cc(Cl)ccn21 ZINC000561234555 944522654 /nfs/dbraw/zinc/52/26/54/944522654.db2.gz BONFEAVTNKAOJD-MRXNPFEDSA-N 0 0 419.872 4.004 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 ZINC000561237374 944524491 /nfs/dbraw/zinc/52/44/91/944524491.db2.gz QDGFNPGQPISZFH-UHFFFAOYSA-N 0 0 407.518 4.185 20 30 HIEDRN Cc1cccc([C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c2ccccn2)c1 ZINC000561240465 944525487 /nfs/dbraw/zinc/52/54/87/944525487.db2.gz QCGASYZLDZWXGH-HYBUGGRVSA-N 0 0 414.484 4.133 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000561278244 944537669 /nfs/dbraw/zinc/53/76/69/944537669.db2.gz USDFNJGFALVMQU-UHFFFAOYSA-N 0 0 407.417 4.016 20 30 HIEDRN Cc1c(Br)ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1F ZINC000561305879 944544760 /nfs/dbraw/zinc/54/47/60/944544760.db2.gz XEYSUZMLRPJMPN-ZDUSSCGKSA-N 0 0 420.257 4.372 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000561313840 944547385 /nfs/dbraw/zinc/54/73/85/944547385.db2.gz YYAMETDDKMPATA-RUZDIDTESA-N 0 0 423.516 4.499 20 30 HIEDRN C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c2cccc(Cl)c2O1 ZINC000561321654 944549791 /nfs/dbraw/zinc/54/97/91/944549791.db2.gz ZSKQBJHDZLRJLT-CQSZACIVSA-N 0 0 413.880 4.381 20 30 HIEDRN COC(=O)C[C@@](C)(NC(=O)Nc1ccccc1C#Cc1ccccc1)c1ccncc1 ZINC000561353634 944560650 /nfs/dbraw/zinc/56/06/50/944560650.db2.gz IJWAEJXUQRFISX-RUZDIDTESA-N 0 0 413.477 4.081 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)c2c(F)cncc2F)cc1 ZINC000561354532 944560803 /nfs/dbraw/zinc/56/08/03/944560803.db2.gz MWOBXWQJODSPJQ-CQSZACIVSA-N 0 0 400.429 4.057 20 30 HIEDRN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000561360398 944562803 /nfs/dbraw/zinc/56/28/03/944562803.db2.gz QUUZFURYBUJAKD-UHFFFAOYSA-N 0 0 410.433 4.008 20 30 HIEDRN C=CCN(C(=O)NCc1ccc(C(C)C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000561394204 944576671 /nfs/dbraw/zinc/57/66/71/944576671.db2.gz LUKIEDUMMIGTEX-SFHVURJKSA-N 0 0 404.518 4.245 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(C4CCOCC4)cs3)cc2)nc1 ZINC000561394062 944577103 /nfs/dbraw/zinc/57/71/03/944577103.db2.gz CNYLYAHCXFMJLS-UHFFFAOYSA-N 0 0 406.467 4.348 20 30 HIEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(c2ccccc2)CC1 ZINC000561398033 944579667 /nfs/dbraw/zinc/57/96/67/944579667.db2.gz MWHPIJRUKLNHBA-UHFFFAOYSA-N 0 0 410.525 4.396 20 30 HIEDRN CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1ccccc1C#N)c1cccs1 ZINC000561506928 944643273 /nfs/dbraw/zinc/64/32/73/944643273.db2.gz URSJDIPNCDRLDW-HXUWFJFHSA-N 0 0 403.507 4.420 20 30 HIEDRN CCOc1cccc([C@@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000561518033 944649007 /nfs/dbraw/zinc/64/90/07/944649007.db2.gz MKBATZXIASIVPK-MRXNPFEDSA-N 0 0 411.477 4.410 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)Cc1cccc(Br)c1 ZINC000561518347 944649063 /nfs/dbraw/zinc/64/90/63/944649063.db2.gz BZCHOWBXPSUHDA-MOPGFXCFSA-N 0 0 419.344 4.051 20 30 HIEDRN COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)o2)c2ccccc2Cl)c(C)c1 ZINC000561519551 944650551 /nfs/dbraw/zinc/65/05/51/944650551.db2.gz SNGOOPXVQWLSHO-HXUWFJFHSA-N 0 0 416.886 4.190 20 30 HIEDRN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000561567993 944680479 /nfs/dbraw/zinc/68/04/79/944680479.db2.gz BWLYKGKLBMMTHM-UWJYYQICSA-N 0 0 417.525 4.091 20 30 HIEDRN CC[C@@H](c1ccccc1OC)N(C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000561630599 944717555 /nfs/dbraw/zinc/71/75/55/944717555.db2.gz UVDLYROGWOJBQB-NRFANRHFSA-N 0 0 407.514 4.332 20 30 HIEDRN C=CCCCCNC(=O)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000561731443 944768637 /nfs/dbraw/zinc/76/86/37/944768637.db2.gz ZGRZWLKGPRVPNL-ZDUSSCGKSA-N 0 0 405.951 4.422 20 30 HIEDRN O=c1c(Br)cc(Br)cn1CC#Cc1ccc(Cl)cc1 ZINC000561752828 944779655 /nfs/dbraw/zinc/77/96/55/944779655.db2.gz YWGMSEQYZXUIPO-UHFFFAOYSA-N 0 0 401.485 4.078 20 30 HIEDRN N#Cc1cccc(F)c1CC(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 ZINC000561775096 944792622 /nfs/dbraw/zinc/79/26/22/944792622.db2.gz KNWCSQLBZMEEKS-UHFFFAOYSA-N 0 0 405.454 4.055 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000561798740 944801395 /nfs/dbraw/zinc/80/13/95/944801395.db2.gz GJHOPTDZOPTJHH-UHFFFAOYSA-N 0 0 410.477 4.034 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000561801165 944802128 /nfs/dbraw/zinc/80/21/28/944802128.db2.gz WHZZWUKDNLIMMR-GBXCKJPGSA-N 0 0 423.944 4.223 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCc1c[nH]c2c1cccc2C ZINC000561826834 944814640 /nfs/dbraw/zinc/81/46/40/944814640.db2.gz GQURHEORJYFEKR-UHFFFAOYSA-N 0 0 415.946 4.065 20 30 HIEDRN CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000561839828 944818311 /nfs/dbraw/zinc/81/83/11/944818311.db2.gz IQDFLSSZKYPKNR-IERDGZPVSA-N 0 0 409.555 4.002 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 ZINC000561864005 944826386 /nfs/dbraw/zinc/82/63/86/944826386.db2.gz VNZMBUAVOVOVMK-HXUWFJFHSA-N 0 0 419.554 4.228 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000561863174 944826824 /nfs/dbraw/zinc/82/68/24/944826824.db2.gz FQEVDESHUFRRIB-JOCHJYFZSA-N 0 0 409.445 4.044 20 30 HIEDRN CCN1CCN(c2ccc(-c3noc(C[C@@H](CC#N)c4ccccc4)n3)cc2F)CC1 ZINC000561886239 944837450 /nfs/dbraw/zinc/83/74/50/944837450.db2.gz XJZFLAWYVBDHJF-LJQANCHMSA-N 0 0 419.504 4.258 20 30 HIEDRN N#Cc1cc(Br)ccc1CN(CCO)Cc1cccc(Br)c1 ZINC000561886782 944837658 /nfs/dbraw/zinc/83/76/58/944837658.db2.gz MLQGSANSXLARKO-UHFFFAOYSA-N 0 0 424.136 4.078 20 30 HIEDRN C=CCNC(=O)Cc1noc(-c2cccnc2Nc2ccc(Cl)c(Cl)c2)n1 ZINC000561911361 944852285 /nfs/dbraw/zinc/85/22/85/944852285.db2.gz QFUQVWQQGCGVSE-UHFFFAOYSA-N 0 0 404.257 4.027 20 30 HIEDRN N#Cc1cccc(F)c1Cc1nc(-c2csc(I)c2)no1 ZINC000561921135 944857609 /nfs/dbraw/zinc/85/76/09/944857609.db2.gz FYJATRZHKKLXNY-UHFFFAOYSA-N 0 0 411.199 4.004 20 30 HIEDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000562022575 944897909 /nfs/dbraw/zinc/89/79/09/944897909.db2.gz QKKDOHVQYKKFGA-GFCCVEGCSA-N 0 0 411.815 4.375 20 30 HIEDRN C=CCn1c(-c2cccc3ccccc32)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC000562025327 944900491 /nfs/dbraw/zinc/90/04/91/944900491.db2.gz YTNVFNCPIDIVBX-UHFFFAOYSA-N 0 0 415.463 4.359 20 30 HIEDRN C=CCn1c(COc2ccccc2OC)nnc1N1Cc2ccccc2C(C)(C)C1 ZINC000562028234 944901386 /nfs/dbraw/zinc/90/13/86/944901386.db2.gz XWBBERLYWZGJBM-UHFFFAOYSA-N 0 0 404.514 4.350 20 30 HIEDRN C=CCn1c([C@H](C)Oc2cccc(Br)c2)nnc1N1CCSC[C@H]1C ZINC000562027157 944901522 /nfs/dbraw/zinc/90/15/22/944901522.db2.gz BQUOLJGRIBEBPF-KGLIPLIRSA-N 0 0 423.380 4.308 20 30 HIEDRN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]1c1ccccc1OC ZINC000562029070 944902349 /nfs/dbraw/zinc/90/23/49/944902349.db2.gz DDGCKIMSPJAQIO-SIKLNZKXSA-N 0 0 402.498 4.490 20 30 HIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC000562032880 944903959 /nfs/dbraw/zinc/90/39/59/944903959.db2.gz NLUQFLMLYPOSBO-QFIPXVFZSA-N 0 0 415.497 4.265 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000562047615 944910608 /nfs/dbraw/zinc/91/06/08/944910608.db2.gz YBVSXOKUAGHTPJ-MHECFPHRSA-N 0 0 421.566 4.347 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)NCCCc1cn(-c2ccccc2)nc1C ZINC000562085636 944930511 /nfs/dbraw/zinc/93/05/11/944930511.db2.gz CIHFVUAWPOCYAX-UHFFFAOYSA-N 0 0 404.514 4.178 20 30 HIEDRN COc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000562105913 944942383 /nfs/dbraw/zinc/94/23/83/944942383.db2.gz UGYYCBIRSDNBMF-INIZCTEOSA-N 0 0 418.453 4.343 20 30 HIEDRN CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000562142470 944972475 /nfs/dbraw/zinc/97/24/75/944972475.db2.gz KKSUVDRIXWTGNN-UHFFFAOYSA-N 0 0 400.438 4.446 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC(F)(F)[C@H](C)C1 ZINC000562142746 944973094 /nfs/dbraw/zinc/97/30/94/944973094.db2.gz LOKHOTACCDKLQU-OAHLLOKOSA-N 0 0 413.424 4.101 20 30 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C=CCc1ccc(OCC(=O)Nc2ccc(Sc3nncs3)cc2)c(OC)c1 ZINC000047408027 849041184 /nfs/dbraw/zinc/04/11/84/849041184.db2.gz HHATXKICCGFURX-UHFFFAOYSA-N 0 0 413.524 4.444 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000047440126 849047578 /nfs/dbraw/zinc/04/75/78/849047578.db2.gz SICMBGJAMSDDHS-HNNXBMFYSA-N 0 0 402.281 4.356 20 30 HIEDRN O=C(NCC#Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000047455413 849050911 /nfs/dbraw/zinc/05/09/11/849050911.db2.gz FYJVJQSFIWYROV-SFHVURJKSA-N 0 0 415.320 4.014 20 30 HIEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000047469632 849051957 /nfs/dbraw/zinc/05/19/57/849051957.db2.gz FEWHCFGMSZVYOC-UHFFFAOYSA-N 0 0 406.273 4.085 20 30 HIEDRN CCN(Cc1ccccc1C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000047474675 849052732 /nfs/dbraw/zinc/05/27/32/849052732.db2.gz OUXSYEXYBOIZDI-UHFFFAOYSA-N 0 0 418.497 4.380 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)N3CCc4sccc4C3)s2)cc1 ZINC000047783077 849112274 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CCCCOc1cc(/C=C\C(=O)c2ccc(S(C)(=O)=O)c(OC)c2)ccc1OC ZINC000216951202 853859399 /nfs/dbraw/zinc/85/93/99/853859399.db2.gz APXBIVXEYQIOQU-YFHOEESVSA-N 0 0 418.511 4.182 20 30 HIEDRN CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1cccnc1 ZINC000217208596 853861462 /nfs/dbraw/zinc/86/14/62/853861462.db2.gz SWQFFESUEYOWBM-INIZCTEOSA-N 0 0 419.485 4.027 20 30 HIEDRN CCn1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nnc1-c1cccc(C)c1 ZINC000217621459 853862049 /nfs/dbraw/zinc/86/20/49/853862049.db2.gz GISHZASWEFXXKG-IBGZPJMESA-N 0 0 403.511 4.043 20 30 HIEDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(I)cc1 ZINC000218085522 853862327 /nfs/dbraw/zinc/86/23/27/853862327.db2.gz GBKZBAUNQQXILH-YWEYNIOJSA-N 0 0 424.150 4.004 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2ccc(Cl)cn2)c1C#N ZINC000219818636 853871890 /nfs/dbraw/zinc/87/18/90/853871890.db2.gz PPUYKLVVLPVKCC-UHFFFAOYSA-N 0 0 400.891 4.397 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000220057943 853873236 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C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2SCC)c1 ZINC000303283801 854851003 /nfs/dbraw/zinc/85/10/03/854851003.db2.gz VHCISYCLYXUEBW-UHFFFAOYSA-N 0 0 410.948 4.169 20 30 HIEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000303290376 854854679 /nfs/dbraw/zinc/85/46/79/854854679.db2.gz ARRXCZYLCBEKQO-QFIPXVFZSA-N 0 0 412.489 4.347 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000303290574 854854745 /nfs/dbraw/zinc/85/47/45/854854745.db2.gz KPVXNNTVPQWKJN-NRFANRHFSA-N 0 0 406.486 4.120 20 30 HIEDRN CCc1noc2ncc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc12 ZINC000303295672 854857411 /nfs/dbraw/zinc/85/74/11/854857411.db2.gz XVQJASREZJFLIA-JOCHJYFZSA-N 0 0 412.449 4.359 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000303294603 854857610 /nfs/dbraw/zinc/85/76/10/854857610.db2.gz BSHCSYFHDQLULZ-KGLIPLIRSA-N 0 0 415.465 4.351 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CSc1nccc(C(F)(F)F)n1 ZINC000303316089 854868437 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CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000303419563 854922189 /nfs/dbraw/zinc/92/21/89/854922189.db2.gz CKIOIOJREMPPFM-UHFFFAOYSA-N 0 0 424.888 4.274 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CN1CCC(CN2CCc3ccccc32)CC1 ZINC000303494621 854983850 /nfs/dbraw/zinc/98/38/50/854983850.db2.gz SYGGXTPPCYAOBM-UHFFFAOYSA-N 0 0 420.582 4.015 20 30 HIEDRN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CCN1Cc1ccccc1 ZINC000303501465 854989991 /nfs/dbraw/zinc/98/99/91/854989991.db2.gz ANKPKQQMKJJOIE-NJDAHSKKSA-N 0 0 413.443 4.045 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000303503616 854991912 /nfs/dbraw/zinc/99/19/12/854991912.db2.gz VLCWGQPPOKXDLL-UHFFFAOYSA-N 0 0 414.933 4.452 20 30 HIEDRN COc1cc(-c2noc(CCCCCNc3ccc([N+](=O)[O-])cc3C#N)n2)ccc1O ZINC000303502902 854992121 /nfs/dbraw/zinc/99/21/21/854992121.db2.gz RSHXVDWIMIVFLB-UHFFFAOYSA-N 0 0 423.429 4.056 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000303505934 854994320 /nfs/dbraw/zinc/99/43/20/854994320.db2.gz BHMDERFJLPWTCP-IBGZPJMESA-N 0 0 401.514 4.307 20 30 HIEDRN C#CCCCCC(=O)Nc1cc(Br)ccc1I ZINC000303520552 855007223 /nfs/dbraw/zinc/00/72/23/855007223.db2.gz NSCKYXXWNALXRP-UHFFFAOYSA-N 0 0 406.061 4.186 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000303527980 855014624 /nfs/dbraw/zinc/01/46/24/855014624.db2.gz RBYOYHNYRSFIJC-INIZCTEOSA-N 0 0 406.511 4.053 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCCCCNc2ccccn2)c1 ZINC000303542596 855028842 /nfs/dbraw/zinc/02/88/42/855028842.db2.gz IDEOMAUIYBRBQT-UHFFFAOYSA-N 0 0 400.482 4.154 20 30 HIEDRN COc1cc(-c2ccccc2)sc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000303562408 855041518 /nfs/dbraw/zinc/04/15/18/855041518.db2.gz NQOGEHAJOXHQAQ-FQEVSTJZSA-N 0 0 417.534 4.274 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303646266 855101330 /nfs/dbraw/zinc/10/13/30/855101330.db2.gz COVPEHMAAAZQQB-GFCCVEGCSA-N 0 0 414.415 4.468 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000303647937 855103332 /nfs/dbraw/zinc/10/33/32/855103332.db2.gz SOJVWLVZBWGEDX-UHFFFAOYSA-N 0 0 411.505 4.095 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](CO)c1ccccc1 ZINC000303669723 855121109 /nfs/dbraw/zinc/12/11/09/855121109.db2.gz OVQLSCQVOYZGNX-HSZRJFAPSA-N 0 0 401.466 4.301 20 30 HIEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000303675975 855125317 /nfs/dbraw/zinc/12/53/17/855125317.db2.gz QKPPNGWHBVHRCG-ZJTDPSCFSA-N 0 0 422.356 4.434 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000303695183 855138152 /nfs/dbraw/zinc/13/81/52/855138152.db2.gz NJQDCVSDNFCRGB-GDLZYMKVSA-N 0 0 414.575 4.032 20 30 HIEDRN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303723041 855151308 /nfs/dbraw/zinc/15/13/08/855151308.db2.gz WSOJJPWPDHGGOJ-VIFPVBQESA-N 0 0 420.300 4.432 20 30 HIEDRN Cc1cccc(-c2ccc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)c1 ZINC000303726607 855154240 /nfs/dbraw/zinc/15/42/40/855154240.db2.gz TVUQIKXTCIVKPF-UHFFFAOYSA-N 0 0 407.477 4.232 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303733157 855158272 /nfs/dbraw/zinc/15/82/72/855158272.db2.gz ZZPFZBUFMHAZTR-SECBINFHSA-N 0 0 413.749 4.355 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000303750003 855171642 /nfs/dbraw/zinc/17/16/42/855171642.db2.gz BNGJDKMALCFREX-UHFFFAOYSA-N 0 0 419.437 4.391 20 30 HIEDRN COc1ccccc1Oc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000303787483 855198565 /nfs/dbraw/zinc/19/85/65/855198565.db2.gz DSWKRBFDDQAPNW-UHFFFAOYSA-N 0 0 408.479 4.146 20 30 HIEDRN CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)o1 ZINC000303811882 855215032 /nfs/dbraw/zinc/21/50/32/855215032.db2.gz LGVJGPVHNAMESO-HXUWFJFHSA-N 0 0 403.486 4.239 20 30 HIEDRN C[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 ZINC000303824561 855225621 /nfs/dbraw/zinc/22/56/21/855225621.db2.gz FNWHUBSBXVMMMC-QGPLXKMCSA-N 0 0 405.564 4.044 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000303896583 855275483 /nfs/dbraw/zinc/27/54/83/855275483.db2.gz QCNHIIVLZNHREU-DLBZAZTESA-N 0 0 404.388 4.243 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)s2)cc1 ZINC000303903308 855277965 /nfs/dbraw/zinc/27/79/65/855277965.db2.gz LRAIBWLFIQNKLL-MOPGFXCFSA-N 0 0 417.490 4.119 20 30 HIEDRN CC1(C)[C@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)[C@H]2CCO[C@H]21 ZINC000303926129 855295103 /nfs/dbraw/zinc/29/51/03/855295103.db2.gz UWBSWBUYMQDDDE-YPAWHYETSA-N 0 0 405.498 4.267 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc2)c(C)c1Br ZINC000303930455 855299351 /nfs/dbraw/zinc/29/93/51/855299351.db2.gz ZXJREDSXKVBILM-UHFFFAOYSA-N 0 0 420.270 4.247 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ncc(C(C)C)s1 ZINC000303944538 855308428 /nfs/dbraw/zinc/30/84/28/855308428.db2.gz GKYHTPQVMXJMRS-UHFFFAOYSA-N 0 0 424.320 4.317 20 30 HIEDRN C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000303953448 855316602 /nfs/dbraw/zinc/31/66/02/855316602.db2.gz UIUQTYDVJWOQLZ-UHFFFAOYSA-N 0 0 420.469 4.409 20 30 HIEDRN C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Oc1cccc(F)c1 ZINC000303977433 855332538 /nfs/dbraw/zinc/33/25/38/855332538.db2.gz WBBVGZHCGPLRAW-KRWDZBQOSA-N 0 0 404.441 4.474 20 30 HIEDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc2[N+](=O)[O-])C1 ZINC000303995330 855338534 /nfs/dbraw/zinc/33/85/34/855338534.db2.gz JKKCZKQGTWQEOV-HUUCEWRRSA-N 0 0 403.442 4.073 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc(I)cc2)cc1C(F)(F)F ZINC000316670631 855380212 /nfs/dbraw/zinc/38/02/12/855380212.db2.gz YAOGTPMSIONNEO-UHFFFAOYSA-N 0 0 416.140 4.434 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC000326886614 855413347 /nfs/dbraw/zinc/41/33/47/855413347.db2.gz FKIHVSQATMTMMM-UHFFFAOYSA-N 0 0 404.220 4.292 20 30 HIEDRN Cc1c(Br)cccc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000327433822 855417164 /nfs/dbraw/zinc/41/71/64/855417164.db2.gz LJFHLVPXMPRXIS-UHFFFAOYSA-N 0 0 401.260 4.089 20 30 HIEDRN N#CCCN(C(=O)c1cc(Cl)cc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000327729651 855419490 /nfs/dbraw/zinc/41/94/90/855419490.db2.gz CQLAGYVGWBPZPY-UHFFFAOYSA-N 0 0 421.678 4.434 20 30 HIEDRN N#Cc1cc(F)c(C(=O)Nc2cc(I)ccc2Cl)c(F)c1 ZINC000386730118 855444288 /nfs/dbraw/zinc/44/42/88/855444288.db2.gz UYBPPVPWBBLDNI-UHFFFAOYSA-N 0 0 418.568 4.347 20 30 HIEDRN COC[C@@H](NC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccc(F)cc1 ZINC000437376476 862681726 /nfs/dbraw/zinc/68/17/26/862681726.db2.gz WQNUDMLKEYBRIW-HSZRJFAPSA-N 0 0 404.441 4.394 20 30 HIEDRN Cc1cc(F)cc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000437375583 862682148 /nfs/dbraw/zinc/68/21/48/862682148.db2.gz KAMXSXGHEFBUTI-UHFFFAOYSA-N 0 0 419.431 4.312 20 30 HIEDRN C[C@@H](C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1)n1cnc(C#N)n1 ZINC000409459667 855489423 /nfs/dbraw/zinc/48/94/23/855489423.db2.gz VKOZZDBAEXQIDC-HNNXBMFYSA-N 0 0 414.494 4.064 20 30 HIEDRN COc1ccc(F)cc1-c1csc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 ZINC000409460800 855490287 /nfs/dbraw/zinc/49/02/87/855490287.db2.gz IXVRIODRIPUBAS-UHFFFAOYSA-N 0 0 419.441 4.267 20 30 HIEDRN COc1cc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1OC1CCCC1 ZINC000409465341 855492715 /nfs/dbraw/zinc/49/27/15/855492715.db2.gz SYSWLYVYBOIBFM-UHFFFAOYSA-N 0 0 416.481 4.004 20 30 HIEDRN C=CCc1ccc(OCC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)c(OC)c1 ZINC000409466904 855494703 /nfs/dbraw/zinc/49/47/03/855494703.db2.gz XCAKQYWCFMCMGE-UHFFFAOYSA-N 0 0 422.456 4.445 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C2(c3cncc(Br)c3)CC2)c1 ZINC000409477867 855501531 /nfs/dbraw/zinc/50/15/31/855501531.db2.gz YLQUVUYVEZWUAO-UHFFFAOYSA-N 0 0 400.276 4.197 20 30 HIEDRN CN(C(=O)c1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1)c1ccccc1 ZINC000409479360 855502298 /nfs/dbraw/zinc/50/22/98/855502298.db2.gz WJMPWJLRZWDNBP-UHFFFAOYSA-N 0 0 421.460 4.273 20 30 HIEDRN C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000409503926 855512245 /nfs/dbraw/zinc/51/22/45/855512245.db2.gz SOSKKTZNVCUVGL-UWWQBHOKSA-N 0 0 417.497 4.048 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC[C@@H](c3c(F)cccc3F)C2)ccc1C(F)(F)F ZINC000409505521 855513507 /nfs/dbraw/zinc/51/35/07/855513507.db2.gz YCFTUKJYMRHBIT-LLVKDONJSA-N 0 0 416.371 4.033 20 30 HIEDRN N#Cc1cc(N[C@H](Cn2ccccc2=O)c2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC000409531418 855526659 /nfs/dbraw/zinc/52/66/59/855526659.db2.gz WQOOZIVZDUYNMO-OAQYLSRUSA-N 0 0 411.421 4.030 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)ccc1C(F)(F)F ZINC000409550296 855537493 /nfs/dbraw/zinc/53/74/93/855537493.db2.gz ADRZRFSDSLWGAG-UHFFFAOYSA-N 0 0 410.373 4.154 20 30 HIEDRN C[C@@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409566291 855544193 /nfs/dbraw/zinc/54/41/93/855544193.db2.gz WLTLLEMCGAGTGF-JTQLQIEISA-N 0 0 404.360 4.237 20 30 HIEDRN Cc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)N(C)C[C@H](C)C#N)s1 ZINC000409593147 855556617 /nfs/dbraw/zinc/55/66/17/855556617.db2.gz GUNPTDVJSJDQLZ-MRXNPFEDSA-N 0 0 405.589 4.270 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409597457 855558089 /nfs/dbraw/zinc/55/80/89/855558089.db2.gz MRVBMSFKWGARRP-JTQLQIEISA-N 0 0 404.360 4.237 20 30 HIEDRN Cc1cccc2oc(CCNC(=O)c3occc3COc3cccc(C#N)c3)nc21 ZINC000409630423 855572418 /nfs/dbraw/zinc/57/24/18/855572418.db2.gz LDMDTXNDFFQDDY-UHFFFAOYSA-N 0 0 401.422 4.152 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2ccc(OCC3CC3)nc2)ccc1OCC(F)(F)F ZINC000409633246 855574458 /nfs/dbraw/zinc/57/44/58/855574458.db2.gz SUTKSNLEZGMTHK-UHFFFAOYSA-N 0 0 420.391 4.005 20 30 HIEDRN Cn1c2ccc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2nc1C(F)F ZINC000409660758 855589652 /nfs/dbraw/zinc/58/96/52/855589652.db2.gz UCDSVVIVBPSUBM-UHFFFAOYSA-N 0 0 410.424 4.066 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409678828 855598220 /nfs/dbraw/zinc/59/82/20/855598220.db2.gz IJLAXGPSYSJVFL-QGZVFWFLSA-N 0 0 417.303 4.337 20 30 HIEDRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000409693779 855604910 /nfs/dbraw/zinc/60/49/10/855604910.db2.gz HPQNZHZOAKBELJ-GDLZYMKVSA-N 0 0 406.511 4.043 20 30 HIEDRN C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000409697852 855607584 /nfs/dbraw/zinc/60/75/84/855607584.db2.gz PKBAATSOFQBKSS-JXFKEZNVSA-N 0 0 401.432 4.045 20 30 HIEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000409733226 855625956 /nfs/dbraw/zinc/62/59/56/855625956.db2.gz PQHRMUJEVICCAY-VWLOTQADSA-N 0 0 411.461 4.104 20 30 HIEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc(C#N)ccc1C ZINC000409776536 855648676 /nfs/dbraw/zinc/64/86/76/855648676.db2.gz WXCVZIZVXAHMOQ-HNNXBMFYSA-N 0 0 402.541 4.170 20 30 HIEDRN C=CCN(C(=O)c1cc(Br)ccc1F)c1nc(C(=O)OCC)cs1 ZINC000409816536 855670000 /nfs/dbraw/zinc/67/00/00/855670000.db2.gz NGTUUWJWXSSHPG-UHFFFAOYSA-N 0 0 413.268 4.054 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)cc1 ZINC000409819956 855671857 /nfs/dbraw/zinc/67/18/57/855671857.db2.gz NLSFVBOLSVHWAX-MFMILTCTSA-N 0 0 420.509 4.067 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@H](Oc4ccccc4Cl)C3)n2)c1 ZINC000409852946 855688857 /nfs/dbraw/zinc/68/88/57/855688857.db2.gz LTOOENRTMMAHDL-SFHVURJKSA-N 0 0 406.873 4.081 20 30 HIEDRN C[C@H](c1ccccc1Br)N(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409860558 855692622 /nfs/dbraw/zinc/69/26/22/855692622.db2.gz UQELSWJTTQTGIC-CQSZACIVSA-N 0 0 409.287 4.340 20 30 HIEDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000409899908 855713991 /nfs/dbraw/zinc/71/39/91/855713991.db2.gz KCOXZUIPQNWFBC-OAHLLOKOSA-N 0 0 402.325 4.392 20 30 HIEDRN CCCN([C@@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000409902550 855715170 /nfs/dbraw/zinc/71/51/70/855715170.db2.gz GYIJVILNTRGLDI-HNNXBMFYSA-N 0 0 419.934 4.030 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1OCc1cccs1 ZINC000409917020 855722443 /nfs/dbraw/zinc/72/24/43/855722443.db2.gz ADWPGNXLIWVZBE-UHFFFAOYSA-N 0 0 406.507 4.488 20 30 HIEDRN C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccc(C(F)(F)F)cc1 ZINC000409917785 855723513 /nfs/dbraw/zinc/72/35/13/855723513.db2.gz GAZQTXQOIALGDN-LBPRGKRZSA-N 0 0 402.351 4.644 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000409926132 855728086 /nfs/dbraw/zinc/72/80/86/855728086.db2.gz ZZJRZVOXDQZFLU-UHFFFAOYSA-N 0 0 424.285 4.481 20 30 HIEDRN CCc1c(Br)cc(C(=O)Nc2cc(C#N)ccn2)cc1Br ZINC000409936942 855733542 /nfs/dbraw/zinc/73/35/42/855733542.db2.gz LEOMBVRHEDRUQR-UHFFFAOYSA-N 0 0 409.081 4.293 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000409976632 855756883 /nfs/dbraw/zinc/75/68/83/855756883.db2.gz CLNFYXWIXKQRBZ-NRFANRHFSA-N 0 0 401.514 4.079 20 30 HIEDRN Cc1cc(Br)ccc1CN(C)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409987404 855763871 /nfs/dbraw/zinc/76/38/71/855763871.db2.gz SXHXLGQLHAFUQY-UHFFFAOYSA-N 0 0 409.287 4.087 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[C@@H](C)c1cccc(O)c1 ZINC000437392333 862718608 /nfs/dbraw/zinc/71/86/08/862718608.db2.gz DDPRESSGHVLAKA-CVEARBPZSA-N 0 0 411.527 4.335 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)c1cccc(O)c1 ZINC000437392342 862719751 /nfs/dbraw/zinc/71/97/51/862719751.db2.gz DDPRESSGHVLAKA-JKSUJKDBSA-N 0 0 411.527 4.335 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1Cl ZINC000410018375 855782590 /nfs/dbraw/zinc/78/25/90/855782590.db2.gz WOJQCAIGIQEGFM-UHFFFAOYSA-N 0 0 417.900 4.491 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CC3)n2)c1 ZINC000410077988 855810708 /nfs/dbraw/zinc/81/07/08/855810708.db2.gz WQLSFRPCIDWVLZ-UHFFFAOYSA-N 0 0 410.399 4.224 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000410109855 855824355 /nfs/dbraw/zinc/82/43/55/855824355.db2.gz RBLPWVOADVOTKY-UHFFFAOYSA-N 0 0 413.481 4.457 20 30 HIEDRN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c(OC(F)F)c1 ZINC000437392835 862724583 /nfs/dbraw/zinc/72/45/83/862724583.db2.gz DHTCGPROFDBPCH-UHFFFAOYSA-N 0 0 420.847 4.059 20 30 HIEDRN C=CC[C@H](CC)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000410127221 855831346 /nfs/dbraw/zinc/83/13/46/855831346.db2.gz KNBLUECBXPSIIL-RDJZCZTQSA-N 0 0 407.352 4.081 20 30 HIEDRN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CCC2 ZINC000410145668 855837751 /nfs/dbraw/zinc/83/77/51/855837751.db2.gz NONAAYSNVOMIOE-OAHLLOKOSA-N 0 0 415.462 4.040 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000410161160 855845113 /nfs/dbraw/zinc/84/51/13/855845113.db2.gz XNKOACWBFACDCT-SFHVURJKSA-N 0 0 416.547 4.082 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)C1=O ZINC000410177907 855852058 /nfs/dbraw/zinc/85/20/58/855852058.db2.gz JNKNSRMGORVXIQ-UYAOXDASSA-N 0 0 416.493 4.044 20 30 HIEDRN N#CC1(C(=O)Nc2ccc3c(c2)[C@@H](NC(=O)C2(C#N)CCCC2)CCC3)CCCC1 ZINC000410223697 855868176 /nfs/dbraw/zinc/86/81/76/855868176.db2.gz GROJHISLSLGXHY-FQEVSTJZSA-N 0 0 404.514 4.287 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCOc4c(Br)cccc43)on2)c1 ZINC000410279177 855898581 /nfs/dbraw/zinc/89/85/81/855898581.db2.gz LNGKCHDHEODXMZ-MRXNPFEDSA-N 0 0 424.254 4.229 20 30 HIEDRN C=CCCc1ccccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000410349724 855942772 /nfs/dbraw/zinc/94/27/72/855942772.db2.gz BYWYANRUWRVDEO-UHFFFAOYSA-N 0 0 418.584 4.223 20 30 HIEDRN C=CCCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000410360166 855949558 /nfs/dbraw/zinc/94/95/58/855949558.db2.gz QDIBXYZATGIQBQ-UHFFFAOYSA-N 0 0 414.571 4.407 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000410374276 855958784 /nfs/dbraw/zinc/95/87/84/855958784.db2.gz MUOFAZRZSHJBME-FQEVSTJZSA-N 0 0 412.555 4.153 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000410392661 855969779 /nfs/dbraw/zinc/96/97/79/855969779.db2.gz PLPAQDWLQPNRFS-LBPRGKRZSA-N 0 0 410.886 4.151 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000425918380 855998764 /nfs/dbraw/zinc/99/87/64/855998764.db2.gz DVSBJFJTSVMKPA-CGTJXYLNSA-N 0 0 401.894 4.077 20 30 HIEDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425950530 856014414 /nfs/dbraw/zinc/01/44/14/856014414.db2.gz KLMDFSKFNGWHJH-DYESRHJHSA-N 0 0 421.497 4.001 20 30 HIEDRN CN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425984128 856030388 /nfs/dbraw/zinc/03/03/88/856030388.db2.gz YMNRWHFFYASTKW-UHFFFAOYSA-N 0 0 403.413 4.087 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000426034595 856060895 /nfs/dbraw/zinc/06/08/95/856060895.db2.gz ILYWGRSSYVIJRA-FPOVZHCZSA-N 0 0 416.518 4.069 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000426070103 856086254 /nfs/dbraw/zinc/08/62/54/856086254.db2.gz NDMOOUDMXNKDFH-SWLSCSKDSA-N 0 0 405.296 4.310 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437404170 862756266 /nfs/dbraw/zinc/75/62/66/862756266.db2.gz JQEBHYGCJOEBIP-FUHIMQAGSA-N 0 0 400.425 4.235 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCOC4(CCC4)C3)cc2F)c1 ZINC000426084522 856096016 /nfs/dbraw/zinc/09/60/16/856096016.db2.gz IMTDPDHZDOEYFL-LJQANCHMSA-N 0 0 409.461 4.500 20 30 HIEDRN C/C(=C/c1ccccc1)CN(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000426124849 856123606 /nfs/dbraw/zinc/12/36/06/856123606.db2.gz WKJYGCOLYFSUKZ-JXAWBTAJSA-N 0 0 404.514 4.388 20 30 HIEDRN COCCOc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)cc2Cl)cc1OC ZINC000426134985 856129836 /nfs/dbraw/zinc/12/98/36/856129836.db2.gz YKSCGDHEZQUERC-ZDUSSCGKSA-N 0 0 403.866 4.128 20 30 HIEDRN CC(C)(C)c1nc(CN2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cs1 ZINC000426148003 856139900 /nfs/dbraw/zinc/13/99/00/856139900.db2.gz GGRKPURHKBGIQH-UHFFFAOYSA-N 0 0 417.966 4.315 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000426149048 856139984 /nfs/dbraw/zinc/13/99/84/856139984.db2.gz OMRMHAKACYHWHD-LLVKDONJSA-N 0 0 414.676 4.080 20 30 HIEDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426157547 856144750 /nfs/dbraw/zinc/14/47/50/856144750.db2.gz VFHMKKPBSVBTNW-UHFFFAOYSA-N 0 0 407.257 4.024 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c(Cl)c1 ZINC000426161571 856146094 /nfs/dbraw/zinc/14/60/94/856146094.db2.gz OAUHBKMDOUHLBR-INIZCTEOSA-N 0 0 422.872 4.384 20 30 HIEDRN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1ncc(C#N)cc1Cl ZINC000426177318 856156520 /nfs/dbraw/zinc/15/65/20/856156520.db2.gz DZAXGJOJVWOSSV-STQMWFEESA-N 0 0 422.838 4.365 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 ZINC000437407499 862763914 /nfs/dbraw/zinc/76/39/14/862763914.db2.gz GFJABRDJKXARIP-GFCCVEGCSA-N 0 0 405.882 4.187 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1)c1ccc(F)c(F)c1 ZINC000426224998 856187637 /nfs/dbraw/zinc/18/76/37/856187637.db2.gz CXRVUGNIGHZXLA-SCLBCKFNSA-N 0 0 412.444 4.131 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000426276912 856215624 /nfs/dbraw/zinc/21/56/24/856215624.db2.gz JKYREJWRPPQUIV-YOEHRIQHSA-N 0 0 420.271 4.369 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000426277796 856216786 /nfs/dbraw/zinc/21/67/86/856216786.db2.gz LBRDULPQPQSUOF-RBUKOAKNSA-N 0 0 422.554 4.428 20 30 HIEDRN COCc1nc(CSCC(=O)Nc2ccccc2SC[C@H](C)C#N)cs1 ZINC000437410980 862773365 /nfs/dbraw/zinc/77/33/65/862773365.db2.gz IYETXCUJWFZRHJ-CYBMUJFWSA-N 0 0 407.586 4.413 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000426361515 856258966 /nfs/dbraw/zinc/25/89/66/856258966.db2.gz MOMCQNWNONDPKZ-CPPXOMHGSA-N 0 0 401.510 4.133 20 30 HIEDRN O=C(c1ccccc1F)N1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426366489 856260036 /nfs/dbraw/zinc/26/00/36/856260036.db2.gz RCTSQGSWZJRBAQ-UHFFFAOYSA-N 0 0 404.407 4.044 20 30 HIEDRN CCN(C(=O)CNc1cccc(C#N)c1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000426438981 856291317 /nfs/dbraw/zinc/29/13/17/856291317.db2.gz FTNNCAZJBLZZJS-DEOSSOPVSA-N 0 0 402.473 4.451 20 30 HIEDRN N#CCCNC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC000426450228 856296973 /nfs/dbraw/zinc/29/69/73/856296973.db2.gz XERZPXRYQQIHLG-QGZVFWFLSA-N 0 0 423.369 4.367 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(CC(=O)NCc2ccc(C)cc2)no1 ZINC000426452075 856297243 /nfs/dbraw/zinc/29/72/43/856297243.db2.gz WLGXXTOMZMNPMF-UHFFFAOYSA-N 0 0 402.479 4.299 20 30 HIEDRN CO[C@H](C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 ZINC000426461067 856302003 /nfs/dbraw/zinc/30/20/03/856302003.db2.gz QNCCFCXQUGONDU-PKTZIBPZSA-N 0 0 402.450 4.040 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3ccon3)sc2C1 ZINC000426472116 856310410 /nfs/dbraw/zinc/31/04/10/856310410.db2.gz YIDBBJHIOGWCRY-AWEZNQCLSA-N 0 0 400.548 4.219 20 30 HIEDRN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cs1 ZINC000426504500 856322597 /nfs/dbraw/zinc/32/25/97/856322597.db2.gz NMWSWUNGZBJQSZ-CQSZACIVSA-N 0 0 420.494 4.185 20 30 HIEDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426543865 856341524 /nfs/dbraw/zinc/34/15/24/856341524.db2.gz YVWMFKCRSHRRBV-INIZCTEOSA-N 0 0 415.449 4.214 20 30 HIEDRN Cc1cn2c(nc(C)c2-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)s1 ZINC000426588195 856361893 /nfs/dbraw/zinc/36/18/93/856361893.db2.gz OMSQTXCNRDHHLB-CQSZACIVSA-N 0 0 408.462 4.067 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c(Cl)c1 ZINC000437418792 862787976 /nfs/dbraw/zinc/78/79/76/862787976.db2.gz NRZQILOZEHNIPU-UHFFFAOYSA-N 0 0 417.843 4.400 20 30 HIEDRN COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1 ZINC000426666056 856401681 /nfs/dbraw/zinc/40/16/81/856401681.db2.gz NLHFXBARTNEZEJ-INIZCTEOSA-N 0 0 415.449 4.175 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCc3cc(F)ccc32)ccc1Oc1ccccc1 ZINC000426684036 856412160 /nfs/dbraw/zinc/41/21/60/856412160.db2.gz WTANALRLIGPFHT-NRFANRHFSA-N 0 0 415.424 4.232 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H](CC2CCCC2)C(=O)[O-])cc1OC ZINC000426723668 856435593 /nfs/dbraw/zinc/43/55/93/856435593.db2.gz ZSYZFWVBJVKMPK-INIZCTEOSA-N 0 0 412.324 4.146 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000437427267 862801956 /nfs/dbraw/zinc/80/19/56/862801956.db2.gz DMXTXBIAYHIILX-UHFFFAOYSA-N 0 0 423.488 4.048 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC3(C2)CCCC3)cc1Cl ZINC000426852514 856512770 /nfs/dbraw/zinc/51/27/70/856512770.db2.gz ASYOQUIDTMCOER-LJQANCHMSA-N 0 0 407.901 4.337 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000427005874 856591113 /nfs/dbraw/zinc/59/11/13/856591113.db2.gz AONLYNIOZBGESY-UHFFFAOYSA-N 0 0 405.429 4.166 20 30 HIEDRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427038947 856607119 /nfs/dbraw/zinc/60/71/19/856607119.db2.gz SFEFTTJXYJFODP-UHFFFAOYSA-N 0 0 424.464 4.133 20 30 HIEDRN Cc1ccc(F)c(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1Br ZINC000427045249 856609010 /nfs/dbraw/zinc/60/90/10/856609010.db2.gz PUDFYPMRRUCXEJ-UHFFFAOYSA-N 0 0 413.250 4.088 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000427053007 856611911 /nfs/dbraw/zinc/61/19/11/856611911.db2.gz IBNXNVNALOPNCS-LLVKDONJSA-N 0 0 406.269 4.080 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000427076012 856622341 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000437479890 862839434 /nfs/dbraw/zinc/83/94/34/862839434.db2.gz UXYWTSROPIGSCQ-DNVCBOLYSA-N 0 0 409.511 4.226 20 30 HIEDRN CCc1c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cnn1CCC(C)C ZINC000427369226 856798524 /nfs/dbraw/zinc/79/85/24/856798524.db2.gz DNTRDSPOFXJPKM-KRWDZBQOSA-N 0 0 403.324 4.249 20 30 HIEDRN CC(C)(C)[C@@H](C#N)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 ZINC000427374682 856800321 /nfs/dbraw/zinc/80/03/21/856800321.db2.gz JIWMBVKGKPONOM-OAQYLSRUSA-N 0 0 413.481 4.408 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000437480764 862840048 /nfs/dbraw/zinc/84/00/48/862840048.db2.gz GTFQPJDZBYOVSF-XIKOKIGWSA-N 0 0 408.285 4.287 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c[nH]cc2-c2ccccc2F)n1 ZINC000427458060 856829105 /nfs/dbraw/zinc/82/91/05/856829105.db2.gz MLYONBQGXQNEOH-UHFFFAOYSA-N 0 0 405.820 4.784 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437483134 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C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000429521470 857714752 /nfs/dbraw/zinc/71/47/52/857714752.db2.gz QXMNLEAKUXNXLR-CQSZACIVSA-N 0 0 424.302 4.448 20 30 HIEDRN CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](C)Cc1ccsc1 ZINC000429537503 857730810 /nfs/dbraw/zinc/73/08/10/857730810.db2.gz HKQNVABLCPWNKU-AWEZNQCLSA-N 0 0 413.934 4.944 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cc1C(F)(F)F ZINC000429551715 857744788 /nfs/dbraw/zinc/74/47/88/857744788.db2.gz VTGAWBMOHZQIGS-UHFFFAOYSA-N 0 0 408.767 4.012 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)nc21 ZINC000429577743 857763513 /nfs/dbraw/zinc/76/35/13/857763513.db2.gz GLSOIMAVUYLDQK-GOSISDBHSA-N 0 0 409.449 4.317 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000429578888 857764370 /nfs/dbraw/zinc/76/43/70/857764370.db2.gz OXLKGESMTRTFET-CQSZACIVSA-N 0 0 424.302 4.448 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)nc21 ZINC000429582191 857767366 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HIEDRN CC(C)N1C(=O)N(Cc2ccc(C#N)cc2)C(=O)[C@@H]1c1ccc(Br)cc1 ZINC000430725108 858279989 /nfs/dbraw/zinc/27/99/89/858279989.db2.gz PVOHCHHCPWTLGI-SFHVURJKSA-N 0 0 412.287 4.235 20 30 HIEDRN N#CCSc1cccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000430732515 858281015 /nfs/dbraw/zinc/28/10/15/858281015.db2.gz BJRXIABRPGZWLB-UHFFFAOYSA-N 0 0 408.552 4.311 20 30 HIEDRN C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000430812387 858313159 /nfs/dbraw/zinc/31/31/59/858313159.db2.gz VTIITGIHUKNKDV-LJQANCHMSA-N 0 0 409.489 4.317 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000430916025 858368931 /nfs/dbraw/zinc/36/89/31/858368931.db2.gz GFVLAUNMOPARLU-UWJYYQICSA-N 0 0 413.468 4.277 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCSc2ccc(Cl)cc21 ZINC000430947101 858378627 /nfs/dbraw/zinc/37/86/27/858378627.db2.gz DALNTVCSTHJZEG-UHFFFAOYSA-N 0 0 423.929 4.338 20 30 HIEDRN O=C(NCc1c(F)cc(F)c(F)c1F)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000430954048 858381469 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Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2cc(C#N)cs2)c1C ZINC000437701297 863036037 /nfs/dbraw/zinc/03/60/37/863036037.db2.gz FLQPLJCLQXBXDK-UHFFFAOYSA-N 0 0 401.289 4.437 20 30 HIEDRN C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)[C@H]1OCCc2sccc21 ZINC000431321161 858563564 /nfs/dbraw/zinc/56/35/64/858563564.db2.gz BEPJDGOXJQWYOP-SCLBCKFNSA-N 0 0 408.445 4.461 20 30 HIEDRN Cc1cc(C)cc([C@H]2NC(=O)N(C3CCC(Oc4ccccc4C#N)CC3)C2=O)c1 ZINC000431330167 858568785 /nfs/dbraw/zinc/56/87/85/858568785.db2.gz ALQWVCHZSUSKRK-QETWGEEDSA-N 0 0 403.482 4.158 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000431347882 858574432 /nfs/dbraw/zinc/57/44/32/858574432.db2.gz CXXGHCNBTROCCB-QGZVFWFLSA-N 0 0 418.522 4.276 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000437706551 863039521 /nfs/dbraw/zinc/03/95/21/863039521.db2.gz HMOXNEPIOFMUOE-SUMDDJOVSA-N 0 0 415.559 4.469 20 30 HIEDRN CC[C@H](c1ccccc1)N1CC(=O)N([C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O ZINC000431380465 858586664 /nfs/dbraw/zinc/58/66/64/858586664.db2.gz WXJMCQLLCXYNID-PZJWPPBQSA-N 0 0 420.488 4.082 20 30 HIEDRN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCc2c(nnn2-c2ccccc2)C1 ZINC000431427438 858610154 /nfs/dbraw/zinc/61/01/54/858610154.db2.gz NWZDJTIOIYDJOV-UHFFFAOYSA-N 0 0 404.836 4.042 20 30 HIEDRN C[C@H](CC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(Br)cc1 ZINC000431469674 858632215 /nfs/dbraw/zinc/63/22/15/858632215.db2.gz IYNFQIYHBWHBMH-MRXNPFEDSA-N 0 0 412.331 4.163 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431471341 858632367 /nfs/dbraw/zinc/63/23/67/858632367.db2.gz LCXRGXWUGOMVSD-ROUUACIJSA-N 0 0 414.259 4.269 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(-n3ccnc3C)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431520390 858654572 /nfs/dbraw/zinc/65/45/72/858654572.db2.gz OSULUIGAPXVJQZ-FDDCHVKYSA-N 0 0 414.509 4.303 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2ccn(C3CCCC3)n2)ccc1OCC(F)(F)F ZINC000431561617 858671240 /nfs/dbraw/zinc/67/12/40/858671240.db2.gz SCBOEQGEWWLAQX-UHFFFAOYSA-N 0 0 407.396 4.133 20 30 HIEDRN Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431633635 858702907 /nfs/dbraw/zinc/70/29/07/858702907.db2.gz DEOFNUHDVWEGHM-KRWDZBQOSA-N 0 0 407.333 4.471 20 30 HIEDRN Cc1cc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)ccc1Br ZINC000431646432 858709673 /nfs/dbraw/zinc/70/96/73/858709673.db2.gz WRTQSSUHDRYPGD-GOSISDBHSA-N 0 0 407.333 4.471 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000437725267 863055990 /nfs/dbraw/zinc/05/59/90/863055990.db2.gz XZHZGVQBBOJRRY-VBQJREDUSA-N 0 0 413.381 4.210 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000431715112 858756981 /nfs/dbraw/zinc/75/69/81/858756981.db2.gz YGJOBYKHYCVNRD-SFHVURJKSA-N 0 0 400.276 4.235 20 30 HIEDRN COc1cccc([C@H](CNC(=O)c2ccc(C#N)o2)c2c[nH]c3ccccc32)c1OC ZINC000431718326 858759856 /nfs/dbraw/zinc/75/98/56/858759856.db2.gz CUTKBMFBUJWOLQ-IBGZPJMESA-N 0 0 415.449 4.212 20 30 HIEDRN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)[C@@H]1OCCc2sccc21 ZINC000431791103 858813410 /nfs/dbraw/zinc/81/34/10/858813410.db2.gz LBJFSWWMNLDIHR-KCTSRDHCSA-N 0 0 405.317 4.142 20 30 HIEDRN N#Cc1cc(N2CC[C@@H](OCCCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000431820954 858827755 /nfs/dbraw/zinc/82/77/55/858827755.db2.gz DEKQQWYPEGLRGT-HXUWFJFHSA-N 0 0 402.454 4.243 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000431866668 858846795 /nfs/dbraw/zinc/84/67/95/858846795.db2.gz HKZOYEUNRHACDA-CALCHBBNSA-N 0 0 405.498 4.287 20 30 HIEDRN C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873427 858849779 /nfs/dbraw/zinc/84/97/79/858849779.db2.gz UCCCQNLGQUZDDB-HYBUGGRVSA-N 0 0 420.557 4.142 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)Cc3cnccc3C)c2)c1 ZINC000431898803 858860954 /nfs/dbraw/zinc/86/09/54/858860954.db2.gz ALMBBAWVRASJFM-UHFFFAOYSA-N 0 0 413.477 4.240 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000431921948 858871230 /nfs/dbraw/zinc/87/12/30/858871230.db2.gz IEAMQVRKDVUIAH-QFIPXVFZSA-N 0 0 409.486 4.201 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)C2)c(F)c1 ZINC000431923542 858872044 /nfs/dbraw/zinc/87/20/44/858872044.db2.gz HYLVDHLPEBZPRQ-IHPCNDPISA-N 0 0 410.468 4.051 20 30 HIEDRN COc1ccc(-n2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)n2)cc1 ZINC000431935730 858877987 /nfs/dbraw/zinc/87/79/87/858877987.db2.gz HMCDAVXWEHWCFP-QFIPXVFZSA-N 0 0 403.486 4.115 20 30 HIEDRN N#CCCC[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 ZINC000431938626 858878556 /nfs/dbraw/zinc/87/85/56/858878556.db2.gz OUYRFZFSIDKGRN-HKUYNNGSSA-N 0 0 410.905 4.180 20 30 HIEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431952629 858884357 /nfs/dbraw/zinc/88/43/57/858884357.db2.gz GIZCTENGVAAEQS-ZDUSSCGKSA-N 0 0 422.485 4.254 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431960969 858889334 /nfs/dbraw/zinc/88/93/34/858889334.db2.gz RAENVFKIHMNJMR-CQSZACIVSA-N 0 0 404.495 4.115 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N(CCCO)Cc2ccccn2)cc1 ZINC000431968308 858893320 /nfs/dbraw/zinc/89/33/20/858893320.db2.gz IHFMKMMCWIJOFC-UHFFFAOYSA-N 0 0 402.454 4.162 20 30 HIEDRN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@]2(CCCOC2)O1 ZINC000431968994 858894136 /nfs/dbraw/zinc/89/41/36/858894136.db2.gz CRTUASRSTYUJBH-GAJHUEQPSA-N 0 0 407.470 4.152 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nccn2CC)cc1 ZINC000431978651 858899609 /nfs/dbraw/zinc/89/96/09/858899609.db2.gz ZFRDFFSOUFGJGJ-NRFANRHFSA-N 0 0 421.545 4.476 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(Cn3cccn3)on2)cc1Cl ZINC000432009443 858923915 /nfs/dbraw/zinc/92/39/15/858923915.db2.gz VTOCPFYVBYTZDN-IBGZPJMESA-N 0 0 417.856 4.481 20 30 HIEDRN N#CCCC[C@H](c1ccccc1)N1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000432035410 858943675 /nfs/dbraw/zinc/94/36/75/858943675.db2.gz UVJFFAVEZLHOOF-MSOLQXFVSA-N 0 0 412.287 4.477 20 30 HIEDRN CC(F)(F)c1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000432072073 858967333 /nfs/dbraw/zinc/96/73/33/858967333.db2.gz OYIMTUDDCUSJKE-SFHVURJKSA-N 0 0 416.447 4.277 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000432075773 858971191 /nfs/dbraw/zinc/97/11/91/858971191.db2.gz GGXCCTCVTZMNRX-KYFSNAEOSA-N 0 0 403.548 4.271 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000432078545 858973044 /nfs/dbraw/zinc/97/30/44/858973044.db2.gz INICVUMPQJSGFO-OAHLLOKOSA-N 0 0 411.531 4.496 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1C(F)(F)F ZINC000432081164 858974972 /nfs/dbraw/zinc/97/49/72/858974972.db2.gz QRFMMUXOJDDEMX-UHFFFAOYSA-N 0 0 414.792 4.160 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)cc1 ZINC000432126128 859004829 /nfs/dbraw/zinc/00/48/29/859004829.db2.gz JRMHWPROCUWIFL-UHFFFAOYSA-N 0 0 405.376 4.374 20 30 HIEDRN CN(CC(C)(C)C#N)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000432144898 859014412 /nfs/dbraw/zinc/01/44/12/859014412.db2.gz MMPYGCBITHZLME-UHFFFAOYSA-N 0 0 421.570 4.176 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c(C(F)(F)F)c1 ZINC000432265503 859075455 /nfs/dbraw/zinc/07/54/55/859075455.db2.gz UNRSKZBKTSGOOT-AWEZNQCLSA-N 0 0 414.836 4.409 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cc1Cl ZINC000432300632 859092409 /nfs/dbraw/zinc/09/24/09/859092409.db2.gz FVSSOBHVIJULFJ-CQSZACIVSA-N 0 0 400.809 4.457 20 30 HIEDRN COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc(C#N)c2C)C[C@H]2CCCC[C@@H]21 ZINC000432340812 859109898 /nfs/dbraw/zinc/10/98/98/859109898.db2.gz PNWQRNGESJJRTI-WTNAPCKOSA-N 0 0 417.509 4.287 20 30 HIEDRN N#CCC[C@@H](c1ccccc1)N1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000432389381 859140165 /nfs/dbraw/zinc/14/01/65/859140165.db2.gz VDOUBFHEKJUVMT-SFHVURJKSA-N 0 0 412.287 4.258 20 30 HIEDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1Cl ZINC000432399545 859145336 /nfs/dbraw/zinc/14/53/36/859145336.db2.gz KBOUMARKQYXWRK-UHFFFAOYSA-N 0 0 412.921 4.448 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)NCC[C@@H](c3ccccc3)C(F)(F)F)CCO2)c1 ZINC000432464177 859175944 /nfs/dbraw/zinc/17/59/44/859175944.db2.gz MDRJULPPCMPERT-VQTJNVASSA-N 0 0 417.431 4.377 20 30 HIEDRN Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(OC[C@H]2CCCO2)c1 ZINC000432481267 859185358 /nfs/dbraw/zinc/18/53/58/859185358.db2.gz YLJHXQUZLVZKQY-LJQANCHMSA-N 0 0 421.497 4.172 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c(Cl)c1 ZINC000432494223 859193313 /nfs/dbraw/zinc/19/33/13/859193313.db2.gz MIPSSRXTRHSHPQ-UHFFFAOYSA-N 0 0 403.829 4.086 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000432504447 859198728 /nfs/dbraw/zinc/19/87/28/859198728.db2.gz ZFUVLWUIWUPJHR-HSZRJFAPSA-N 0 0 419.525 4.268 20 30 HIEDRN COc1ccc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1OC ZINC000432577366 859235574 /nfs/dbraw/zinc/23/55/74/859235574.db2.gz GLWPKUAHGFOVQF-FQEVSTJZSA-N 0 0 421.497 4.048 20 30 HIEDRN CN(Cc1ccccc1C(F)(F)F)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432577891 859236432 /nfs/dbraw/zinc/23/64/32/859236432.db2.gz IHRCDBCTARQJOV-UHFFFAOYSA-N 0 0 403.404 4.344 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432584002 859239430 /nfs/dbraw/zinc/23/94/30/859239430.db2.gz KYZWTLQGKDTIAU-UHFFFAOYSA-N 0 0 401.470 4.108 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432677694 859287535 /nfs/dbraw/zinc/28/75/35/859287535.db2.gz RBARNYNSUMDYKD-UHFFFAOYSA-N 0 0 400.438 4.013 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000432721245 859318294 /nfs/dbraw/zinc/31/82/94/859318294.db2.gz ZHIUVVIPQHMVSO-UHFFFAOYSA-N 0 0 417.289 4.191 20 30 HIEDRN CN(C[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000432755830 859337051 /nfs/dbraw/zinc/33/70/51/859337051.db2.gz FIEZQCHRIVTVGQ-OAQYLSRUSA-N 0 0 401.466 4.418 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)C2)nc1 ZINC000432764304 859342551 /nfs/dbraw/zinc/34/25/51/859342551.db2.gz USCFKANNCHDPMQ-INIZCTEOSA-N 0 0 405.483 4.126 20 30 HIEDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)c1 ZINC000432766810 859346199 /nfs/dbraw/zinc/34/61/99/859346199.db2.gz QZBXTYQOSWHDPX-WMQCIHAUSA-N 0 0 404.514 4.294 20 30 HIEDRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C#N)o3)cc2Cl)n1 ZINC000432778624 859355988 /nfs/dbraw/zinc/35/59/88/859355988.db2.gz FQGUFGWKXIXAJA-ZDUSSCGKSA-N 0 0 411.849 4.070 20 30 HIEDRN CCSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000432803904 859368575 /nfs/dbraw/zinc/36/85/75/859368575.db2.gz HAZGECLIXGESKL-OAHLLOKOSA-N 0 0 402.907 4.404 20 30 HIEDRN Cn1cc(Br)c(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000432817988 859373028 /nfs/dbraw/zinc/37/30/28/859373028.db2.gz ILGVGSANVVQLPR-UHFFFAOYSA-N 0 0 413.294 4.396 20 30 HIEDRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)c1 ZINC000432834113 859379036 /nfs/dbraw/zinc/37/90/36/859379036.db2.gz HKVMCEQJROKFJI-UHFFFAOYSA-N 0 0 415.449 4.145 20 30 HIEDRN COc1cc(C(=O)Nc2cccc(C#N)c2C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000432832933 859379547 /nfs/dbraw/zinc/37/95/47/859379547.db2.gz TVSDBFDJISEJHO-UHFFFAOYSA-N 0 0 424.438 4.071 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000432845033 859385727 /nfs/dbraw/zinc/38/57/27/859385727.db2.gz BLPOKBHANBXTHI-JOCHJYFZSA-N 0 0 405.498 4.357 20 30 HIEDRN C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432880121 859404979 /nfs/dbraw/zinc/40/49/79/859404979.db2.gz WQCLSIVEVDURIU-LLVKDONJSA-N 0 0 413.724 4.356 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000432887255 859409106 /nfs/dbraw/zinc/40/91/06/859409106.db2.gz GUQURBQCGWTKEC-UHFFFAOYSA-N 0 0 402.292 4.426 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000432913185 859427042 /nfs/dbraw/zinc/42/70/42/859427042.db2.gz DJQSAYQKFSNKGH-GOSISDBHSA-N 0 0 405.420 4.460 20 30 HIEDRN CC(C)n1cnnc1CN(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000432917530 859429210 /nfs/dbraw/zinc/42/92/10/859429210.db2.gz LICBPQYROVIQGE-UHFFFAOYSA-N 0 0 418.501 4.168 20 30 HIEDRN CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000432958366 859448470 /nfs/dbraw/zinc/44/84/70/859448470.db2.gz GINSNHMKJZGQEJ-OAHLLOKOSA-N 0 0 400.866 4.079 20 30 HIEDRN Cc1ccc(-c2ccc(C)c(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)o1 ZINC000432977981 859459821 /nfs/dbraw/zinc/45/98/21/859459821.db2.gz GWXYQCWETIRDAF-UHFFFAOYSA-N 0 0 401.470 4.184 20 30 HIEDRN Cn1cc(C#N)cc1C(=O)Nc1c(-c2ccccc2)nc2ccc(Br)cn21 ZINC000432979258 859460783 /nfs/dbraw/zinc/46/07/83/859460783.db2.gz MEUAEPWIWNHQIN-UHFFFAOYSA-N 0 0 420.270 4.226 20 30 HIEDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(Br)c1F ZINC000433107427 859523776 /nfs/dbraw/zinc/52/37/76/859523776.db2.gz WFEBBUHVXZWUOH-JTQLQIEISA-N 0 0 420.238 4.129 20 30 HIEDRN Cc1cnc(C2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)s1 ZINC000433136247 859535667 /nfs/dbraw/zinc/53/56/67/859535667.db2.gz WXDDRLGFYMLDPE-INIZCTEOSA-N 0 0 400.523 4.105 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433191948 859560244 /nfs/dbraw/zinc/56/02/44/859560244.db2.gz XCMUFGBIZJAEOV-GOSISDBHSA-N 0 0 402.248 4.002 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433233563 859582224 /nfs/dbraw/zinc/58/22/24/859582224.db2.gz GUBLBCFIBCYEIR-HNNXBMFYSA-N 0 0 403.885 4.255 20 30 HIEDRN COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCCO1 ZINC000433248674 859590653 /nfs/dbraw/zinc/59/06/53/859590653.db2.gz TUZWJVGSGJRNPB-SESVDKBCSA-N 0 0 413.905 4.311 20 30 HIEDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000433277635 859612419 /nfs/dbraw/zinc/61/24/19/859612419.db2.gz AFOJZZPIADXSQM-WIYYLYMNSA-N 0 0 419.529 4.326 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000433305216 859627478 /nfs/dbraw/zinc/62/74/78/859627478.db2.gz PEIWXZMUPRAVCW-KRWDZBQOSA-N 0 0 402.429 4.184 20 30 HIEDRN COc1ccc(CN(C(=O)CN(C)CC(C)(C)C#N)[C@H](C)Cc2cccs2)cc1 ZINC000433318625 859637466 /nfs/dbraw/zinc/63/74/66/859637466.db2.gz OQZLLNSYIZTVSR-GOSISDBHSA-N 0 0 413.587 4.198 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 ZINC000433348184 859656502 /nfs/dbraw/zinc/65/65/02/859656502.db2.gz STFHZBTVOGURMU-QHCPKHFHSA-N 0 0 408.505 4.473 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000433364900 859660153 /nfs/dbraw/zinc/66/01/53/859660153.db2.gz VQKDHIRZVMJEDB-CQSZACIVSA-N 0 0 423.257 4.439 20 30 HIEDRN CCn1c(SCC#Cc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccn1 ZINC000433386212 859668411 /nfs/dbraw/zinc/66/84/11/859668411.db2.gz HBIDILFMQFKMSP-UHFFFAOYSA-N 0 0 404.417 4.402 20 30 HIEDRN COc1cc(-c2nnc(SCC#Cc3ccc(F)cc3)o2)cc(OC)c1OC ZINC000433390668 859671812 /nfs/dbraw/zinc/67/18/12/859671812.db2.gz SJSZSHAZKGUQQA-UHFFFAOYSA-N 0 0 400.431 4.045 20 30 HIEDRN C=CCn1c(SCCc2cccc(OC(F)(F)F)c2)nnc1-c1cnccn1 ZINC000433392648 859673500 /nfs/dbraw/zinc/67/35/00/859673500.db2.gz XFDPECFCIRGLLV-UHFFFAOYSA-N 0 0 407.421 4.155 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(Oc2ccccc2)cc1 ZINC000433483430 859724972 /nfs/dbraw/zinc/72/49/72/859724972.db2.gz KJRSZJDUDXXGEL-OAHLLOKOSA-N 0 0 403.413 4.306 20 30 HIEDRN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433516305 859748483 /nfs/dbraw/zinc/74/84/83/859748483.db2.gz GJLQQQWPXSFTMA-HNNXBMFYSA-N 0 0 407.470 4.487 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cnn(-c3ccc(C)cc3)c2CCC)c1 ZINC000433650948 859824916 /nfs/dbraw/zinc/82/49/16/859824916.db2.gz SYZDNMLGNMBASZ-UHFFFAOYSA-N 0 0 418.497 4.275 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000433670842 859832959 /nfs/dbraw/zinc/83/29/59/859832959.db2.gz DDVMOFBOOJGGEQ-GOSISDBHSA-N 0 0 417.509 4.175 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2ccccc2NC(=O)C[C@H]2C=CCC2)C1=O ZINC000433693288 859840198 /nfs/dbraw/zinc/84/01/98/859840198.db2.gz CIVODLPGEBTJRM-KXBFYZLASA-N 0 0 406.511 4.132 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433697311 859841727 /nfs/dbraw/zinc/84/17/27/859841727.db2.gz NACGFPWISOXSHU-MBSDFSHPSA-N 0 0 416.525 4.099 20 30 HIEDRN N#Cc1c(NC(=O)Cc2ccccc2I)sc2c1CCCC2 ZINC000433714859 859850299 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N#CCCCOc1cccnc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000433848238 859931748 /nfs/dbraw/zinc/93/17/48/859931748.db2.gz VNJKOFKWLYVWJY-UHFFFAOYSA-N 0 0 410.449 4.030 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2C(F)(F)F)c(F)c1 ZINC000433883927 859950286 /nfs/dbraw/zinc/95/02/86/859950286.db2.gz HJQWELIDQRBPRV-GOSISDBHSA-N 0 0 419.378 4.408 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(C)[C@@H](C)c2cccc(O)c2)nnc1-c1ccco1 ZINC000433913955 859966784 /nfs/dbraw/zinc/96/67/84/859966784.db2.gz GBWONIDKIYPWBC-HNNXBMFYSA-N 0 0 412.515 4.132 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000433989678 860021269 /nfs/dbraw/zinc/02/12/69/860021269.db2.gz ZPUXFIXBZGVSLP-KRWDZBQOSA-N 0 0 401.441 4.341 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)c1C#N ZINC000433989688 860021401 /nfs/dbraw/zinc/02/14/01/860021401.db2.gz ZRFLUKXRWWELNP-MRXNPFEDSA-N 0 0 406.555 4.199 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@H]1C#N ZINC000434010648 860037710 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HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434050121 860063523 /nfs/dbraw/zinc/06/35/23/860063523.db2.gz VYTFJBVFTDOWKW-IAQYHMDHSA-N 0 0 411.342 4.046 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000434050122 860064386 /nfs/dbraw/zinc/06/43/86/860064386.db2.gz VYTFJBVFTDOWKW-NHYWBVRUSA-N 0 0 411.342 4.046 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c2)cc1 ZINC000434055768 860068270 /nfs/dbraw/zinc/06/82/70/860068270.db2.gz ZQMGPWMLZLLOGX-VQIMIIECSA-N 0 0 404.388 4.126 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000434080897 860088658 /nfs/dbraw/zinc/08/86/58/860088658.db2.gz NFVBCIRRBHPGDO-UHFFFAOYSA-N 0 0 415.877 4.208 20 30 HIEDRN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 ZINC000434125742 860126509 /nfs/dbraw/zinc/12/65/09/860126509.db2.gz UNSBTJUNFCSFEF-UHFFFAOYSA-N 0 0 400.500 4.172 20 30 HIEDRN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000434153469 860149517 /nfs/dbraw/zinc/14/95/17/860149517.db2.gz MMQXSFUTJSBPET-CQSZACIVSA-N 0 0 411.412 4.918 20 30 HIEDRN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000434157780 860152931 /nfs/dbraw/zinc/15/29/31/860152931.db2.gz ADDNXFNGZSDYHL-SECBINFHSA-N 0 0 403.298 4.167 20 30 HIEDRN COC(=O)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1 ZINC000434157837 860152945 /nfs/dbraw/zinc/15/29/45/860152945.db2.gz AOQZOPZBRUOLGF-WMLDXEAASA-N 0 0 415.490 4.156 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000434158835 860153936 /nfs/dbraw/zinc/15/39/36/860153936.db2.gz HJLLOQRTZNWBBO-DVOMOZLQSA-N 0 0 401.454 4.105 20 30 HIEDRN CCNC(=O)N1CCc2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc21 ZINC000467713595 881511647 /nfs/dbraw/zinc/51/16/47/881511647.db2.gz FGYMDVMLGYEAQB-LEWJYISDSA-N 0 0 417.513 4.082 20 30 HIEDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000434247650 860227547 /nfs/dbraw/zinc/22/75/47/860227547.db2.gz 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CC(C)[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1Cl ZINC000434586627 860414390 /nfs/dbraw/zinc/41/43/90/860414390.db2.gz PJIDCQIXNHWIQB-SFHVURJKSA-N 0 0 400.910 4.220 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000434593990 860417482 /nfs/dbraw/zinc/41/74/82/860417482.db2.gz FOOVFUDMFZZKKG-HXUWFJFHSA-N 0 0 417.513 4.288 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000434596665 860419594 /nfs/dbraw/zinc/41/95/94/860419594.db2.gz LDPMFZUKZJLJOT-LJQANCHMSA-N 0 0 412.921 4.364 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCOc3c(F)cccc3C2)c1C#N ZINC000434626196 860437354 /nfs/dbraw/zinc/43/73/54/860437354.db2.gz XMMBYOMPHXAUEB-UHFFFAOYSA-N 0 0 410.493 4.064 20 30 HIEDRN COc1cc2c(cc1F)n(CCC(C#N)(c1ccccc1)c1ccccc1)cnc2=O ZINC000434650262 860446428 /nfs/dbraw/zinc/44/64/28/860446428.db2.gz KQSAFOHFSOYRSC-UHFFFAOYSA-N 0 0 413.452 4.444 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000434671363 860453602 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCc1ccccc1Br ZINC000461294878 874300169 /nfs/dbraw/zinc/30/01/69/874300169.db2.gz AWEDWDSNAGJARK-UHFFFAOYSA-N 0 0 424.302 4.171 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2occc2CSc2ccccc2)cn1 ZINC000461299788 874304775 /nfs/dbraw/zinc/30/47/75/874304775.db2.gz ZSRATZHHZPGPKC-UHFFFAOYSA-N 0 0 401.451 4.277 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000461324851 874336276 /nfs/dbraw/zinc/33/62/76/874336276.db2.gz SDLDQQOBZOROQO-UHFFFAOYSA-N 0 0 422.492 4.742 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1noc(COC(C)C)n1 ZINC000461359977 874361883 /nfs/dbraw/zinc/36/18/83/874361883.db2.gz AYCIMMMTYJYHAV-LBPRGKRZSA-N 0 0 413.396 4.069 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccccc2F)n1C[C@H]1CCOC1 ZINC000461377279 874383126 /nfs/dbraw/zinc/38/31/26/874383126.db2.gz IQUGIMICWDMZSA-HXUWFJFHSA-N 0 0 406.505 4.237 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C[C@H]2CCOC2)cc1 ZINC000461384856 874391956 /nfs/dbraw/zinc/39/19/56/874391956.db2.gz HVOFZZFWJJQECW-MJGOQNOKSA-N 0 0 405.527 4.256 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2C[C@H]2CCOC2)c1 ZINC000461390120 874397230 /nfs/dbraw/zinc/39/72/30/874397230.db2.gz VNPKBULGTQHRTP-XLIONFOSSA-N 0 0 405.527 4.256 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3c3ccsc3)n2C[C@H]2CCOC2)c1 ZINC000461390121 874398002 /nfs/dbraw/zinc/39/80/02/874398002.db2.gz VNPKBULGTQHRTP-YLJYHZDGSA-N 0 0 405.527 4.256 20 30 HIEDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000461391940 874398397 /nfs/dbraw/zinc/39/83/97/874398397.db2.gz ULEULSDVRPAGOD-OAQYLSRUSA-N 0 0 401.514 4.118 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H]3CCCN(CC(C)(C)C)C3=O)o2)cc1 ZINC000461409836 874425717 /nfs/dbraw/zinc/42/57/17/874425717.db2.gz RTWQWUCEUSHGIC-KRWDZBQOSA-N 0 0 401.532 4.431 20 30 HIEDRN COC(=O)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccccc1 ZINC000461414985 874434631 /nfs/dbraw/zinc/43/46/31/874434631.db2.gz JWRPFVGYPAADEM-HSZRJFAPSA-N 0 0 414.461 4.232 20 30 HIEDRN CO[C@H](C)c1noc(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 ZINC000468721621 882829018 /nfs/dbraw/zinc/82/90/18/882829018.db2.gz BPERLHRKAJMTHS-MRXNPFEDSA-N 0 0 420.469 4.107 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cccs1 ZINC000461479364 874537899 /nfs/dbraw/zinc/53/78/99/874537899.db2.gz JVAYIAJSDPQONN-CQSZACIVSA-N 0 0 401.923 4.359 20 30 HIEDRN C=CC[C@H]1N(c2nnc([C@@H]3COCCO3)n2Cc2cccs2)CCCC1(C)C ZINC000461482251 874542350 /nfs/dbraw/zinc/54/23/50/874542350.db2.gz AXMGZJGAFMYXKG-ZWKOTPCHSA-N 0 0 402.564 4.047 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H]3[C@@H]3CCCO3)n2Cc2cccs2)c1 ZINC000461493596 874562372 /nfs/dbraw/zinc/56/23/72/874562372.db2.gz HTNDHKXUTDZJCL-UXHICEINSA-N 0 0 405.527 4.074 20 30 HIEDRN C[C@@H](O)C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccccc1 ZINC000468754515 882844227 /nfs/dbraw/zinc/84/42/27/882844227.db2.gz ADTIZQWPKLBAHU-NTKDMRAZSA-N 0 0 414.505 4.422 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(C(F)(F)Oc2ccccc2)n1Cc1cccs1 ZINC000461506217 874582190 /nfs/dbraw/zinc/58/21/90/874582190.db2.gz IFQDETJMEHANFW-AWEZNQCLSA-N 0 0 403.458 4.255 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F ZINC000468752511 882843789 /nfs/dbraw/zinc/84/37/89/882843789.db2.gz AEBHXNHWBJYZQV-IEBWSBKVSA-N 0 0 407.436 4.105 20 30 HIEDRN CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461529673 874615669 /nfs/dbraw/zinc/61/56/69/874615669.db2.gz BJQURXCGHXTRCQ-LJQANCHMSA-N 0 0 421.570 4.374 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC1 ZINC000461529669 874615781 /nfs/dbraw/zinc/61/57/81/874615781.db2.gz BINIMQQVWVMDMP-SJORKVTESA-N 0 0 402.926 4.286 20 30 HIEDRN CC1CN(C(=O)c2cccc(C#N)c2)c2ccccc2N(C(=O)c2cccc(C#N)c2)C1 ZINC000461532035 874618204 /nfs/dbraw/zinc/61/82/04/874618204.db2.gz PYHRUGYEEODTRZ-UHFFFAOYSA-N 0 0 420.472 4.373 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC1 ZINC000461573233 874675120 /nfs/dbraw/zinc/67/51/20/874675120.db2.gz XXULGHBJWMILPZ-AWEZNQCLSA-N 0 0 403.939 4.217 20 30 HIEDRN C[C@@H]1[C@H](c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461595542 874719767 /nfs/dbraw/zinc/71/97/67/874719767.db2.gz FUFCBRWFTGBLNY-QMHWCDLVSA-N 0 0 413.525 4.236 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000468782242 882858115 /nfs/dbraw/zinc/85/81/15/882858115.db2.gz BVKSUBDGBDMDNX-UHFFFAOYSA-N 0 0 403.236 4.303 20 30 HIEDRN C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461602844 874734988 /nfs/dbraw/zinc/73/49/88/874734988.db2.gz MWYIYXCJKDYSJF-XQFWAAQXSA-N 0 0 413.525 4.236 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461606121 874741907 /nfs/dbraw/zinc/74/19/07/874741907.db2.gz GPDWOUQAPJWKHN-QMHWCDLVSA-N 0 0 413.525 4.236 20 30 HIEDRN COc1ccc([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)cc1 ZINC000461605583 874742664 /nfs/dbraw/zinc/74/26/64/874742664.db2.gz SBHRWNVCIFOYQB-MJGOQNOKSA-N 0 0 417.513 4.059 20 30 HIEDRN COc1ccc([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)cc1 ZINC000461611768 874754589 /nfs/dbraw/zinc/75/45/89/874754589.db2.gz DNFRAQCNDLABIL-PKOBYXMFSA-N 0 0 417.513 4.059 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCOC2)CCCC1(C)C ZINC000461621258 874774518 /nfs/dbraw/zinc/77/45/18/874774518.db2.gz UMKXKLCBRJCNFR-KNQAVFIVSA-N 0 0 424.589 4.485 20 30 HIEDRN CCCN(Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461637992 874795712 /nfs/dbraw/zinc/79/57/12/874795712.db2.gz ZPTCEGFVZFQMIO-OAQYLSRUSA-N 0 0 401.514 4.270 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2C[C@@H]2CCOC2)c1 ZINC000461655419 874810054 /nfs/dbraw/zinc/81/00/54/874810054.db2.gz NNTCDMZPKRCAHK-KRWDZBQOSA-N 0 0 419.451 4.022 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000468803353 882866806 /nfs/dbraw/zinc/86/68/06/882866806.db2.gz CUNUVIHBEFQIIH-UHFFFAOYSA-N 0 0 416.510 4.492 20 30 HIEDRN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 ZINC000461675884 874826408 /nfs/dbraw/zinc/82/64/08/874826408.db2.gz ZQPKDELBMPVULB-NVXWUHKLSA-N 0 0 423.467 4.329 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@H]3CCCN(c4cccc(F)c4)C3=O)ccc21 ZINC000468804722 882867617 /nfs/dbraw/zinc/86/76/17/882867617.db2.gz BVESZKZPSWXCEQ-NRFANRHFSA-N 0 0 420.488 4.016 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC1 ZINC000461697525 874847098 /nfs/dbraw/zinc/84/70/98/874847098.db2.gz DHBDGQYTHVEIBD-SFHVURJKSA-N 0 0 422.504 4.322 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000461699852 874849645 /nfs/dbraw/zinc/84/96/45/874849645.db2.gz LSZDYFHWRNQKAP-UHFFFAOYSA-N 0 0 410.477 4.487 20 30 HIEDRN Cc1cccc(O[C@@H](C)c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCOC2)c1C ZINC000461700270 874850047 /nfs/dbraw/zinc/85/00/47/874850047.db2.gz LLKFGEXQOZJKOR-FPOVZHCZSA-N 0 0 423.561 4.202 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)n1 ZINC000468807203 882869770 /nfs/dbraw/zinc/86/97/70/882869770.db2.gz CNOLVHNKTXGVPH-UHFFFAOYSA-N 0 0 402.426 4.918 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(F)cc1I ZINC000461710171 874858881 /nfs/dbraw/zinc/85/88/81/874858881.db2.gz GUPQYBDIXPVWGC-UHFFFAOYSA-N 0 0 423.229 4.376 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000461711865 874860536 /nfs/dbraw/zinc/86/05/36/874860536.db2.gz YUTALQCCRFKDKJ-UHFFFAOYSA-N 0 0 416.275 4.166 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4sccc4C3)n2C[C@@H]2CCCCO2)cc1 ZINC000461734231 874879425 /nfs/dbraw/zinc/87/94/25/874879425.db2.gz PMOIVUWQLOCOTK-IBGZPJMESA-N 0 0 405.527 4.010 20 30 HIEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000461743196 874886495 /nfs/dbraw/zinc/88/64/95/874886495.db2.gz SJHOKEXJBZHGOK-AWEZNQCLSA-N 0 0 403.404 4.168 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000461753766 874891732 /nfs/dbraw/zinc/89/17/32/874891732.db2.gz HDSLHTREZPAOGJ-UHFFFAOYSA-N 0 0 415.497 4.364 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 ZINC000461769885 874900509 /nfs/dbraw/zinc/90/05/09/874900509.db2.gz UEGXYNJWBSLVQG-LRDDRELGSA-N 0 0 417.893 4.377 20 30 HIEDRN Cc1nc(N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c(Cl)cc1C#N ZINC000461779153 874902991 /nfs/dbraw/zinc/90/29/91/874902991.db2.gz KJEJPNJYYIDHNU-UHFFFAOYSA-N 0 0 409.704 4.184 20 30 HIEDRN C[C@H]1CCCN(c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)ccn2)C1 ZINC000461786023 874904793 /nfs/dbraw/zinc/90/47/93/874904793.db2.gz OMOHYEIOGZXVSM-INIZCTEOSA-N 0 0 417.538 4.489 20 30 HIEDRN COc1cc(CN(C(=O)[C@@H](C)c2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000461794320 874909148 /nfs/dbraw/zinc/90/91/48/874909148.db2.gz IMLCJMLUVFULAH-AWEZNQCLSA-N 0 0 400.425 4.463 20 30 HIEDRN CC(C)N(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461806813 874919219 /nfs/dbraw/zinc/91/92/19/874919219.db2.gz JSSTVJZJBFNBQX-HXUWFJFHSA-N 0 0 405.502 4.394 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCO1 ZINC000461822733 874948508 /nfs/dbraw/zinc/94/85/08/874948508.db2.gz IFZWJRGRPYFYDK-KRWDZBQOSA-N 0 0 417.916 4.437 20 30 HIEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@@H]2CCCC[C@@H]21 ZINC000461824155 874949735 /nfs/dbraw/zinc/94/97/35/874949735.db2.gz BYWDLXSSRAWMMO-XYEHWOGUSA-N 0 0 405.546 4.401 20 30 HIEDRN CCCN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461831471 874962510 /nfs/dbraw/zinc/96/25/10/874962510.db2.gz MEELACDGEIGWRS-FCHUYYIVSA-N 0 0 423.561 4.171 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCCCO1 ZINC000461834380 874967787 /nfs/dbraw/zinc/96/77/87/874967787.db2.gz RXZHAGWXTVEDCV-IRLDBZIGSA-N 0 0 423.561 4.290 20 30 HIEDRN Cn1cc([C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2cccc(F)c2)cn1 ZINC000468842383 882886114 /nfs/dbraw/zinc/88/61/14/882886114.db2.gz DEOHGWITYLZFAB-DEOSSOPVSA-N 0 0 417.488 4.344 20 30 HIEDRN CS[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 ZINC000461838575 874974549 /nfs/dbraw/zinc/97/45/49/874974549.db2.gz ZRIGDIDCFLYQSI-PMACEKPBSA-N 0 0 411.575 4.108 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCO1 ZINC000461840969 874978409 /nfs/dbraw/zinc/97/84/09/874978409.db2.gz MOCUQLYZBZPFNH-HXUWFJFHSA-N 0 0 422.529 4.351 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(Cc2cccc3ccccc32)n1C[C@H]1CCCCO1 ZINC000461862199 875011364 /nfs/dbraw/zinc/01/13/64/875011364.db2.gz DOUHRSZUNABXEO-GHTZIAJQSA-N 0 0 403.530 4.330 20 30 HIEDRN C[C@H](CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)c1c[nH]c2ccccc21 ZINC000468841414 882885676 /nfs/dbraw/zinc/88/56/76/882885676.db2.gz FHCXVJUTSPBBFR-GOSISDBHSA-N 0 0 423.520 4.430 20 30 HIEDRN C[C@@H]1C[C@H](C)[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 ZINC000461873807 875025826 /nfs/dbraw/zinc/02/58/26/875025826.db2.gz XPJQNVLTHWCZHD-VQQMMKBISA-N 0 0 423.561 4.169 20 30 HIEDRN CSc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000461881753 875033911 /nfs/dbraw/zinc/03/39/11/875033911.db2.gz FJYVBSGYHWHHCW-LLVKDONJSA-N 0 0 400.447 4.338 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000461883124 875035377 /nfs/dbraw/zinc/03/53/77/875035377.db2.gz 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Cc1c([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)nnn1-c1ccccc1 ZINC000468952399 883017828 /nfs/dbraw/zinc/01/78/28/883017828.db2.gz KBJNGFJQNAFRGX-QGZVFWFLSA-N 0 0 414.513 4.332 20 30 HIEDRN CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2cccc(C#N)c2)cc1 ZINC000463304654 876364974 /nfs/dbraw/zinc/36/49/74/876364974.db2.gz CRISCUSRLXHNJK-UHFFFAOYSA-N 0 0 422.531 4.043 20 30 HIEDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000463308736 876367080 /nfs/dbraw/zinc/36/70/80/876367080.db2.gz KLCUPQWFDKWNNW-SJCJKPOMSA-N 0 0 403.251 4.178 20 30 HIEDRN C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000463308735 876367379 /nfs/dbraw/zinc/36/73/79/876367379.db2.gz KLCUPQWFDKWNNW-PXAZEXFGSA-N 0 0 403.251 4.178 20 30 HIEDRN C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000463334457 876390619 /nfs/dbraw/zinc/39/06/19/876390619.db2.gz JBCZMIGBDXFJAV-CYBMUJFWSA-N 0 0 403.404 4.408 20 30 HIEDRN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000463340054 876396071 /nfs/dbraw/zinc/39/60/71/876396071.db2.gz ZOQWDHNCJCNZCT-UHFFFAOYSA-N 0 0 404.297 4.032 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCn2c(cc3ccccc32)C1 ZINC000463354524 876407947 /nfs/dbraw/zinc/40/79/47/876407947.db2.gz KDJWESWJQRQEQE-QGZVFWFLSA-N 0 0 404.539 4.490 20 30 HIEDRN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000463375352 876429605 /nfs/dbraw/zinc/42/96/05/876429605.db2.gz LLDSENRZOLNXLU-UHFFFAOYSA-N 0 0 422.504 4.034 20 30 HIEDRN Cn1c(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)nnc1-c1ccccc1 ZINC000463397247 876451388 /nfs/dbraw/zinc/45/13/88/876451388.db2.gz UWYXOKYBMXJLPN-UHFFFAOYSA-N 0 0 423.476 4.119 20 30 HIEDRN N#Cc1ccc([C@H](Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)C(N)=O)cc1 ZINC000463405164 876459333 /nfs/dbraw/zinc/45/93/33/876459333.db2.gz ORZFMAPZSYBGLY-FQEVSTJZSA-N 0 0 422.847 4.242 20 30 HIEDRN N#Cc1ccc([C@@H](Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)C(N)=O)cc1 ZINC000463405167 876459383 /nfs/dbraw/zinc/45/93/83/876459383.db2.gz ORZFMAPZSYBGLY-HXUWFJFHSA-N 0 0 422.847 4.242 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2Cc3ccc(O)cc3C3(CC3)C2)c1C#N ZINC000463417138 876472300 /nfs/dbraw/zinc/47/23/00/876472300.db2.gz CMRFCVMMZFTNBS-UHFFFAOYSA-N 0 0 418.541 4.283 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000463418320 876472351 /nfs/dbraw/zinc/47/23/51/876472351.db2.gz YWIHAHCMSATZFC-LJQANCHMSA-N 0 0 419.554 4.218 20 30 HIEDRN Cc1cccc(COc2c(C)cc(CN(C)S(=O)(=O)CC3(C#N)CC3)cc2C)c1 ZINC000463423082 876479408 /nfs/dbraw/zinc/47/94/08/876479408.db2.gz GCLUVBOVSSPLJR-UHFFFAOYSA-N 0 0 412.555 4.256 20 30 HIEDRN CC(=O)N1CCC(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000463477222 876535426 /nfs/dbraw/zinc/53/54/26/876535426.db2.gz VVUNGIVYSULMAV-UHFFFAOYSA-N 0 0 423.488 4.254 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000463499841 876559230 /nfs/dbraw/zinc/55/92/30/876559230.db2.gz JEMPVMIPFXWKHT-UHFFFAOYSA-N 0 0 404.466 4.164 20 30 HIEDRN Cc1nc(-c2ccccc2)oc1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000468973993 883040611 /nfs/dbraw/zinc/04/06/11/883040611.db2.gz JXFNZUBVZLSSDC-UHFFFAOYSA-N 0 0 423.476 4.032 20 30 HIEDRN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCCSCc1ccccc1C#N ZINC000463501332 876562389 /nfs/dbraw/zinc/56/23/89/876562389.db2.gz NPAAJXPPWAIMTJ-UHFFFAOYSA-N 0 0 422.579 4.415 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000463516773 876581536 /nfs/dbraw/zinc/58/15/36/876581536.db2.gz WNMREYXEFKHNMR-UHFFFAOYSA-N 0 0 420.465 4.495 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463531183 876607381 /nfs/dbraw/zinc/60/73/81/876607381.db2.gz JKEUIJMIXIHFSV-DEOSSOPVSA-N 0 0 407.514 4.195 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)c1 ZINC000463543777 876625755 /nfs/dbraw/zinc/62/57/55/876625755.db2.gz KHSCLFJBHOSTKD-OAQYLSRUSA-N 0 0 408.546 4.421 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCN3Cc3ccccc3)cc2F)c1 ZINC000468984490 883049863 /nfs/dbraw/zinc/04/98/63/883049863.db2.gz MSNSJXHTIRBVGL-QHCPKHFHSA-N 0 0 415.468 4.489 20 30 HIEDRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC000463562286 876651435 /nfs/dbraw/zinc/65/14/35/876651435.db2.gz JGYCQZAJRUHDFW-JTQLQIEISA-N 0 0 406.273 4.206 20 30 HIEDRN C=CCN(C(=O)[C@H](C)c1cccc(Br)c1)c1nc(C(=O)OCC)cs1 ZINC000463574247 876669212 /nfs/dbraw/zinc/66/92/12/876669212.db2.gz NEIFOODEKOALBG-GFCCVEGCSA-N 0 0 423.332 4.405 20 30 HIEDRN CCC[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc2ccccn21 ZINC000468989141 883055102 /nfs/dbraw/zinc/05/51/02/883055102.db2.gz MZSVXHCFASWBDR-LJQANCHMSA-N 0 0 400.486 4.259 20 30 HIEDRN C=CCN(C(=O)c1cc(C)cc(Br)c1)c1nc(C(=O)OCC)cs1 ZINC000463592149 876701688 /nfs/dbraw/zinc/70/16/88/876701688.db2.gz SYYNLIQRZHCCHF-UHFFFAOYSA-N 0 0 409.305 4.224 20 30 HIEDRN C[C@@H]1CCCN(c2nnc(SCc3cc(F)ccc3C#N)n2Cc2ccco2)C1 ZINC000468992492 883058457 /nfs/dbraw/zinc/05/84/57/883058457.db2.gz PXUGSQKNHJHXIV-OAHLLOKOSA-N 0 0 411.506 4.459 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cc(-c2cnn(C)c2)no1 ZINC000468993216 883059399 /nfs/dbraw/zinc/05/93/99/883059399.db2.gz OUPBKPGTIUAWFK-UHFFFAOYSA-N 0 0 422.514 4.032 20 30 HIEDRN Cc1cc2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)oc2cc1C ZINC000463627006 876745099 /nfs/dbraw/zinc/74/50/99/876745099.db2.gz IRIHLFKHJNYVHK-GOSISDBHSA-N 0 0 405.479 4.075 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC(c3ccccc3)CC2)cc1 ZINC000463646283 876765227 /nfs/dbraw/zinc/76/52/27/876765227.db2.gz ZNGDOQKJSOQQRA-QETWGEEDSA-N 0 0 419.550 4.372 20 30 HIEDRN N#Cc1cc(N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)ccc1[N+](=O)[O-] ZINC000463650028 876770843 /nfs/dbraw/zinc/77/08/43/876770843.db2.gz OYJPASIYPKFFSL-FQEVSTJZSA-N 0 0 400.438 4.018 20 30 HIEDRN C=CCOCCCC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)cc2C)c(Cl)c1 ZINC000463662718 876783823 /nfs/dbraw/zinc/78/38/23/876783823.db2.gz UDZGDRQCUGZJCL-INIZCTEOSA-N 0 0 418.925 4.274 20 30 HIEDRN C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)c2ccccc2S1 ZINC000469000213 883066359 /nfs/dbraw/zinc/06/63/59/883066359.db2.gz QEHIPFQVTANBKD-NSHDSACASA-N 0 0 409.330 4.010 20 30 HIEDRN C=CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1OC ZINC000463726297 876846386 /nfs/dbraw/zinc/84/63/86/876846386.db2.gz GUBWNWXIVJBDMJ-JKSUJKDBSA-N 0 0 405.416 4.270 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000463754078 876877842 /nfs/dbraw/zinc/87/78/42/876877842.db2.gz NJGLLQMIPIDSDL-UHFFFAOYSA-N 0 0 406.482 4.252 20 30 HIEDRN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000463842630 876964300 /nfs/dbraw/zinc/96/43/00/876964300.db2.gz TVNBFWNYCHFNDX-HXUWFJFHSA-N 0 0 420.509 4.331 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000463875127 876996537 /nfs/dbraw/zinc/99/65/37/876996537.db2.gz LYKJISYKCGCISY-UHFFFAOYSA-N 0 0 405.281 4.314 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000463878075 876997739 /nfs/dbraw/zinc/99/77/39/876997739.db2.gz MTOPVYMCOXYRMK-UHFFFAOYSA-N 0 0 419.359 4.169 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)c1ccccc1 ZINC000463929996 877049057 /nfs/dbraw/zinc/04/90/57/877049057.db2.gz KWBKOEYOGCLPOB-IBGZPJMESA-N 0 0 406.486 4.350 20 30 HIEDRN C[C@@H](O)C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000469023623 883091474 /nfs/dbraw/zinc/09/14/74/883091474.db2.gz NYMPCQBLHZMVRS-DYESRHJHSA-N 0 0 401.466 4.030 20 30 HIEDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000464044644 877184029 /nfs/dbraw/zinc/18/40/29/877184029.db2.gz YFMKIGYFEKNQNS-UHFFFAOYSA-N 0 0 421.384 4.336 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)Cc1cc(Br)ccc1OC ZINC000469037378 883108682 /nfs/dbraw/zinc/10/86/82/883108682.db2.gz UKIVNFYETRHLTG-UHFFFAOYSA-N 0 0 402.292 4.332 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000464096955 877253258 /nfs/dbraw/zinc/25/32/58/877253258.db2.gz PFJMOOJYLLAAMB-CQSZACIVSA-N 0 0 416.884 4.151 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000464152764 877320427 /nfs/dbraw/zinc/32/04/27/877320427.db2.gz SVJBRQPXRHUXCF-MRXNPFEDSA-N 0 0 409.534 4.132 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503245176 912225426 /nfs/dbraw/zinc/22/54/26/912225426.db2.gz KKEUADMQBKMXGO-HXUWFJFHSA-N 0 0 411.914 4.177 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000464204678 877375794 /nfs/dbraw/zinc/37/57/94/877375794.db2.gz IPUCGFULOHICAH-OAGJVSPASA-N 0 0 402.541 4.275 20 30 HIEDRN N#Cc1ccc(OCC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 ZINC000464236611 877413472 /nfs/dbraw/zinc/41/34/72/877413472.db2.gz RXWKEQLHOXLJCC-GOSISDBHSA-N 0 0 407.470 4.393 20 30 HIEDRN C[C@@H](c1nccs1)N1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000464297545 877486267 /nfs/dbraw/zinc/48/62/67/877486267.db2.gz GXAZHKLUDPZSEE-KRWDZBQOSA-N 0 0 402.523 4.201 20 30 HIEDRN Cn1cccc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c1=O ZINC000464301424 877490802 /nfs/dbraw/zinc/49/08/02/877490802.db2.gz NDJIMQAZNSSLSM-UHFFFAOYSA-N 0 0 413.355 4.320 20 30 HIEDRN COc1ccccc1O[C@H](C)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000464306913 877497647 /nfs/dbraw/zinc/49/76/47/877497647.db2.gz ZZAZIZDGBBJXEU-GOSISDBHSA-N 0 0 416.477 4.343 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC(F)(F)[C@H](CO)C1)c1ccc(C(F)(F)F)cc1 ZINC000464378768 877578390 /nfs/dbraw/zinc/57/83/90/877578390.db2.gz XYMSFEUANRRMMY-HOTGVXAUSA-N 0 0 406.395 4.372 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCC(F)(F)[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1 ZINC000464378770 877578721 /nfs/dbraw/zinc/57/87/21/877578721.db2.gz XYMSFEUANRRMMY-HZPDHXFCSA-N 0 0 406.395 4.372 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)c2cscc2-c2ccccc2)cc(OC)c1OC ZINC000464395664 877596549 /nfs/dbraw/zinc/59/65/49/877596549.db2.gz CAONFEUCKUVZPG-SFHVURJKSA-N 0 0 408.479 4.436 20 30 HIEDRN C[C@@H]1CCCN(c2cc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)ccn2)C1 ZINC000464400430 877602116 /nfs/dbraw/zinc/60/21/16/877602116.db2.gz UUUNIPLJTVUDHH-KDOFPFPSSA-N 0 0 402.420 4.331 20 30 HIEDRN CC[C@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1c(C)nn(C)c1C ZINC000464402672 877603604 /nfs/dbraw/zinc/60/36/04/877603604.db2.gz AZAVIFJCJYUBQJ-NRFANRHFSA-N 0 0 402.498 4.369 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)cc2)nc1 ZINC000464407916 877611247 /nfs/dbraw/zinc/61/12/47/877611247.db2.gz ZKATUERCKJCNEB-NRFANRHFSA-N 0 0 421.460 4.386 20 30 HIEDRN N#C[C@H](C(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464408748 877613174 /nfs/dbraw/zinc/61/31/74/877613174.db2.gz RYVGPYXPNVTPSR-KRWDZBQOSA-N 0 0 410.355 4.238 20 30 HIEDRN C[C@H]1CCCN(c2cc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)ccn2)C1 ZINC000464410678 877615046 /nfs/dbraw/zinc/61/50/46/877615046.db2.gz YLOHDWNKWHJMGC-KSSFIOAISA-N 0 0 413.319 4.075 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000503271314 912255849 /nfs/dbraw/zinc/25/58/49/912255849.db2.gz WIAIMFFPRWHZAE-UHFFFAOYSA-N 0 0 412.396 4.196 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464415399 877621688 /nfs/dbraw/zinc/62/16/88/877621688.db2.gz WNNNUOFLJDMWJP-NSHDSACASA-N 0 0 421.272 4.265 20 30 HIEDRN 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RRMVYTBIABYPPJ-JOCHJYFZSA-N 0 0 410.468 4.369 20 30 HIEDRN C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000476882992 891841525 /nfs/dbraw/zinc/84/15/25/891841525.db2.gz KXHDBOLRKFZEEZ-YOEHRIQHSA-N 0 0 402.420 4.216 20 30 HIEDRN C=C(C)[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1OC)c1ccc(F)c(F)c1 ZINC000476896927 891854546 /nfs/dbraw/zinc/85/45/46/891854546.db2.gz SXFWBIRNVRMCGW-IBGZPJMESA-N 0 0 420.456 4.150 20 30 HIEDRN CCCc1c(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)cnn1-c1cccc(C#N)c1 ZINC000476934806 891877894 /nfs/dbraw/zinc/87/78/94/891877894.db2.gz WVHTZHACZJIRFM-QGZVFWFLSA-N 0 0 416.529 4.287 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NCCCN(C(=O)C1CCC1)C1CC1)c1ccc(F)c(F)c1 ZINC000476999995 891927461 /nfs/dbraw/zinc/92/74/61/891927461.db2.gz WPQCOAZONKJGGL-HXUWFJFHSA-N 0 0 405.489 4.062 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000477016050 891943693 /nfs/dbraw/zinc/94/36/93/891943693.db2.gz YQLMDFOWRQOECA-GOSISDBHSA-N 0 0 423.822 4.242 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000477047060 891974107 /nfs/dbraw/zinc/97/41/07/891974107.db2.gz FDANTIRYODVRII-UHFFFAOYSA-N 0 0 423.476 4.001 20 30 HIEDRN COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477052758 891982660 /nfs/dbraw/zinc/98/26/60/891982660.db2.gz UOBBWZAQTJTMMW-AUUYWEPGSA-N 0 0 416.930 4.365 20 30 HIEDRN Cc1sc2[nH]c(CSc3nnc(CC#N)n3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000477054980 891986763 /nfs/dbraw/zinc/98/67/63/891986763.db2.gz DIOBCXWVKSIUES-UHFFFAOYSA-N 0 0 422.539 4.168 20 30 HIEDRN C[C@@H](Sc1nnc(CC#N)n1C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000477062558 891995298 /nfs/dbraw/zinc/99/52/98/891995298.db2.gz AKBCAEZUOUYNON-LLVKDONJSA-N 0 0 408.512 4.112 20 30 HIEDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000477066168 891999159 /nfs/dbraw/zinc/99/91/59/891999159.db2.gz NJAULTRFHXOIRA-JWRCQZCYSA-N 0 0 407.539 4.168 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000477075745 892010221 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HIEDRN N#Cc1ccc(CSCC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1 ZINC000477250516 892203049 /nfs/dbraw/zinc/20/30/49/892203049.db2.gz FVLGPNLMYLFBLZ-QGZVFWFLSA-N 0 0 419.472 4.205 20 30 HIEDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000477286685 892244203 /nfs/dbraw/zinc/24/42/03/892244203.db2.gz UKYHDGALHWGVIV-KUHUBIRLSA-N 0 0 400.400 4.081 20 30 HIEDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CSCCCOc1cccc(C#N)c1 ZINC000477368173 892332423 /nfs/dbraw/zinc/33/24/23/892332423.db2.gz VKZWDFFVGSGDDD-HNNXBMFYSA-N 0 0 404.482 4.086 20 30 HIEDRN Cc1nc2ccccc2n1C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000477418638 892371270 /nfs/dbraw/zinc/37/12/70/892371270.db2.gz YEPZUKJXEBIAOA-UHFFFAOYSA-N 0 0 411.465 4.349 20 30 HIEDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)COc1ccccc1C#N ZINC000504921064 913658856 /nfs/dbraw/zinc/65/88/56/913658856.db2.gz VEXZJVUUZWFMLM-QGZVFWFLSA-N 0 0 415.287 4.072 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3ccn(C4CCCC4)n3)s2)cc1 ZINC000477447854 892399410 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418.415 4.265 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(C)ccc1Br)c1ccc(F)c(F)c1 ZINC000477664253 892801043 /nfs/dbraw/zinc/80/10/43/892801043.db2.gz OTOPKQJULPZTRP-KRWDZBQOSA-N 0 0 423.257 4.408 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1)c1ccc(F)c(F)c1 ZINC000477672568 892804319 /nfs/dbraw/zinc/80/43/19/892804319.db2.gz PVOKUJYPDMAIDZ-HXUWFJFHSA-N 0 0 415.440 4.053 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1OCC)c1ccc(F)c(F)c1 ZINC000477674781 892805720 /nfs/dbraw/zinc/80/57/20/892805720.db2.gz BKKCYPYGTROFLE-SFHVURJKSA-N 0 0 408.832 4.389 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(COCC2CC2)c1)c1ccc(F)c(F)c1 ZINC000477681767 892807823 /nfs/dbraw/zinc/80/78/23/892807823.db2.gz SFVDIIKEBJBFJG-OAQYLSRUSA-N 0 0 414.452 4.264 20 30 HIEDRN Cc1nc(-c2ccccc2NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cs1 ZINC000477700701 892817099 /nfs/dbraw/zinc/81/70/99/892817099.db2.gz XALOGEXNHSDAEG-UHFFFAOYSA-N 0 0 400.467 4.010 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccc(F)c(F)c1 ZINC000477719707 892825902 /nfs/dbraw/zinc/82/59/02/892825902.db2.gz CVEIZABHYKTQJU-HXUWFJFHSA-N 0 0 401.457 4.479 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1)c1ccc(F)c(F)c1 ZINC000477735791 892833745 /nfs/dbraw/zinc/83/37/45/892833745.db2.gz AYSZWAZIYLVWTJ-HXUWFJFHSA-N 0 0 405.489 4.159 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(F)c(F)c1 ZINC000477749793 892842139 /nfs/dbraw/zinc/84/21/39/892842139.db2.gz VNWCGOJKBGRIPA-OAQYLSRUSA-N 0 0 414.431 4.125 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000477754917 892845881 /nfs/dbraw/zinc/84/58/81/892845881.db2.gz MQSHNNZFKKSFEY-IERDGZPVSA-N 0 0 400.473 4.065 20 30 HIEDRN C[S@](=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1F ZINC000477767705 892854860 /nfs/dbraw/zinc/85/48/60/892854860.db2.gz GTGRLFPLMSALNT-LJAQVGFWSA-N 0 0 408.454 4.266 20 30 HIEDRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000477766969 892854894 /nfs/dbraw/zinc/85/48/94/892854894.db2.gz 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HIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(COc2ccc(C)cc2)n1CC ZINC000481344921 896714002 /nfs/dbraw/zinc/71/40/02/896714002.db2.gz UXNFBZHELJZVHM-QGZVFWFLSA-N 0 0 402.564 4.091 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)NCCc1cc2ccccc2s1 ZINC000481352500 896727514 /nfs/dbraw/zinc/72/75/14/896727514.db2.gz USETVGXPNGFQMU-UHFFFAOYSA-N 0 0 409.536 4.204 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1cccc(OC)c1 ZINC000481362486 896743802 /nfs/dbraw/zinc/74/38/02/896743802.db2.gz VZCZEEUBHCQHIG-MRXNPFEDSA-N 0 0 402.564 4.266 20 30 HIEDRN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)CCC#N)n2-c2ccccc2)cc1 ZINC000481365480 896749642 /nfs/dbraw/zinc/74/96/42/896749642.db2.gz DEBPUTROPTYXPR-KRWDZBQOSA-N 0 0 405.527 4.095 20 30 HIEDRN C=CCn1c(S[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)nnc1-c1ccccn1 ZINC000481367338 896752902 /nfs/dbraw/zinc/75/29/02/896752902.db2.gz DEAKPYOWQQAXQX-LJQANCHMSA-N 0 0 423.517 4.261 20 30 HIEDRN C=CCn1c(SCC(=O)N(C)Cc2ccccc2F)nnc1-c1ccccc1C ZINC000481371514 896762228 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C=CCn1c(COc2ccccc2)nnc1S[C@@H]1CCCN(c2ccccc2)C1=O ZINC000481385896 896786375 /nfs/dbraw/zinc/78/63/75/896786375.db2.gz GJOKTOQJZINZKY-HXUWFJFHSA-N 0 0 420.538 4.331 20 30 HIEDRN C=CCn1c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)nnc1-c1ccccn1 ZINC000481391250 896795624 /nfs/dbraw/zinc/79/56/24/896795624.db2.gz OPUQNJSMZSBFPP-AWEZNQCLSA-N 0 0 422.489 4.492 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)N2CCCC[C@H]2CC)nnc1-c1cccc(OC)c1 ZINC000481401342 896808578 /nfs/dbraw/zinc/80/85/78/896808578.db2.gz LLENQOQDRQHYJW-SJLPKXTDSA-N 0 0 414.575 4.411 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000481402252 896809115 /nfs/dbraw/zinc/80/91/15/896809115.db2.gz DOXUXWNRDWQWNC-MRXNPFEDSA-N 0 0 423.300 4.316 20 30 HIEDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1C ZINC000481418614 896821825 /nfs/dbraw/zinc/82/18/25/896821825.db2.gz KHECPQDFZSGLCA-ZOCZFRKYSA-N 0 0 423.488 4.156 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)N1CCC(F)(C#N)CC1)C(F)(F)F ZINC000481435682 896835548 /nfs/dbraw/zinc/83/55/48/896835548.db2.gz DHJSJFHYQUUXHF-KRWDZBQOSA-N 0 0 423.414 4.130 20 30 HIEDRN CCOC(=O)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(OC)c(F)c1 ZINC000481437169 896836263 /nfs/dbraw/zinc/83/62/63/896836263.db2.gz UGXZXSZZSFKNTM-LJQANCHMSA-N 0 0 409.379 4.099 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481439104 896838644 /nfs/dbraw/zinc/83/86/44/896838644.db2.gz BTHUEHBXCCOLOU-VLIAUNLRSA-N 0 0 417.893 4.135 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000481444778 896842589 /nfs/dbraw/zinc/84/25/89/896842589.db2.gz MVGHVNYIBAATOY-UHFFFAOYSA-N 0 0 411.355 4.029 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000481445214 896842607 /nfs/dbraw/zinc/84/26/07/896842607.db2.gz QOVQFJUDEBVZTI-QGZVFWFLSA-N 0 0 400.372 4.302 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2cc(C)oc2C)nnc1-c1ccco1 ZINC000481472118 896860577 /nfs/dbraw/zinc/86/05/77/896860577.db2.gz CFIYOMITXGTBQN-AWEZNQCLSA-N 0 0 400.504 4.294 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000481511488 896881012 /nfs/dbraw/zinc/88/10/12/896881012.db2.gz XREUFAWTRJIPDO-UHFFFAOYSA-N 0 0 413.275 4.189 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)CCCc1ccccc1Br ZINC000481522798 896887697 /nfs/dbraw/zinc/88/76/97/896887697.db2.gz UYZMMZQBGIIXGF-UHFFFAOYSA-N 0 0 402.292 4.488 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCO[C@@H](COc4ccccc4)C3)c2)cc1 ZINC000481538730 896897760 /nfs/dbraw/zinc/89/77/60/896897760.db2.gz XNXLLTTWEIJJGF-XMMPIXPASA-N 0 0 414.461 4.271 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000481545071 896904796 /nfs/dbraw/zinc/90/47/96/896904796.db2.gz NGYHMUVRNMRBDO-NRFANRHFSA-N 0 0 414.461 4.271 20 30 HIEDRN COc1ccc([C@H](CNC(=O)c2ccc(C#N)c(C)n2)c2c[nH]c3ccccc32)cc1 ZINC000481557307 896927759 /nfs/dbraw/zinc/92/77/59/896927759.db2.gz VETLJWSXXHHRFY-NRFANRHFSA-N 0 0 410.477 4.314 20 30 HIEDRN Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000481555941 896927995 /nfs/dbraw/zinc/92/79/95/896927995.db2.gz HHRFWOUVHFMLPB-UHFFFAOYSA-N 0 0 409.449 4.015 20 30 HIEDRN C=C(C)[C@H](NCC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000481579939 896959588 /nfs/dbraw/zinc/95/95/88/896959588.db2.gz RBHPXLCBJMCVNE-PEBXRYMYSA-N 0 0 404.457 4.066 20 30 HIEDRN C=C(C)[C@@H](NCc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccc(F)c(F)c1 ZINC000481599192 896978590 /nfs/dbraw/zinc/97/85/90/896978590.db2.gz WPMVIPTUULCHAL-HXUWFJFHSA-N 0 0 406.454 4.307 20 30 HIEDRN C=C(C)CN(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000481607225 896988040 /nfs/dbraw/zinc/98/80/40/896988040.db2.gz AEZXTCBPASYEDH-IYBDPMFKSA-N 0 0 403.523 4.147 20 30 HIEDRN C=C(C)[C@H](NCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccc(F)c(F)c1 ZINC000481610928 896993422 /nfs/dbraw/zinc/99/34/22/896993422.db2.gz CEGVILAHXVONBE-QFIPXVFZSA-N 0 0 415.484 4.292 20 30 HIEDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccc(F)c(C#N)c3)c2)cc1 ZINC000481619675 897002852 /nfs/dbraw/zinc/00/28/52/897002852.db2.gz DTNCDKXATSQXSY-UHFFFAOYSA-N 0 0 416.456 4.258 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@H](C)C[C@@H]1C(=O)Nc1cccc(C#N)c1C ZINC000481625162 897009664 /nfs/dbraw/zinc/00/96/64/897009664.db2.gz FHQLJBKYSXHBQZ-NJZPDEBBSA-N 0 0 400.482 4.286 20 30 HIEDRN N#Cc1cc(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1F ZINC000481627712 897012166 /nfs/dbraw/zinc/01/21/66/897012166.db2.gz QRNJWVBCZDHXDK-ZDUSSCGKSA-N 0 0 417.282 4.108 20 30 HIEDRN C=CCn1c(Sc2ncncc2Br)nnc1-c1ccc(Cl)cc1 ZINC000481676377 897059356 /nfs/dbraw/zinc/05/93/56/897059356.db2.gz IWDCHFMNQQXQTK-UHFFFAOYSA-N 0 0 408.712 4.488 20 30 HIEDRN CCNC(=O)N(C)c1cccc(N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000481689318 897072630 /nfs/dbraw/zinc/07/26/30/897072630.db2.gz GTYSOAXACAJOQY-IBGZPJMESA-N 0 0 421.545 4.216 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NCc3cccc4c3OCO4)cc2F)c1 ZINC000481712310 897102516 /nfs/dbraw/zinc/10/25/16/897102516.db2.gz MECQCPLNXIXLPR-UHFFFAOYSA-N 0 0 419.412 4.327 20 30 HIEDRN CN1C(=O)c2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)cc2C1=O ZINC000481737489 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Cc1ccccc1-c1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)n(C)n1 ZINC000486515936 901666676 /nfs/dbraw/zinc/66/66/76/901666676.db2.gz GMERVANZNZOXAS-UHFFFAOYSA-N 0 0 401.470 4.015 20 30 HIEDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000486516830 901668619 /nfs/dbraw/zinc/66/86/19/901668619.db2.gz KTMCWLOEMBCRHP-CQSZACIVSA-N 0 0 412.465 4.257 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000486523898 901675472 /nfs/dbraw/zinc/67/54/72/901675472.db2.gz DMJCJQUNCWWMET-OAHLLOKOSA-N 0 0 417.366 4.351 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 ZINC000505913606 914556234 /nfs/dbraw/zinc/55/62/34/914556234.db2.gz VEUHZBCTVCOBBD-CZUORRHYSA-N 0 0 421.806 4.093 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2cc(F)cc(Br)c2F)ccc1Cl ZINC000486556012 901702778 /nfs/dbraw/zinc/70/27/78/901702778.db2.gz LDXVXIFPVJYAQR-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N(CCC3CCCCC3)CC(N)=O)c2)cc1 ZINC000486566721 901712095 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CSC[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000563476535 945196673 /nfs/dbraw/zinc/19/66/73/945196673.db2.gz NOWLGPCKMYBOCF-MRXNPFEDSA-N 0 0 400.356 4.421 20 30 HIEDRN CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000538729965 938694456 /nfs/dbraw/zinc/69/44/56/938694456.db2.gz RUVLIRRCVMSTIB-UHFFFAOYSA-N 0 0 410.525 4.341 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)CCn2c(CCC)nc3ccccc32)cc1 ZINC000538746496 938699966 /nfs/dbraw/zinc/69/99/66/938699966.db2.gz APNGNUVYDQKDMG-UHFFFAOYSA-N 0 0 405.502 4.325 20 30 HIEDRN Cc1ccc(-c2noc(CCC(=O)Nc3cc(C#N)ccc3NC3CC3)n2)cc1F ZINC000538819659 938720070 /nfs/dbraw/zinc/72/00/70/938720070.db2.gz LYITYEGMVBCQMI-UHFFFAOYSA-N 0 0 405.433 4.201 20 30 HIEDRN C[C@H](Oc1ccccc1Br)C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000538819748 938720199 /nfs/dbraw/zinc/72/01/99/938720199.db2.gz SGQWJIOSJRJGKY-LBPRGKRZSA-N 0 0 400.276 4.301 20 30 HIEDRN Cc1cnc2c(cccc2S(=O)(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC000538846476 938724354 /nfs/dbraw/zinc/72/43/54/938724354.db2.gz KEECKHLOUZXTNC-MRXNPFEDSA-N 0 0 405.401 4.105 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000538856950 938726013 /nfs/dbraw/zinc/72/60/13/938726013.db2.gz CTOCMEUVHRXTAQ-FQEVSTJZSA-N 0 0 406.404 4.320 20 30 HIEDRN C=CCn1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1-c1ccncc1 ZINC000538891030 938731196 /nfs/dbraw/zinc/73/11/96/938731196.db2.gz FEUUBMSKEXJIEZ-UHFFFAOYSA-N 0 0 405.386 4.187 20 30 HIEDRN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000538901937 938733741 /nfs/dbraw/zinc/73/37/41/938733741.db2.gz DNLSUBZRCALKAF-OYHNWAKOSA-N 0 0 405.429 4.391 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000538905757 938735060 /nfs/dbraw/zinc/73/50/60/938735060.db2.gz IUUGSWSMFPQUJZ-VGSWGCGISA-N 0 0 412.873 4.072 20 30 HIEDRN C[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000538935699 938741432 /nfs/dbraw/zinc/74/14/32/938741432.db2.gz WQDLGJGBXBFSDL-MRXNPFEDSA-N 0 0 407.474 4.024 20 30 HIEDRN CCCCn1cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(C)n1 ZINC000539099940 938803014 /nfs/dbraw/zinc/80/30/14/938803014.db2.gz IMRIREGJPKDNSD-UHFFFAOYSA-N 0 0 402.498 4.372 20 30 HIEDRN COCCOc1c(Cl)cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1Cl ZINC000539139241 938809856 /nfs/dbraw/zinc/80/98/56/938809856.db2.gz JTASMQWDLYRHBH-LBPRGKRZSA-N 0 0 409.269 4.296 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156083 938813116 /nfs/dbraw/zinc/81/31/16/938813116.db2.gz RSMATDVSROQHGV-QUCCMNQESA-N 0 0 404.869 4.373 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000539156081 938813310 /nfs/dbraw/zinc/81/33/10/938813310.db2.gz RSMATDVSROQHGV-ICSRJNTNSA-N 0 0 404.869 4.373 20 30 HIEDRN Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C#N)c2ccccc2Cl)c1 ZINC000539174875 938815681 /nfs/dbraw/zinc/81/56/81/938815681.db2.gz FEGMCVNOHYGZFQ-NHCUHLMSSA-N 0 0 409.917 4.333 20 30 HIEDRN CC(C)Cc1ccc([C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C(C)C)cc1 ZINC000539174125 938815743 /nfs/dbraw/zinc/81/57/43/938815743.db2.gz YOIPQTQXGBMEBR-HXUWFJFHSA-N 0 0 423.561 4.160 20 30 HIEDRN C[C@@H](N[C@H](C)c1ccccc1OC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539247776 938825244 /nfs/dbraw/zinc/82/52/44/938825244.db2.gz NFSGXXADSFZQHG-VXGBXAGGSA-N 0 0 405.470 4.388 20 30 HIEDRN COC(=O)c1cccc(CN[C@H](COc2ccccc2F)c2ccccc2)c1C#N ZINC000539268170 938830388 /nfs/dbraw/zinc/83/03/88/938830388.db2.gz PVGWYERKDIYKEK-JOCHJYFZSA-N 0 0 404.441 4.394 20 30 HIEDRN COc1ccc(F)cc1[C@@H](C)NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000539270193 938831045 /nfs/dbraw/zinc/83/10/45/938831045.db2.gz HWJQTUVTWNHLGW-LSDHHAIUSA-N 0 0 401.507 4.375 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000539295268 938835616 /nfs/dbraw/zinc/83/56/16/938835616.db2.gz RHYDGLJWQZVYGP-UHFFFAOYSA-N 0 0 413.499 4.256 20 30 HIEDRN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccccc1 ZINC000539313056 938839279 /nfs/dbraw/zinc/83/92/79/938839279.db2.gz OCNZVTSGEQKPHM-JOCHJYFZSA-N 0 0 420.488 4.021 20 30 HIEDRN C=CC[C@@H](CO)CNC(=O)c1cccnc1SCc1ccc(Br)cc1 ZINC000539322778 938841050 /nfs/dbraw/zinc/84/10/50/938841050.db2.gz MQBVYUPPBBTBRO-OAHLLOKOSA-N 0 0 421.360 4.051 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCSC[C@H]1C#N ZINC000539330290 938842967 /nfs/dbraw/zinc/84/29/67/938842967.db2.gz PAVOFXRJUYGGOQ-GFCCVEGCSA-N 0 0 423.922 4.183 20 30 HIEDRN Cc1ccccc1-c1cc(C(=O)N2CCSC[C@H]2C#N)c2cnn(C(C)C)c2n1 ZINC000539332382 938843148 /nfs/dbraw/zinc/84/31/48/938843148.db2.gz SOLDNFRUYDBGHZ-MRXNPFEDSA-N 0 0 405.527 4.069 20 30 HIEDRN N#C[C@@H]1CSCCN1C(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000539334265 938843602 /nfs/dbraw/zinc/84/36/02/938843602.db2.gz QMONVJJNTFMDIB-OAHLLOKOSA-N 0 0 403.301 4.323 20 30 HIEDRN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000563509368 945209454 /nfs/dbraw/zinc/20/94/54/945209454.db2.gz NEYFJTBDUVDPLO-GOSISDBHSA-N 0 0 413.315 4.105 20 30 HIEDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000539430380 938859458 /nfs/dbraw/zinc/85/94/58/938859458.db2.gz WIJKEWUGRVQJSK-NYHFZMIOSA-N 0 0 408.429 4.375 20 30 HIEDRN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000539434363 938859786 /nfs/dbraw/zinc/85/97/86/938859786.db2.gz AINJSCRHDVDFSJ-QRQCRPRQSA-N 0 0 405.429 4.391 20 30 HIEDRN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000539504448 938869832 /nfs/dbraw/zinc/86/98/32/938869832.db2.gz LDFIVGKRXAQLRH-GJZGRUSLSA-N 0 0 413.934 4.086 20 30 HIEDRN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000539504449 938870146 /nfs/dbraw/zinc/87/01/46/938870146.db2.gz LDFIVGKRXAQLRH-HUUCEWRRSA-N 0 0 413.934 4.086 20 30 HIEDRN Cc1ccsc1CN(C(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(F)c(Cl)c1 ZINC000539507996 938870455 /nfs/dbraw/zinc/87/04/55/938870455.db2.gz KXYJVVQQPFJBJX-LBPRGKRZSA-N 0 0 403.870 4.107 20 30 HIEDRN O=C(Nc1nnc(CC(F)(F)F)s1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000539514011 938871715 /nfs/dbraw/zinc/87/17/15/938871715.db2.gz XCCYGOSMXWTFCZ-UHFFFAOYSA-N 0 0 419.278 4.098 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000539521947 938872875 /nfs/dbraw/zinc/87/28/75/938872875.db2.gz GMYNQZDQHJCKLA-SFHVURJKSA-N 0 0 414.571 4.102 20 30 HIEDRN CC(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539558503 938879789 /nfs/dbraw/zinc/87/97/89/938879789.db2.gz HFDPRIVVCKENBE-UTKZUKDTSA-N 0 0 424.863 4.159 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000539579805 938882660 /nfs/dbraw/zinc/88/26/60/938882660.db2.gz ALTJCAJGVGHHPD-XMMPIXPASA-N 0 0 412.489 4.221 20 30 HIEDRN Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)nn1-c1ccccc1Cl ZINC000539579866 938882689 /nfs/dbraw/zinc/88/26/89/938882689.db2.gz COMXXKJGIMVDHD-UHFFFAOYSA-N 0 0 419.916 4.058 20 30 HIEDRN N#Cc1cnc2c(F)cc(F)cc2c1N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000539611532 938887843 /nfs/dbraw/zinc/88/78/43/938887843.db2.gz JTWLCZDDINTDLF-GOSISDBHSA-N 0 0 406.436 4.030 20 30 HIEDRN Cc1nc(C(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000539700507 938906082 /nfs/dbraw/zinc/90/60/82/938906082.db2.gz DFRJCHFUIZGIKS-AZUAARDMSA-N 0 0 400.885 4.008 20 30 HIEDRN COc1cc([C@H](C)NC(=O)Nc2cc(C)n(CCC#N)n2)ccc1OCCC(C)C ZINC000539717502 938910805 /nfs/dbraw/zinc/91/08/05/938910805.db2.gz IZKATBNPRJMICR-KRWDZBQOSA-N 0 0 413.522 4.421 20 30 HIEDRN Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nn1CCC#N ZINC000539718904 938911506 /nfs/dbraw/zinc/91/15/06/938911506.db2.gz VSWKAAKEYFMYCA-MRXNPFEDSA-N 0 0 408.289 4.017 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2)CC1 ZINC000539721975 938912889 /nfs/dbraw/zinc/91/28/89/938912889.db2.gz WHFOCCBBPBTYMM-UHFFFAOYSA-N 0 0 413.443 4.219 20 30 HIEDRN COc1cc2c(cc1F)CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC2 ZINC000539736953 938917102 /nfs/dbraw/zinc/91/71/02/938917102.db2.gz FSHJACNCTDOCSD-HNNXBMFYSA-N 0 0 413.518 4.225 20 30 HIEDRN Cc1cc(C(=O)COc2ccc(C#N)cc2I)c(F)cc1F ZINC000539739404 938917564 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ZINC000542360782 939807595 /nfs/dbraw/zinc/80/75/95/939807595.db2.gz WIAWTTIEMBYGKU-UHFFFAOYSA-N 0 0 423.448 4.169 20 30 HIEDRN CCOC(=O)C[C@H](C)N(C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000542363977 939808251 /nfs/dbraw/zinc/80/82/51/939808251.db2.gz AZDHQQPKLHPMID-KRWDZBQOSA-N 0 0 409.486 4.137 20 30 HIEDRN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2noc(C)c2C#N)c1 ZINC000542378154 939810575 /nfs/dbraw/zinc/81/05/75/939810575.db2.gz MDOYCRYIVJXQHT-RDPSFJRHSA-N 0 0 401.466 4.163 20 30 HIEDRN CN1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000542410485 939816583 /nfs/dbraw/zinc/81/65/83/939816583.db2.gz OSWISUATWFTYQH-YADHBBJMSA-N 0 0 408.933 4.331 20 30 HIEDRN COc1cc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1OC ZINC000542420919 939819028 /nfs/dbraw/zinc/81/90/28/939819028.db2.gz FHXUZMCCRUFXIE-HNNXBMFYSA-N 0 0 409.486 4.019 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2ccc(OC)cc2)CC1 ZINC000542423341 939819351 /nfs/dbraw/zinc/81/93/51/939819351.db2.gz 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CCc1ccc(-c2noc([C@H](C)NCC(=O)Nc3sc(C)c(C)c3C#N)n2)cc1 ZINC000542623444 939849792 /nfs/dbraw/zinc/84/97/92/939849792.db2.gz TWEORNRFBCNGLK-ZDUSSCGKSA-N 0 0 409.515 4.138 20 30 HIEDRN C=CCN(C(=O)CSc1nc(-c2ccccc2)no1)c1nc2c(s1)CCCC2 ZINC000542662844 939852422 /nfs/dbraw/zinc/85/24/22/939852422.db2.gz LUYLLXBELMKSTQ-UHFFFAOYSA-N 0 0 412.540 4.383 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000542907797 939876013 /nfs/dbraw/zinc/87/60/13/939876013.db2.gz JSISWESPIFDJLX-LJQANCHMSA-N 0 0 418.415 4.335 20 30 HIEDRN Cc1cccc2c1ncn(CC(=O)N[C@H](C)c1ccc(-c3cccc(C#N)c3)cc1)c2=O ZINC000542928145 939879924 /nfs/dbraw/zinc/87/99/24/939879924.db2.gz OLRUQZGCTJUPQQ-GOSISDBHSA-N 0 0 422.488 4.121 20 30 HIEDRN Cc1cccc2c1ncn(CC(=O)N[C@@H](C)c1ccc(-c3cccc(C#N)c3)cc1)c2=O ZINC000542928149 939879998 /nfs/dbraw/zinc/87/99/98/939879998.db2.gz OLRUQZGCTJUPQQ-SFHVURJKSA-N 0 0 422.488 4.121 20 30 HIEDRN CCCCOc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1OC ZINC000542929244 939880291 /nfs/dbraw/zinc/88/02/91/939880291.db2.gz TUNUFCCYSARVTF-UHFFFAOYSA-N 0 0 408.433 4.323 20 30 HIEDRN Cc1csc2ncc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(=O)n12 ZINC000542930397 939880438 /nfs/dbraw/zinc/88/04/38/939880438.db2.gz OVURUUFAVPEOLM-HNNXBMFYSA-N 0 0 414.490 4.094 20 30 HIEDRN C[C@H](NC(=O)CN(C)C(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542930800 939880493 /nfs/dbraw/zinc/88/04/93/939880493.db2.gz WQGUKZDGRPAHNS-INIZCTEOSA-N 0 0 403.507 4.236 20 30 HIEDRN C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542932085 939880776 /nfs/dbraw/zinc/88/07/76/939880776.db2.gz LTXKNPFESQAJHU-KRWDZBQOSA-N 0 0 418.518 4.261 20 30 HIEDRN C[C@@H](NC(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1)c1cccc2ccccc21 ZINC000542934224 939881197 /nfs/dbraw/zinc/88/11/97/939881197.db2.gz HPRNSNFASFZLED-MRXNPFEDSA-N 0 0 413.456 4.326 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)n2)c(F)c1 ZINC000542957038 939885604 /nfs/dbraw/zinc/88/56/04/939885604.db2.gz IDFTVFWXMJRAEK-LJQANCHMSA-N 0 0 415.432 4.128 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N(C[C@H]3CCCO3)C3CCCC3)n2)c(Cl)c1 ZINC000542956943 939885637 /nfs/dbraw/zinc/88/56/37/939885637.db2.gz GOWLMOAQDUQATF-QGZVFWFLSA-N 0 0 413.909 4.353 20 30 HIEDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542958453 939885800 /nfs/dbraw/zinc/88/58/00/939885800.db2.gz BSPUMKFNLNFKMZ-JLTOFOAXSA-N 0 0 421.888 4.253 20 30 HIEDRN COc1ccccc1C(C)(C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542959894 939886152 /nfs/dbraw/zinc/88/61/52/939886152.db2.gz YCIJZAHTKHBSAQ-UHFFFAOYSA-N 0 0 409.877 4.463 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000542962244 939886617 /nfs/dbraw/zinc/88/66/17/939886617.db2.gz SCHLPMBUNNAXNW-UHFFFAOYSA-N 0 0 404.405 4.210 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ccc3ccccc3n2)n1 ZINC000542961696 939886683 /nfs/dbraw/zinc/88/66/83/939886683.db2.gz LDBFQGXQRKTVEQ-UHFFFAOYSA-N 0 0 402.845 4.267 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CCc4c5ccccc5[nH]c4C3)n2)c(Cl)c1 ZINC000542961576 939886737 /nfs/dbraw/zinc/88/67/37/939886737.db2.gz KEGQANMUWHOVBS-UHFFFAOYSA-N 0 0 416.872 4.469 20 30 HIEDRN C[C@@H](NC(=O)CSc1nnc2ccccn21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542989426 939892227 /nfs/dbraw/zinc/89/22/27/939892227.db2.gz PUANAFRZEIOBBF-MRXNPFEDSA-N 0 0 413.506 4.237 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)n2)c(F)c1 ZINC000542991369 939892545 /nfs/dbraw/zinc/89/25/45/939892545.db2.gz BJTQEWORZIWUOP-UHFFFAOYSA-N 0 0 415.428 4.499 20 30 HIEDRN C[C@H](NC(=O)C[C@H]1Oc2ccccc2NC1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542992720 939892855 /nfs/dbraw/zinc/89/28/55/939892855.db2.gz VBZDSFVSMAJPKI-QMHKHESXSA-N 0 0 411.461 4.192 20 30 HIEDRN CC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542999187 939893536 /nfs/dbraw/zinc/89/35/36/939893536.db2.gz UOLZZCLAFKJTNT-MRXNPFEDSA-N 0 0 411.461 4.244 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C2(N3CCOCC3)CCC2)cc1Cl ZINC000543004359 939894032 /nfs/dbraw/zinc/89/40/32/939894032.db2.gz PGZXHXRFPDOVTE-FQEVSTJZSA-N 0 0 409.917 4.189 20 30 HIEDRN COc1cc2cc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)[nH]c2cc1OC ZINC000543002035 939894069 /nfs/dbraw/zinc/89/40/69/939894069.db2.gz ZAZSYVVKHGRPBP-UHFFFAOYSA-N 0 0 421.844 4.148 20 30 HIEDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H](O)C(F)(F)F ZINC000543016032 939895722 /nfs/dbraw/zinc/89/57/22/939895722.db2.gz DBUSFFAUDMOZOZ-ZNZDAUKMSA-N 0 0 405.420 4.287 20 30 HIEDRN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543023399 939897357 /nfs/dbraw/zinc/89/73/57/939897357.db2.gz GHBTZVBPJJCFRL-IEBWSBKVSA-N 0 0 400.885 4.090 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563749402 945281476 /nfs/dbraw/zinc/28/14/76/945281476.db2.gz XCHISZLSDXRQOM-UHFFFAOYSA-N 0 0 407.430 4.099 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000543067674 939919638 /nfs/dbraw/zinc/91/96/38/939919638.db2.gz AIQYTKKMPZNMFS-GOEBONIOSA-N 0 0 423.307 4.049 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3OCc3cscn3)n2)c1 ZINC000543080788 939930823 /nfs/dbraw/zinc/93/08/23/939930823.db2.gz GVAJSNBIDCGFKE-UHFFFAOYSA-N 0 0 401.451 4.032 20 30 HIEDRN N#Cc1ccc(-c2ccccc2)nc1SC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543120922 939955775 /nfs/dbraw/zinc/95/57/75/939955775.db2.gz JPMDUQPUNQOIJV-KRWDZBQOSA-N 0 0 407.451 4.060 20 30 HIEDRN CC(C)N1CCc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2C1 ZINC000543131772 939963043 /nfs/dbraw/zinc/96/30/43/939963043.db2.gz UIBXHKHSJDKUMH-UHFFFAOYSA-N 0 0 422.510 4.206 20 30 HIEDRN Cc1c(Cl)cnc(NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C#N ZINC000543138986 939965949 /nfs/dbraw/zinc/96/59/49/939965949.db2.gz RZWWOCXIOOZCNU-UHFFFAOYSA-N 0 0 401.179 4.242 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000543144399 939968969 /nfs/dbraw/zinc/96/89/69/939968969.db2.gz NVMRCSDALQVXIX-IBGZPJMESA-N 0 0 411.502 4.070 20 30 HIEDRN C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2ccc(OC)cc2C1 ZINC000563755691 945286039 /nfs/dbraw/zinc/28/60/39/945286039.db2.gz PDRYYSSEZNSTAD-UHFFFAOYSA-N 0 0 404.514 4.231 20 30 HIEDRN Cc1cc(CS(=O)(=O)Cc2ccc(CC#N)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000543148930 939972934 /nfs/dbraw/zinc/97/29/34/939972934.db2.gz VLEHUPJKCSYBFQ-UHFFFAOYSA-N 0 0 411.914 4.287 20 30 HIEDRN N#CCC1CCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000543178411 939986877 /nfs/dbraw/zinc/98/68/77/939986877.db2.gz FGTSBXJRTZSWFJ-UHFFFAOYSA-N 0 0 409.361 4.293 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000543213743 939997029 /nfs/dbraw/zinc/99/70/29/939997029.db2.gz VGVZVKCBNIGUMA-CYBMUJFWSA-N 0 0 403.276 4.088 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)C(=O)NCCCC#N ZINC000543216120 939998215 /nfs/dbraw/zinc/99/82/15/939998215.db2.gz QYXXYAYBXRWVTH-UHFFFAOYSA-N 0 0 421.476 4.090 20 30 HIEDRN COc1cc(Br)ccc1CCCNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000543233160 940002943 /nfs/dbraw/zinc/00/29/43/940002943.db2.gz LZQZGEZHNMUMJN-UHFFFAOYSA-N 0 0 416.319 4.104 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C[C@H](C)c2nccs2)c1C#N ZINC000543240327 940005117 /nfs/dbraw/zinc/00/51/17/940005117.db2.gz VIUAMJRGYCZPHC-HNNXBMFYSA-N 0 0 407.543 4.096 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1 ZINC000543276938 940015517 /nfs/dbraw/zinc/01/55/17/940015517.db2.gz GCCYZCUHBCXNTF-UHFFFAOYSA-N 0 0 402.498 4.381 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)c1 ZINC000543284485 940018024 /nfs/dbraw/zinc/01/80/24/940018024.db2.gz ZFEKWLIZRGWSIR-UHFFFAOYSA-N 0 0 422.460 4.106 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2ccccc2CN2CCSCC2)C2CC2)cc1 ZINC000543331774 940033250 /nfs/dbraw/zinc/03/32/50/940033250.db2.gz FDRWZGGLRCZVMO-UHFFFAOYSA-N 0 0 406.555 4.304 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000543352586 940039312 /nfs/dbraw/zinc/03/93/12/940039312.db2.gz YNSWOJKTQMJHAN-QGZVFWFLSA-N 0 0 415.877 4.272 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc2c(c1)COC2 ZINC000543465163 940073079 /nfs/dbraw/zinc/07/30/79/940073079.db2.gz QAOZATGJNDHCHW-UHFFFAOYSA-N 0 0 404.279 4.376 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000543593777 940124063 /nfs/dbraw/zinc/12/40/63/940124063.db2.gz KBFSFUKBQJITQB-QHCPKHFHSA-N 0 0 416.477 4.204 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C#N ZINC000543607371 940129253 /nfs/dbraw/zinc/12/92/53/940129253.db2.gz UHOSWUSWFSQWKY-JXFKEZNVSA-N 0 0 411.502 4.342 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000543610127 940130018 /nfs/dbraw/zinc/13/00/18/940130018.db2.gz XECAFMWDGCMSKM-MAUKXSAKSA-N 0 0 405.376 4.341 20 30 HIEDRN N#CCCn1cc(CN2CCO[C@@H](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000543638484 940145779 /nfs/dbraw/zinc/14/57/79/940145779.db2.gz YXXNIDZSSOPQTP-DEOSSOPVSA-N 0 0 400.526 4.297 20 30 HIEDRN C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H]1c1ccccc1OC ZINC000563782968 945301420 /nfs/dbraw/zinc/30/14/20/945301420.db2.gz QUKDTISFSMFPFT-IBGZPJMESA-N 0 0 420.513 4.498 20 30 HIEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000543753411 940175732 /nfs/dbraw/zinc/17/57/32/940175732.db2.gz OUOQPRRKBCONEZ-IBGZPJMESA-N 0 0 414.941 4.022 20 30 HIEDRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[S@@](=O)CCCC1(C#N)CCOCC1 ZINC000543787217 940186909 /nfs/dbraw/zinc/18/69/09/940186909.db2.gz JKIDAKIJYJKNPN-PWFNWSNSSA-N 0 0 407.923 4.300 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)nnc1-c1ccco1 ZINC000543796277 940189519 /nfs/dbraw/zinc/18/95/19/940189519.db2.gz IBQCPTOHRSGUPZ-IERDGZPVSA-N 0 0 400.548 4.245 20 30 HIEDRN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563790894 945302649 /nfs/dbraw/zinc/30/26/49/945302649.db2.gz NPXQFLGZRMICEW-UHFFFAOYSA-N 0 0 412.352 4.015 20 30 HIEDRN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC(CC#N)CC2)cc1[N+](=O)[O-] ZINC000543839270 940205285 /nfs/dbraw/zinc/20/52/85/940205285.db2.gz SARGEPXZKGGTOL-UHFFFAOYSA-N 0 0 423.494 4.314 20 30 HIEDRN C=CCn1c(SC[C@@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O ZINC000543849498 940207626 /nfs/dbraw/zinc/20/76/26/940207626.db2.gz FLOURBOVHAYFHA-CYBMUJFWSA-N 0 0 400.450 4.472 20 30 HIEDRN Cn1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(-c2ccccc2)n1 ZINC000543855694 940211112 /nfs/dbraw/zinc/21/11/12/940211112.db2.gz KTTANZSFZRDGSD-UHFFFAOYSA-N 0 0 409.449 4.076 20 30 HIEDRN C[C@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543856439 940211674 /nfs/dbraw/zinc/21/16/74/940211674.db2.gz PMQKDQTYTJSYLA-SFHVURJKSA-N 0 0 421.504 4.441 20 30 HIEDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543859600 940212899 /nfs/dbraw/zinc/21/28/99/940212899.db2.gz NASKOBLHBKADOQ-FDDCHVKYSA-N 0 0 403.526 4.440 20 30 HIEDRN Cc1sc(=O)n(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C ZINC000543858447 940213024 /nfs/dbraw/zinc/21/30/24/940213024.db2.gz QKPMTONFDUAOLC-OAHLLOKOSA-N 0 0 405.523 4.333 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543871888 940219000 /nfs/dbraw/zinc/21/90/00/940219000.db2.gz FAAQBHYDWYGFLQ-GOSISDBHSA-N 0 0 423.822 4.242 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000543883521 940224907 /nfs/dbraw/zinc/22/49/07/940224907.db2.gz PZSZXKVNWLDDFQ-CVEARBPZSA-N 0 0 410.547 4.276 20 30 HIEDRN CC(C)(C)Oc1ccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 ZINC000543884419 940225454 /nfs/dbraw/zinc/22/54/54/940225454.db2.gz KGFHFHKRHVIQCX-UHFFFAOYSA-N 0 0 424.892 4.291 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)n2)c(Cl)c1 ZINC000543885033 940225559 /nfs/dbraw/zinc/22/55/59/940225559.db2.gz QRKBXRHSNPWSMH-MRXNPFEDSA-N 0 0 413.909 4.401 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)n2)c(Cl)c1 ZINC000543887258 940226409 /nfs/dbraw/zinc/22/64/09/940226409.db2.gz LHBWRZZYSHWQMN-FPOVZHCZSA-N 0 0 421.888 4.439 20 30 HIEDRN CCC(=O)Nc1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000543889042 940226981 /nfs/dbraw/zinc/22/69/81/940226981.db2.gz NZUAZCPSXFUAGY-UHFFFAOYSA-N 0 0 422.876 4.068 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000543888368 940227507 /nfs/dbraw/zinc/22/75/07/940227507.db2.gz KWAPTORGDKMVPP-SIKLNZKXSA-N 0 0 419.460 4.233 20 30 HIEDRN COCCC1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCC1 ZINC000543889744 940228157 /nfs/dbraw/zinc/22/81/57/940228157.db2.gz SMJRTSGJEKKAPW-UHFFFAOYSA-N 0 0 401.898 4.116 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)Nc3ccccc3O[C@H]3CCOC3)n2)c(Cl)c1 ZINC000543889762 940228280 /nfs/dbraw/zinc/22/82/80/940228280.db2.gz UDFOGMZNEURPFQ-HNNXBMFYSA-N 0 0 423.860 4.209 20 30 HIEDRN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543906639 940235924 /nfs/dbraw/zinc/23/59/24/940235924.db2.gz FRMZZRDOMLOOJX-INIZCTEOSA-N 0 0 421.478 4.314 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)n1 ZINC000543905902 940236209 /nfs/dbraw/zinc/23/62/09/940236209.db2.gz KRENQYARTPBOCT-UHFFFAOYSA-N 0 0 423.263 4.489 20 30 HIEDRN C[C@H](NC(=O)NCCCOCC1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543908269 940237919 /nfs/dbraw/zinc/23/79/19/940237919.db2.gz KVVNCHHTRUCAAH-IBGZPJMESA-N 0 0 421.541 4.419 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)n2)c(F)c1 ZINC000543917432 940244556 /nfs/dbraw/zinc/24/45/56/940244556.db2.gz BYBPOLWPPMFPDN-UHFFFAOYSA-N 0 0 406.808 4.179 20 30 HIEDRN C[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543917858 940245500 /nfs/dbraw/zinc/24/55/00/940245500.db2.gz NRPKONMAVJLLGW-ZWKOTPCHSA-N 0 0 403.526 4.487 20 30 HIEDRN COc1ccc(F)c(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543924233 940248743 /nfs/dbraw/zinc/24/87/43/940248743.db2.gz MTCNMNAQJHBLOX-OAHLLOKOSA-N 0 0 417.440 4.189 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1cc(F)c(F)cc1F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543927448 940249300 /nfs/dbraw/zinc/24/93/00/940249300.db2.gz PNSHYXDZORTGGD-ZDUSSCGKSA-N 0 0 423.394 4.458 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543927510 940249904 /nfs/dbraw/zinc/24/99/04/940249904.db2.gz 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CC[C@@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1nccs1 ZINC000544414586 940417290 /nfs/dbraw/zinc/41/72/90/940417290.db2.gz ATGZCYXDFOKGJP-LJQANCHMSA-N 0 0 419.554 4.364 20 30 HIEDRN C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000544442959 940432576 /nfs/dbraw/zinc/43/25/76/940432576.db2.gz JJGCJGJXEYOMPO-AWEZNQCLSA-N 0 0 404.857 4.350 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000544445612 940433968 /nfs/dbraw/zinc/43/39/68/940433968.db2.gz RLHFRQXOMJAVAA-UHFFFAOYSA-N 0 0 410.901 4.195 20 30 HIEDRN CCC[C@@H]1CCCCN1C(=O)COc1c(Br)cc(C#N)cc1OCC ZINC000544455366 940438133 /nfs/dbraw/zinc/43/81/33/940438133.db2.gz DISUVCJERSEOKD-OAHLLOKOSA-N 0 0 409.324 4.279 20 30 HIEDRN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000544459504 940440054 /nfs/dbraw/zinc/44/00/54/940440054.db2.gz ULKABCSLKYLXFI-NSHDSACASA-N 0 0 402.829 4.366 20 30 HIEDRN COCC[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000544474399 940447612 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20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000557120015 943024683 /nfs/dbraw/zinc/02/46/83/943024683.db2.gz BDTWOQBUQWCKDX-UHFFFAOYSA-N 0 0 421.472 4.188 20 30 HIEDRN COc1ccc2cccc(CC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2c1 ZINC000557122754 943025337 /nfs/dbraw/zinc/02/53/37/943025337.db2.gz ZBVSMEBCKGXGLL-UHFFFAOYSA-N 0 0 418.468 4.472 20 30 HIEDRN COc1ccc2nc(C)cc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2c1 ZINC000557123782 943025404 /nfs/dbraw/zinc/02/54/04/943025404.db2.gz AQOJODVOVVVDKI-UHFFFAOYSA-N 0 0 419.456 4.246 20 30 HIEDRN CC[C@@H](C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000557179248 943042353 /nfs/dbraw/zinc/04/23/53/943042353.db2.gz SGYNZAUJAHKSFX-CQSZACIVSA-N 0 0 423.904 4.100 20 30 HIEDRN Cc1c(C(=O)NC2(c3cccc(C#N)c3)CC2)cnn1-c1ccc(Br)cc1 ZINC000557204974 943050278 /nfs/dbraw/zinc/05/02/78/943050278.db2.gz CEKOCBIQUARABW-UHFFFAOYSA-N 0 0 421.298 4.234 20 30 HIEDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000557244193 943059347 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HIEDRN N#Cc1cc(NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc(N)c1[N+](=O)[O-] ZINC000557494047 943165690 /nfs/dbraw/zinc/16/56/90/943165690.db2.gz WKBFNCLLLKZFPL-KRWDZBQOSA-N 0 0 403.845 4.090 20 30 HIEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(Cc1cccs1)C(C)C ZINC000557525026 943191495 /nfs/dbraw/zinc/19/14/95/943191495.db2.gz HXZZCTFATMHBMI-UHFFFAOYSA-N 0 0 423.590 4.115 20 30 HIEDRN N#Cc1cc(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc(N)c1[N+](=O)[O-] ZINC000557565446 943212029 /nfs/dbraw/zinc/21/20/29/943212029.db2.gz JKEJLGOIWLMIHJ-CYBMUJFWSA-N 0 0 424.848 4.136 20 30 HIEDRN CC(C)(C)C(=O)NC[C@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000557567768 943213196 /nfs/dbraw/zinc/21/31/96/943213196.db2.gz LDGIQMNXGNRQKE-GFCCVEGCSA-N 0 0 412.759 4.353 20 30 HIEDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000557584784 943219881 /nfs/dbraw/zinc/21/98/81/943219881.db2.gz WNSCCYNXRDEHDX-INIZCTEOSA-N 0 0 421.394 4.081 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)C2)c(F)c1 ZINC000557584546 943220220 /nfs/dbraw/zinc/22/02/20/943220220.db2.gz TWXQDZZSVWXDCH-DYESRHJHSA-N 0 0 418.472 4.419 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(CCc2cccs2)CC1 ZINC000557584138 943220589 /nfs/dbraw/zinc/22/05/89/943220589.db2.gz WNQABXVZFCTSEA-QGZVFWFLSA-N 0 0 414.600 4.392 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000557591460 943222721 /nfs/dbraw/zinc/22/27/21/943222721.db2.gz XZCABVSMYBIZJC-UHFFFAOYSA-N 0 0 421.375 4.059 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000557610783 943230680 /nfs/dbraw/zinc/23/06/80/943230680.db2.gz GISOGRAMLADTKV-DEOSSOPVSA-N 0 0 408.546 4.064 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)COc1cccc(Br)c1 ZINC000557612403 943230750 /nfs/dbraw/zinc/23/07/50/943230750.db2.gz ZWSFHRRLBYMGNX-UHFFFAOYSA-N 0 0 406.324 4.210 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)c2c1 ZINC000557645321 943247179 /nfs/dbraw/zinc/24/71/79/943247179.db2.gz FVEYDJJRUTXCIB-GCJKJVERSA-N 0 0 411.408 4.344 20 30 HIEDRN Cn1cncc1CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000557704896 943264191 /nfs/dbraw/zinc/26/41/91/943264191.db2.gz KWXDGUHXOGEFTG-UHFFFAOYSA-N 0 0 400.360 4.284 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2N2CCOc3cc(O)ccc3C2)c1Br ZINC000557713388 943266737 /nfs/dbraw/zinc/26/67/37/943266737.db2.gz DKZCEQDRXJNRPE-UHFFFAOYSA-N 0 0 410.271 4.282 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000557713364 943266812 /nfs/dbraw/zinc/26/68/12/943266812.db2.gz CRJBRJMFWZYMMB-INIZCTEOSA-N 0 0 414.225 4.153 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1 ZINC000557719518 943268441 /nfs/dbraw/zinc/26/84/41/943268441.db2.gz FVGNLPVHNNMIHS-INIZCTEOSA-N 0 0 418.584 4.221 20 30 HIEDRN N#Cc1ccc(SCC(=O)N[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000557743060 943276011 /nfs/dbraw/zinc/27/60/11/943276011.db2.gz LNZXYNNERIGICU-HXUWFJFHSA-N 0 0 420.456 4.187 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1Br ZINC000557795236 943294324 /nfs/dbraw/zinc/29/43/24/943294324.db2.gz GOIOALIUZIMVSU-CQSZACIVSA-N 0 0 407.333 4.234 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NCC3(c4cccc(F)c4)CC3)CC2)c(F)c1 ZINC000557852572 943312669 /nfs/dbraw/zinc/31/26/69/943312669.db2.gz UJQOPUUBNISZNR-UHFFFAOYSA-N 0 0 411.452 4.121 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCn3c(cc4ccccc43)C2)cc1C(F)(F)F ZINC000557859826 943314462 /nfs/dbraw/zinc/31/44/62/943314462.db2.gz DBNGNCXOQSRXRD-UHFFFAOYSA-N 0 0 419.428 4.126 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000558018153 943356943 /nfs/dbraw/zinc/35/69/43/943356943.db2.gz SAZOGHHFEJRURW-CQSZACIVSA-N 0 0 406.404 4.054 20 30 HIEDRN N#Cc1cc(Br)ccc1CN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000558095640 943378334 /nfs/dbraw/zinc/37/83/34/943378334.db2.gz VLINQMADQSBANP-UHFFFAOYSA-N 0 0 411.278 4.204 20 30 HIEDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000558146171 943395326 /nfs/dbraw/zinc/39/53/26/943395326.db2.gz FHQVDRZOJNPVDG-HNNXBMFYSA-N 0 0 404.436 4.263 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)c1ccccc1Cl ZINC000558153916 943397826 /nfs/dbraw/zinc/39/78/26/943397826.db2.gz DOBVLXXZCYUFHZ-LDQXTDLNSA-N 0 0 424.863 4.123 20 30 HIEDRN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000558162381 943402268 /nfs/dbraw/zinc/40/22/68/943402268.db2.gz CZROZDKOLUDISW-HNNXBMFYSA-N 0 0 410.245 4.114 20 30 HIEDRN CS(=O)(=O)c1cccc([C@@H](NCc2ccc(C#N)s2)c2ccc(F)cc2F)c1 ZINC000558181058 943413693 /nfs/dbraw/zinc/41/36/93/943413693.db2.gz GNUYHGICHGEWEC-HXUWFJFHSA-N 0 0 418.490 4.181 20 30 HIEDRN C[C@@](CO)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc(O)c1 ZINC000558201812 943430207 /nfs/dbraw/zinc/43/02/07/943430207.db2.gz WQBJHAMHYKLFCW-QHCPKHFHSA-N 0 0 421.428 4.224 20 30 HIEDRN CCc1c(C(=O)N(C)CCOCc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000558308126 943496497 /nfs/dbraw/zinc/49/64/97/943496497.db2.gz WRPGCVJDIOQJMH-UHFFFAOYSA-N 0 0 422.916 4.249 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000558307522 943496735 /nfs/dbraw/zinc/49/67/35/943496735.db2.gz RFLWJCITKRDREW-UHFFFAOYSA-N 0 0 409.486 4.033 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000558320293 943505128 /nfs/dbraw/zinc/50/51/28/943505128.db2.gz IRMXEDIFKWKJHB-UHFFFAOYSA-N 0 0 422.460 4.432 20 30 HIEDRN C=CCOc1cccc(NC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000558320047 943505368 /nfs/dbraw/zinc/50/53/68/943505368.db2.gz GEAUXHQDFZLCQT-QFIPXVFZSA-N 0 0 421.541 4.387 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NCc3cnn4ccccc34)cc2F)c1 ZINC000558325454 943508354 /nfs/dbraw/zinc/50/83/54/943508354.db2.gz DSRQWNGPYBSECT-UHFFFAOYSA-N 0 0 415.428 4.246 20 30 HIEDRN COCCOc1ccc(Cl)cc1-c1noc([C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000558334297 943511913 /nfs/dbraw/zinc/51/19/13/943511913.db2.gz RMHFEPSOHMURJT-MRXNPFEDSA-N 0 0 408.845 4.137 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000558338922 943514685 /nfs/dbraw/zinc/51/46/85/943514685.db2.gz IDLTVOSORWWJKN-GUYCJALGSA-N 0 0 401.454 4.250 20 30 HIEDRN CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000558343586 943518314 /nfs/dbraw/zinc/51/83/14/943518314.db2.gz FOYANSUKDSDVTO-UHFFFAOYSA-N 0 0 422.279 4.156 20 30 HIEDRN CC[C@@](C)(NC(=O)c1ccccc1)c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000558395758 943546421 /nfs/dbraw/zinc/54/64/21/943546421.db2.gz DUFXTVDHHVPWRY-HSZRJFAPSA-N 0 0 406.461 4.461 20 30 HIEDRN CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000558395820 943546442 /nfs/dbraw/zinc/54/64/42/943546442.db2.gz FULFTXRKTDKBBH-HSZRJFAPSA-N 0 0 413.437 4.318 20 30 HIEDRN C=CCn1c(-c2ccccc2F)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000558454139 943563718 /nfs/dbraw/zinc/56/37/18/943563718.db2.gz CHYYHQWCCRYGJU-UHFFFAOYSA-N 0 0 407.493 4.270 20 30 HIEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CC=C(c2cccc(Cl)c2)CC1 ZINC000558454609 943564334 /nfs/dbraw/zinc/56/43/34/943564334.db2.gz JZPXPDPEYAVNEQ-INIZCTEOSA-N 0 0 402.926 4.135 20 30 HIEDRN N#Cc1cc(Br)cn(CCOC(c2ccccc2)c2ccccc2)c1=O ZINC000558462430 943565933 /nfs/dbraw/zinc/56/59/33/943565933.db2.gz ALKZUAYQMVTEGM-UHFFFAOYSA-N 0 0 409.283 4.289 20 30 HIEDRN Cc1cc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(N2CCCC2)n1 ZINC000558487320 943572704 /nfs/dbraw/zinc/57/27/04/943572704.db2.gz VOFRTRNKSWTLRU-UHFFFAOYSA-N 0 0 411.509 4.107 20 30 HIEDRN COC(=O)c1c(C)c(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)ccc1F ZINC000558589230 943611335 /nfs/dbraw/zinc/61/13/35/943611335.db2.gz AXCLAXKVZKPGGE-UHFFFAOYSA-N 0 0 417.868 4.241 20 30 HIEDRN CCN(CCOC)c1cccc(CNc2ccc(Oc3ccnc(C#N)c3)cc2)n1 ZINC000558593728 943611709 /nfs/dbraw/zinc/61/17/09/943611709.db2.gz VVRHQMIWTKKKPS-UHFFFAOYSA-N 0 0 403.486 4.225 20 30 HIEDRN Cc1cc(N2CCSCC2)ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558624944 943620626 /nfs/dbraw/zinc/62/06/26/943620626.db2.gz JTUPLSBMHKCBNQ-UHFFFAOYSA-N 0 0 421.570 4.033 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000558625758 943620652 /nfs/dbraw/zinc/62/06/52/943620652.db2.gz BRKHWENOMFSASI-HNNXBMFYSA-N 0 0 410.319 4.494 20 30 HIEDRN C[C@@H](NC(=O)[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1)c1cccc2ccccc21 ZINC000558628933 943621059 /nfs/dbraw/zinc/62/10/59/943621059.db2.gz IMQHRAYZUNZPQN-WOJBJXKFSA-N 0 0 412.537 4.358 20 30 HIEDRN C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCc2ccccc2)CC1 ZINC000558661934 943625685 /nfs/dbraw/zinc/62/56/85/943625685.db2.gz WASOBBJFIPPTAG-UHFFFAOYSA-N 0 0 418.497 4.045 20 30 HIEDRN C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC000558674536 943626940 /nfs/dbraw/zinc/62/69/40/943626940.db2.gz GFNOFIGDNKRJIU-UHFFFAOYSA-N 0 0 403.530 4.025 20 30 HIEDRN CCN(Cc1cccc(F)c1)C(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000558754971 943646202 /nfs/dbraw/zinc/64/62/02/943646202.db2.gz RCQUIONGQDOULS-UHFFFAOYSA-N 0 0 411.864 4.023 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)cc2)c1 ZINC000558773601 943656238 /nfs/dbraw/zinc/65/62/38/943656238.db2.gz YSYJAFPPWKUQHA-GCJKJVERSA-N 0 0 421.497 4.040 20 30 HIEDRN Cc1cc(Cl)c2ncc(C#N)c(N3CCN(Cc4noc(C(C)(C)C)n4)CC3)c2c1 ZINC000558784963 943662270 /nfs/dbraw/zinc/66/22/70/943662270.db2.gz PSJMBLZNANGHHX-UHFFFAOYSA-N 0 0 424.936 4.071 20 30 HIEDRN CCc1oc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1C(=O)OC ZINC000558807790 943671569 /nfs/dbraw/zinc/67/15/69/943671569.db2.gz LTOWNEDUEQGTFN-UHFFFAOYSA-N 0 0 404.422 4.332 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCc2ccccc2)CC1 ZINC000558826961 943681575 /nfs/dbraw/zinc/68/15/75/943681575.db2.gz QDAPLUXNIPYODQ-UHFFFAOYSA-N 0 0 401.514 4.065 20 30 HIEDRN CCCOc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CC)cc1OC ZINC000558839492 943688952 /nfs/dbraw/zinc/68/89/52/943688952.db2.gz CZRKJRPWNZHMGP-UHFFFAOYSA-N 0 0 405.502 4.270 20 30 HIEDRN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000558843742 943692400 /nfs/dbraw/zinc/69/24/00/943692400.db2.gz MVPZHYGICTWEGX-UHFFFAOYSA-N 0 0 411.509 4.207 20 30 HIEDRN C=CCn1c(SCc2nn(C)cc2Br)nnc1-c1ccc(C)cc1 ZINC000558845087 943693778 /nfs/dbraw/zinc/69/37/78/943693778.db2.gz PTSSOMHGNDRVLK-UHFFFAOYSA-N 0 0 404.337 4.228 20 30 HIEDRN COc1cc2c(cc1F)CC[C@H]2NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000558889303 943722133 /nfs/dbraw/zinc/72/21/33/943722133.db2.gz SDDASZZHUNNETG-GOSISDBHSA-N 0 0 406.379 4.191 20 30 HIEDRN N#CC1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccccc2)CC1 ZINC000558914205 943744216 /nfs/dbraw/zinc/74/42/16/943744216.db2.gz OKMPDOOSJJJFJT-UHFFFAOYSA-N 0 0 422.330 4.496 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2Cc2ccccc2)c1 ZINC000558935526 943756717 /nfs/dbraw/zinc/75/67/17/943756717.db2.gz HFRXVWRMKRXFDI-HSZRJFAPSA-N 0 0 413.525 4.260 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H](OCC4CC4)C3)n2Cc2ccccc2)cc1 ZINC000558935660 943757952 /nfs/dbraw/zinc/75/79/52/943757952.db2.gz WKGOQPPWEAAKQW-QHCPKHFHSA-N 0 0 413.525 4.260 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000558942462 943762052 /nfs/dbraw/zinc/76/20/52/943762052.db2.gz RGFRRBMOAUMNFN-UHFFFAOYSA-N 0 0 406.877 4.152 20 30 HIEDRN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ncc(C#N)cc1C ZINC000558950006 943768999 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C=CCNS(=O)(=O)c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1 ZINC000561661484 944735317 /nfs/dbraw/zinc/73/53/17/944735317.db2.gz IWRDZDZJYGXQMU-UHFFFAOYSA-N 0 0 410.282 4.175 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000561731590 944768328 /nfs/dbraw/zinc/76/83/28/944768328.db2.gz PWFVJZRQZZERPT-IBGZPJMESA-N 0 0 401.510 4.057 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000561731591 944768449 /nfs/dbraw/zinc/76/84/49/944768449.db2.gz PWFVJZRQZZERPT-LJQANCHMSA-N 0 0 401.510 4.057 20 30 HIEDRN N#Cc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c1 ZINC000561756916 944782040 /nfs/dbraw/zinc/78/20/40/944782040.db2.gz ZHJBQPQTZYENFP-UHFFFAOYSA-N 0 0 419.799 4.404 20 30 HIEDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000561780764 944795392 /nfs/dbraw/zinc/79/53/92/944795392.db2.gz YTIVEMCCRJLIMO-UHFFFAOYSA-N 0 0 420.488 4.251 20 30 HIEDRN C=CCc1cc(C(=O)Nc2cncc(Cl)c2Br)cc(OC)c1OC ZINC000561815768 944809271 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CCOC(=O)c1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC000303293183 854856451 /nfs/dbraw/zinc/85/64/51/854856451.db2.gz BFEPGHPTJKUIOX-HNNXBMFYSA-N 0 0 422.224 4.073 20 30 HIEDRN CC1(C)Cc2cccc(OCC(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2O1 ZINC000303294769 854857781 /nfs/dbraw/zinc/85/77/81/854857781.db2.gz BMKSMHRXJUNAGW-HNNXBMFYSA-N 0 0 405.281 4.467 20 30 HIEDRN Cc1nc(NC(=O)CCc2cc(Br)cs2)sc1SCC#N ZINC000303329625 854875265 /nfs/dbraw/zinc/87/52/65/854875265.db2.gz SRFUDLVJUKNLRV-UHFFFAOYSA-N 0 0 402.364 4.463 20 30 HIEDRN CCn1c(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)nnc1C1CC1 ZINC000303335387 854879012 /nfs/dbraw/zinc/87/90/12/854879012.db2.gz XJKLRMBYTFNSFW-CYBMUJFWSA-N 0 0 401.561 4.158 20 30 HIEDRN CCCO[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000303355499 854889463 /nfs/dbraw/zinc/88/94/63/854889463.db2.gz GBNNPAXZVRPGFH-QFIPXVFZSA-N 0 0 422.573 4.245 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)c2cc(Cl)cc(Br)c2)cc1 ZINC000437342335 862616740 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C=CCn1c(SCCCCC(=O)N(C)C)nnc1-c1ccc(Br)cc1 ZINC000303452129 854951378 /nfs/dbraw/zinc/95/13/78/854951378.db2.gz JTSMEPRDNFBDTM-UHFFFAOYSA-N 0 0 423.380 4.244 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000303453566 854953764 /nfs/dbraw/zinc/95/37/64/854953764.db2.gz KDITZFGENIVLCK-UHFFFAOYSA-N 0 0 413.905 4.236 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000303500968 854989554 /nfs/dbraw/zinc/98/95/54/854989554.db2.gz NCJGDWTXOBNDQP-UHFFFAOYSA-N 0 0 404.304 4.272 20 30 HIEDRN COCCc1noc(CSc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2C#N)n1 ZINC000303531916 855018532 /nfs/dbraw/zinc/01/85/32/855018532.db2.gz DZHGTVXFILIDOY-UHFFFAOYSA-N 0 0 424.404 4.405 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCCCn2cnc3ccccc32)c1 ZINC000303538870 855023702 /nfs/dbraw/zinc/02/37/02/855023702.db2.gz HLTSHBRWOSPHAJ-UHFFFAOYSA-N 0 0 410.477 4.307 20 30 HIEDRN C=CCn1c(-c2sc(NC(=O)c3sc(C)cc3OC)nc2C)n[nH]c1=S ZINC000303543872 855029235 /nfs/dbraw/zinc/02/92/35/855029235.db2.gz GMQZJNKQFREBAC-UHFFFAOYSA-N 0 0 407.546 4.189 20 30 HIEDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303557316 855039033 /nfs/dbraw/zinc/03/90/33/855039033.db2.gz JWBJUFJZMQEUQZ-UHFFFAOYSA-N 0 0 402.347 4.210 20 30 HIEDRN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CSCc1ccc(C#N)cc1 ZINC000303563920 855042773 /nfs/dbraw/zinc/04/27/73/855042773.db2.gz XTASQJGQFSNSCL-MGPUTAFESA-N 0 0 400.931 4.433 20 30 HIEDRN C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1=O ZINC000303584995 855058476 /nfs/dbraw/zinc/05/84/76/855058476.db2.gz QCNOLSMOQWMWBV-DDUZABMNSA-N 0 0 416.308 4.284 20 30 HIEDRN CSc1ccccc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000437356076 862636669 /nfs/dbraw/zinc/63/66/69/862636669.db2.gz WJQQOQVTXUJODY-UHFFFAOYSA-N 0 0 417.490 4.436 20 30 HIEDRN C=CCn1c(SCc2csc(N(C(C)=O)C3CC3)n2)nnc1-c1ccccc1 ZINC000303593935 855067406 /nfs/dbraw/zinc/06/74/06/855067406.db2.gz SWAWNSFWUVHKNK-UHFFFAOYSA-N 0 0 411.556 4.395 20 30 HIEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(COc3cccc(F)c3)c2)c1 ZINC000303602093 855071256 /nfs/dbraw/zinc/07/12/56/855071256.db2.gz XKBMVNLTPXYFTO-UHFFFAOYSA-N 0 0 416.452 4.097 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccc(-n2ccnc2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000303645137 855100434 /nfs/dbraw/zinc/10/04/34/855100434.db2.gz CGTNIPSGOUQCMO-XMMPIXPASA-N 0 0 408.461 4.446 20 30 HIEDRN C#CCN1CCN(C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 ZINC000303652633 855107058 /nfs/dbraw/zinc/10/70/58/855107058.db2.gz XITWPOGOMVJTTO-UHFFFAOYSA-N 0 0 413.477 4.057 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303667649 855119526 /nfs/dbraw/zinc/11/95/26/855119526.db2.gz IXRCYXQNQKQXKN-VIFPVBQESA-N 0 0 420.300 4.432 20 30 HIEDRN CNC(=O)c1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccc1Cl ZINC000303670398 855122016 /nfs/dbraw/zinc/12/20/16/855122016.db2.gz YMIXGHDCLKGPEW-UHFFFAOYSA-N 0 0 419.868 4.403 20 30 HIEDRN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000303685035 855131358 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/nfs/dbraw/zinc/66/18/98/862661898.db2.gz BBFCEQGSIMOTAF-UHFFFAOYSA-N 0 0 410.499 4.008 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cc(Cl)ccc2I)cc1F ZINC000308120355 855361995 /nfs/dbraw/zinc/36/19/95/855361995.db2.gz OXFLWDYIAGMZLS-UHFFFAOYSA-N 0 0 400.578 4.208 20 30 HIEDRN N#Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)c(Cl)c1 ZINC000314349727 855376076 /nfs/dbraw/zinc/37/60/76/855376076.db2.gz OABIWFUPSUMYJE-UHFFFAOYSA-N 0 0 406.088 4.428 20 30 HIEDRN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000317216245 855380591 /nfs/dbraw/zinc/38/05/91/855380591.db2.gz SHYQGKMZKAUAGR-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2Br)c(C#N)c1C ZINC000325294456 855402636 /nfs/dbraw/zinc/40/26/36/855402636.db2.gz XZPQSTJAKLYWAL-UHFFFAOYSA-N 0 0 407.289 4.428 20 30 HIEDRN N#CCCN(C(=O)c1cc(Br)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000326830694 855412187 /nfs/dbraw/zinc/41/21/87/855412187.db2.gz ICCNOIFHDXGQSG-UHFFFAOYSA-N 0 0 421.678 4.434 20 30 HIEDRN Cc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)ccc1Br ZINC000326837546 855412245 /nfs/dbraw/zinc/41/22/45/855412245.db2.gz MUMDECTVDGDISL-UHFFFAOYSA-N 0 0 401.260 4.089 20 30 HIEDRN Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1Br ZINC000327005130 855413781 /nfs/dbraw/zinc/41/37/81/855413781.db2.gz DXOOASSXGLHSKD-UHFFFAOYSA-N 0 0 401.260 4.089 20 30 HIEDRN N#CCCN(C(=O)c1ccc(Br)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000327033724 855415353 /nfs/dbraw/zinc/41/53/53/855415353.db2.gz LOEUBGBUCVZXEX-UHFFFAOYSA-N 0 0 421.678 4.434 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2cccc(F)c2F)cc1 ZINC000437374527 862678976 /nfs/dbraw/zinc/67/89/76/862678976.db2.gz PLYZSAQDDUPOCT-UHFFFAOYSA-N 0 0 423.394 4.143 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c1 ZINC000388014006 855446702 /nfs/dbraw/zinc/44/67/02/855446702.db2.gz HUAKTKAIEXJLAO-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000437376620 862680455 /nfs/dbraw/zinc/68/04/55/862680455.db2.gz VICYNDBPZSUZBF-QFBILLFUSA-N 0 0 412.367 4.433 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)c1cc(I)ccc1Br ZINC000393781751 855469115 /nfs/dbraw/zinc/46/91/15/855469115.db2.gz BTBSTTHXOZEBNV-SNVBAGLBSA-N 0 0 408.077 4.138 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)n2)c1 ZINC000409464023 855492852 /nfs/dbraw/zinc/49/28/52/855492852.db2.gz HKSHULKWBHVYIB-UHFFFAOYSA-N 0 0 407.433 4.249 20 30 HIEDRN COC(=O)c1cc(OC)ccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000409549130 855537756 /nfs/dbraw/zinc/53/77/56/855537756.db2.gz NEARAYSBNLEVHW-UHFFFAOYSA-N 0 0 416.433 4.185 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)ccc1C(F)(F)F ZINC000409576005 855548837 /nfs/dbraw/zinc/54/88/37/855548837.db2.gz LTUGAEQADXQJAL-BEFAXECRSA-N 0 0 424.444 4.023 20 30 HIEDRN C[C@@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409586459 855553914 /nfs/dbraw/zinc/55/39/14/855553914.db2.gz VDYQYOLADBATKI-CQSZACIVSA-N 0 0 405.395 4.168 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CC2)ccc1C(F)(F)F ZINC000409588514 855554647 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C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1)c1nc(C(=O)OCC)cs1 ZINC000409869088 855696751 /nfs/dbraw/zinc/69/67/51/855696751.db2.gz GUGVUYQWVZFLAF-LJISPDSOSA-N 0 0 400.500 4.359 20 30 HIEDRN CC(C)(C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1Br ZINC000409877650 855702501 /nfs/dbraw/zinc/70/25/01/855702501.db2.gz SJVKPFRDUIKDCX-LJQANCHMSA-N 0 0 413.315 4.198 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)CCc1cc(Br)cs1 ZINC000409882528 855705152 /nfs/dbraw/zinc/70/51/52/855705152.db2.gz BYSSTCFLVDTQQI-UHFFFAOYSA-N 0 0 409.374 4.364 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000437388698 862711272 /nfs/dbraw/zinc/71/12/72/862711272.db2.gz JWDOAEWLFPJBOH-LBPRGKRZSA-N 0 0 406.269 4.342 20 30 HIEDRN CCc1nc2ccccc2n1C1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409892051 855709286 /nfs/dbraw/zinc/70/92/86/855709286.db2.gz KGCPCFDYOWFSLV-UHFFFAOYSA-N 0 0 424.508 4.133 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H](CC(F)(F)F)c3ccc(F)cc3)n2)c1 ZINC000409898798 855713221 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N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 ZINC000426070484 856086103 /nfs/dbraw/zinc/08/61/03/856086103.db2.gz CTVCWAQPGCYCBC-ICSRJNTNSA-N 0 0 423.423 4.406 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCSC[C@H]3CCO)cc2Cl)cc1 ZINC000426077151 856090500 /nfs/dbraw/zinc/09/05/00/856090500.db2.gz CWIPCQZPGRYCHA-MRXNPFEDSA-N 0 0 417.918 4.336 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(Cl)c1 ZINC000426139332 856134648 /nfs/dbraw/zinc/13/46/48/856134648.db2.gz VIOHFMLASNRZSR-UHFFFAOYSA-N 0 0 408.849 4.068 20 30 HIEDRN N#Cc1ccc(NC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000426142910 856136540 /nfs/dbraw/zinc/13/65/40/856136540.db2.gz XAPKBVANQNZMDW-UHFFFAOYSA-N 0 0 423.826 4.416 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000426142758 856137010 /nfs/dbraw/zinc/13/70/10/856137010.db2.gz JHKSSZYMUARDBV-UHFFFAOYSA-N 0 0 417.296 4.245 20 30 HIEDRN COCCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000426164526 856148249 /nfs/dbraw/zinc/14/82/49/856148249.db2.gz DVHXKBYFTWLVBY-UHFFFAOYSA-N 0 0 407.495 4.273 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 ZINC000426165147 856148459 /nfs/dbraw/zinc/14/84/59/856148459.db2.gz GVXVCHMICGIXQK-UHFFFAOYSA-N 0 0 400.822 4.195 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000426164556 856148473 /nfs/dbraw/zinc/14/84/73/856148473.db2.gz YRJIZDTXWCJGDO-UHFFFAOYSA-N 0 0 413.543 4.353 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000426165866 856148633 /nfs/dbraw/zinc/14/86/33/856148633.db2.gz LMHYPYQHNNLISQ-CQSZACIVSA-N 0 0 411.811 4.203 20 30 HIEDRN Cn1cc(-c2noc(-c3cn(CCCC#N)c4ccccc34)n2)c(C(F)(F)F)n1 ZINC000426222016 856185220 /nfs/dbraw/zinc/18/52/20/856185220.db2.gz GZOPNGNCSZJJHK-UHFFFAOYSA-N 0 0 400.364 4.414 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCC[C@@H](Oc2ncccc2F)C1)c1ccc(F)c(F)c1 ZINC000426228866 856190035 /nfs/dbraw/zinc/19/00/35/856190035.db2.gz UIHCNMJCXHEHNE-BEFAXECRSA-N 0 0 405.420 4.369 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NCc1nc(-c2cccc(F)c2)no1)c1ccc(F)c(F)c1 ZINC000426230944 856190903 /nfs/dbraw/zinc/19/09/03/856190903.db2.gz OCUSVDOSAHKJAK-GOSISDBHSA-N 0 0 402.376 4.271 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000426364326 856260704 /nfs/dbraw/zinc/26/07/04/856260704.db2.gz YWLOTQWRISREQI-GMAHTHKFSA-N 0 0 402.498 4.176 20 30 HIEDRN Cc1sc(NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c(C#N)c1C ZINC000426366471 856260824 /nfs/dbraw/zinc/26/08/24/856260824.db2.gz QXSGLTKWEZXZFQ-UHFFFAOYSA-N 0 0 417.481 4.048 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC(OC)CC3)sc2C1 ZINC000426401122 856275543 /nfs/dbraw/zinc/27/55/43/856275543.db2.gz NIWSXUBCBHURDI-HNNXBMFYSA-N 0 0 403.592 4.210 20 30 HIEDRN CCCCC1CCC(c2cc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)n[nH]2)CC1 ZINC000426449008 856295968 /nfs/dbraw/zinc/29/59/68/856295968.db2.gz RZCYFXWYKGBVOA-UHFFFAOYSA-N 0 0 411.481 4.462 20 30 HIEDRN CN(Cc1cccc2[nH]ccc21)C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000426487886 856317133 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COc1cc(OC)cc(-c2cccc(NC(=O)[C@H](C#N)CCc3ccccc3)n2)c1 ZINC000428632407 857284018 /nfs/dbraw/zinc/28/40/18/857284018.db2.gz STWWLAMVSPUPRT-SFHVURJKSA-N 0 0 401.466 4.477 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2cccc(Oc3cccnn3)c2)c1-c1ccccc1 ZINC000428639176 857285625 /nfs/dbraw/zinc/28/56/25/857285625.db2.gz HJYJFCOCTUCZBK-UHFFFAOYSA-N 0 0 410.437 4.298 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1-c1ccccc1 ZINC000428705636 857303487 /nfs/dbraw/zinc/30/34/87/857303487.db2.gz GOBHAQFUQCEEDG-UHFFFAOYSA-N 0 0 423.480 4.379 20 30 HIEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000428764190 857324458 /nfs/dbraw/zinc/32/44/58/857324458.db2.gz FIMZNVPRWRSNIQ-UHFFFAOYSA-N 0 0 408.502 4.101 20 30 HIEDRN COCCn1ccc2ccc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cc21 ZINC000428804400 857350947 /nfs/dbraw/zinc/35/09/47/857350947.db2.gz TYVSVJFAAVKHCE-UHFFFAOYSA-N 0 0 413.481 4.317 20 30 HIEDRN C=CCN(CCC#N)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000428860033 857375143 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ZINC000429060610 857485789 /nfs/dbraw/zinc/48/57/89/857485789.db2.gz BDOQGXIOUMIPRH-UHFFFAOYSA-N 0 0 419.460 4.411 20 30 HIEDRN N#CCCN(CC1CC1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000429062272 857486792 /nfs/dbraw/zinc/48/67/92/857486792.db2.gz IHWHPYYXTLOTHR-UHFFFAOYSA-N 0 0 419.312 4.361 20 30 HIEDRN C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000429066692 857491118 /nfs/dbraw/zinc/49/11/18/857491118.db2.gz VQMLLWJRLYUDSB-INIZCTEOSA-N 0 0 404.445 4.424 20 30 HIEDRN CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000429104278 857511121 /nfs/dbraw/zinc/51/11/21/857511121.db2.gz FLVGHGRFIVULJK-UHFFFAOYSA-N 0 0 402.857 4.177 20 30 HIEDRN N#Cc1cc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)ccc1OCC(F)(F)F ZINC000429110040 857513541 /nfs/dbraw/zinc/51/35/41/857513541.db2.gz PGGFQRMYJKOMPB-QGZVFWFLSA-N 0 0 411.424 4.455 20 30 HIEDRN N#Cc1ccc(CN(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C2CC2)cc1 ZINC000429152293 857533254 /nfs/dbraw/zinc/53/32/54/857533254.db2.gz ACXUKQHIUQCGDR-ZCYQVOJMSA-N 0 0 421.516 4.145 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](N2CC[C@H](Sc3cccc(Cl)c3)C2)C1=O ZINC000429157966 857535345 /nfs/dbraw/zinc/53/53/45/857535345.db2.gz WPQQHMZQVGDQHW-IRXDYDNUSA-N 0 0 403.960 4.245 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429172543 857540881 /nfs/dbraw/zinc/54/08/81/857540881.db2.gz RIIWBNHQOLXSQO-UKILVPOCSA-N 0 0 423.532 4.391 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000429176923 857542850 /nfs/dbraw/zinc/54/28/50/857542850.db2.gz ZBRPFNGJWUWWEQ-UHFFFAOYSA-N 0 0 424.476 4.044 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429246885 857572482 /nfs/dbraw/zinc/57/24/82/857572482.db2.gz UNOCHNIIAWSPGR-HNNXBMFYSA-N 0 0 412.515 4.310 20 30 HIEDRN Cc1nc(SCC(=O)N2CCC(c3ncccc3Cl)CC2)c(C#N)c(C)c1C ZINC000429260667 857579700 /nfs/dbraw/zinc/57/97/00/857579700.db2.gz XSBFCXQGIOKNHY-UHFFFAOYSA-N 0 0 414.962 4.425 20 30 HIEDRN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000429448851 857674553 /nfs/dbraw/zinc/67/45/53/857674553.db2.gz HFDYKSGEMJJQOY-GQNJESKTSA-N 0 0 422.916 4.126 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(COc4cccc(C#N)c4)c3)nc21 ZINC000429564020 857752509 /nfs/dbraw/zinc/75/25/09/857752509.db2.gz DPWZANXIMVGORG-FQEVSTJZSA-N 0 0 407.433 4.207 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)nc21 ZINC000429582192 857767215 /nfs/dbraw/zinc/76/72/15/857767215.db2.gz ZZDOVVDASHZWBG-ZDUSSCGKSA-N 0 0 411.252 4.249 20 30 HIEDRN Cc1nc(COc2cccc(C(=O)[C@H](C#N)c3nc4c(nccc4C)[nH]3)c2)cs1 ZINC000429585936 857770364 /nfs/dbraw/zinc/77/03/64/857770364.db2.gz AQAQCWYBNADAEZ-KRWDZBQOSA-N 0 0 403.467 4.100 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(Cl)c1 ZINC000429626491 857805419 /nfs/dbraw/zinc/80/54/19/857805419.db2.gz XWFYNVUYTXAQJJ-CTNGQTDRSA-N 0 0 401.869 4.246 20 30 HIEDRN CCOc1cc2c(cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)OCCO2 ZINC000429645740 857816161 /nfs/dbraw/zinc/81/61/61/857816161.db2.gz WMTKDOHBJRYTKD-HKUYNNGSSA-N 0 0 407.470 4.160 20 30 HIEDRN COc1c(C)cc(CN(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1C ZINC000429660694 857824125 /nfs/dbraw/zinc/82/41/25/857824125.db2.gz OAVALRAPCVLKQC-UHFFFAOYSA-N 0 0 402.498 4.361 20 30 HIEDRN N#C[C@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000429682629 857833490 /nfs/dbraw/zinc/83/34/90/857833490.db2.gz ZKGWOUWCJFOCDK-SNVBAGLBSA-N 0 0 406.389 4.113 20 30 HIEDRN N#CCCn1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1-c1ccccc1 ZINC000429725536 857851133 /nfs/dbraw/zinc/85/11/33/857851133.db2.gz SLTCJRSPGNMSPU-HSZRJFAPSA-N 0 0 413.525 4.031 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000429735259 857858065 /nfs/dbraw/zinc/85/80/65/857858065.db2.gz LFEUTLDMLVENLH-FQEVSTJZSA-N 0 0 413.477 4.440 20 30 HIEDRN Cc1noc(C[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2)n1 ZINC000429763491 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CC1(C)CCCN(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)[C@H]1C#N ZINC000434444445 860355215 /nfs/dbraw/zinc/35/52/15/860355215.db2.gz JFEZIUVJRNXNEP-SFHVURJKSA-N 0 0 401.869 4.283 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1C ZINC000434467875 860363366 /nfs/dbraw/zinc/36/33/66/860363366.db2.gz AEXZODKLBXPSHU-UGKGYDQZSA-N 0 0 408.546 4.142 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC4(CC4)c4ccccc43)c2)c1 ZINC000434539388 860391593 /nfs/dbraw/zinc/39/15/93/860391593.db2.gz GJBWFRZYZREKAH-UHFFFAOYSA-N 0 0 423.472 4.154 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CC3(CC3)c3ccccc32)ccc1Oc1ccccc1 ZINC000434538872 860391652 /nfs/dbraw/zinc/39/16/52/860391652.db2.gz UKUWOPDGAUNDOW-UHFFFAOYSA-N 0 0 409.445 4.367 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCc3c2cccc3-c2ccccc2)ccc1Cl ZINC000434604131 860423286 /nfs/dbraw/zinc/42/32/86/860423286.db2.gz AFWFNVIRSUWADD-UHFFFAOYSA-N 0 0 401.853 4.406 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000434616503 860431499 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20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434824729 860508347 /nfs/dbraw/zinc/50/83/47/860508347.db2.gz DAKCWABCSPPOJU-UHFFFAOYSA-N 0 0 410.905 4.023 20 30 HIEDRN CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)sc2C1 ZINC000434826103 860509513 /nfs/dbraw/zinc/50/95/13/860509513.db2.gz LIIMDJDUNWWTSN-WBVHZDCISA-N 0 0 410.543 4.148 20 30 HIEDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434843029 860517814 /nfs/dbraw/zinc/51/78/14/860517814.db2.gz NCVKAURYPNNBDE-ZDUSSCGKSA-N 0 0 420.435 4.292 20 30 HIEDRN CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434851839 860522905 /nfs/dbraw/zinc/52/29/05/860522905.db2.gz DULRWPRJHTUULB-UHFFFAOYSA-N 0 0 418.900 4.285 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2cccc(NC(=O)c3cccs3)c2)C1=O ZINC000434856296 860524326 /nfs/dbraw/zinc/52/43/26/860524326.db2.gz BIWNSTWLXYJWMO-INIZCTEOSA-N 0 0 408.508 4.151 20 30 HIEDRN CN(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Cl)c1 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860592561 /nfs/dbraw/zinc/59/25/61/860592561.db2.gz DGYNAYCPLLQAHC-HNNXBMFYSA-N 0 0 404.580 4.021 20 30 HIEDRN O=C(NCC#Cc1ccccc1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000435039062 860610424 /nfs/dbraw/zinc/61/04/24/860610424.db2.gz ZWYUUYJUGKQMRJ-UHFFFAOYSA-N 0 0 401.249 4.342 20 30 HIEDRN CCc1ccc([C@H]2CCCCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 ZINC000435049817 860615319 /nfs/dbraw/zinc/61/53/19/860615319.db2.gz SDXHQDZLUWNEPY-GOSISDBHSA-N 0 0 410.518 4.353 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000435054025 860616979 /nfs/dbraw/zinc/61/69/79/860616979.db2.gz ZRLBVTZTDYZKRW-UHFFFAOYSA-N 0 0 408.502 4.151 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)C3(c4cccc(C#N)c4)CC3)c2)c1 ZINC000435058520 860620017 /nfs/dbraw/zinc/62/00/17/860620017.db2.gz FCXQKFHUWNZQHT-UHFFFAOYSA-N 0 0 406.445 4.353 20 30 HIEDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)c2)cc1 ZINC000435059216 860621100 /nfs/dbraw/zinc/62/11/00/860621100.db2.gz XAUWNCXPGRKSSI-UHFFFAOYSA-N 0 0 409.489 4.467 20 30 HIEDRN C=CCN(C(=O)c1cc(C(C)C)n(-c2ccccc2)n1)c1nc(C(=O)OCC)cs1 ZINC000435064122 860624400 /nfs/dbraw/zinc/62/44/00/860624400.db2.gz MLPXXWLSFRSMNK-UHFFFAOYSA-N 0 0 424.526 4.462 20 30 HIEDRN COCCOc1cccc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000435065343 860624956 /nfs/dbraw/zinc/62/49/56/860624956.db2.gz JYRGRBMHUCJKQK-UHFFFAOYSA-N 0 0 416.477 4.344 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000435086656 860636081 /nfs/dbraw/zinc/63/60/81/860636081.db2.gz VIJLNGUWVSFSNW-UHFFFAOYSA-N 0 0 424.520 4.206 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000435108818 860644936 /nfs/dbraw/zinc/64/49/36/860644936.db2.gz OZUYURURBXRYNE-QFIPXVFZSA-N 0 0 409.505 4.391 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000435109499 860645678 /nfs/dbraw/zinc/64/56/78/860645678.db2.gz SLBCVKXRRKYBHH-QHCPKHFHSA-N 0 0 423.532 4.320 20 30 HIEDRN COc1ccc(-c2cc3ncn(Cc4cc(C#N)ccc4OC)c(=O)c3s2)cc1 ZINC000435129676 860654592 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N#Cc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)C2CC2)cc1C(F)(F)F ZINC000435165373 860672980 /nfs/dbraw/zinc/67/29/80/860672980.db2.gz NZOVENWHRJHGEJ-UHFFFAOYSA-N 0 0 412.408 4.112 20 30 HIEDRN CC(C)n1cc2cc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc2n1 ZINC000435168864 860674699 /nfs/dbraw/zinc/67/46/99/860674699.db2.gz PCVOXRIDHJGEIA-UHFFFAOYSA-N 0 0 408.405 4.308 20 30 HIEDRN Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1I ZINC000435172461 860677117 /nfs/dbraw/zinc/67/71/17/860677117.db2.gz WRWIPPFZXVVOJI-UHFFFAOYSA-N 0 0 402.235 4.142 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)Nc1cnn(-c2cc(F)c(OC)cc2F)c1CCC ZINC000435177961 860680384 /nfs/dbraw/zinc/68/03/84/860680384.db2.gz PZWRBMJCUZXUGU-OAQYLSRUSA-N 0 0 407.461 4.279 20 30 HIEDRN C=CCC[C@H](NC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1)c1ccccc1 ZINC000435286292 860718731 /nfs/dbraw/zinc/71/87/31/860718731.db2.gz CPLJCBNNRSDAGN-NRFANRHFSA-N 0 0 405.498 4.445 20 30 HIEDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000435294982 860724272 /nfs/dbraw/zinc/72/42/72/860724272.db2.gz NNLZYXSWSUFOMY-NRFANRHFSA-N 0 0 411.477 4.302 20 30 HIEDRN C=CCC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O)c1ccccc1 ZINC000435295075 860724337 /nfs/dbraw/zinc/72/43/37/860724337.db2.gz BDAIMXOZMVJHQE-RTWAWAEBSA-N 0 0 405.498 4.024 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000435312909 860731326 /nfs/dbraw/zinc/73/13/26/860731326.db2.gz CZOYJDGLOJEQQB-SFHVURJKSA-N 0 0 412.921 4.460 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000435312908 860731428 /nfs/dbraw/zinc/73/14/28/860731428.db2.gz CZOYJDGLOJEQQB-GOSISDBHSA-N 0 0 412.921 4.460 20 30 HIEDRN N#Cc1cccc(C2(C(=O)NCCc3cc(Cl)ccc3Br)CC2)c1 ZINC000435340876 860749232 /nfs/dbraw/zinc/74/92/32/860749232.db2.gz OJHYAUPCSIHWJD-UHFFFAOYSA-N 0 0 403.707 4.365 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435354465 860755568 /nfs/dbraw/zinc/75/55/68/860755568.db2.gz QNMCRIDMZBWWKL-JSGCOSHPSA-N 0 0 409.433 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MIMQKXINTWFLEZ-UHFFFAOYSA-N 0 0 419.506 4.053 20 30 HIEDRN N#Cc1ccc(CNC(=O)CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000467765689 881583951 /nfs/dbraw/zinc/58/39/51/881583951.db2.gz AYRYZJZWPSMWCL-QHCPKHFHSA-N 0 0 407.876 4.346 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1C#N ZINC000435532257 860847124 /nfs/dbraw/zinc/84/71/24/860847124.db2.gz DNPRFJJQKYONDM-FQEVSTJZSA-N 0 0 413.905 4.451 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1C#N ZINC000435534755 860849399 /nfs/dbraw/zinc/84/93/99/860849399.db2.gz AIPPRGQBUSDLHG-UHFFFAOYSA-N 0 0 405.498 4.127 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc3ccccc32)cc1C#N ZINC000435534410 860849481 /nfs/dbraw/zinc/84/94/81/860849481.db2.gz MZBQRVROGMZCDR-INIZCTEOSA-N 0 0 401.466 4.315 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1C#N ZINC000435533768 860849573 /nfs/dbraw/zinc/84/95/73/860849573.db2.gz XDPOHYCBZAKCHJ-UHFFFAOYSA-N 0 0 413.477 4.190 20 30 HIEDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435537313 860850616 /nfs/dbraw/zinc/85/06/16/860850616.db2.gz OWDYKFXCTQVFJJ-UHFFFAOYSA-N 0 0 414.893 4.458 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1C#N ZINC000435552587 860868113 /nfs/dbraw/zinc/86/81/13/860868113.db2.gz UFMHVDHTJXAATO-QGZVFWFLSA-N 0 0 406.486 4.228 20 30 HIEDRN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NCc2ccc(F)c(C#N)c2)c1 ZINC000467772580 881591655 /nfs/dbraw/zinc/59/16/55/881591655.db2.gz QJXNCFDLXOHBQW-UHFFFAOYSA-N 0 0 419.522 4.127 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl ZINC000435594714 860901218 /nfs/dbraw/zinc/90/12/18/860901218.db2.gz SDPMXCCONCXYTE-PXAZEXFGSA-N 0 0 413.827 4.298 20 30 HIEDRN COC(=O)C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000435595465 860903002 /nfs/dbraw/zinc/90/30/02/860903002.db2.gz DTGXKZVZYPTNRE-LJQANCHMSA-N 0 0 407.470 4.005 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)c1ccccc1 ZINC000435605365 860909052 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CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000439591670 864913384 /nfs/dbraw/zinc/91/33/84/864913384.db2.gz JUMKOGWPUHBTSJ-UHFFFAOYSA-N 0 0 419.831 4.008 20 30 HIEDRN Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000439592362 864915928 /nfs/dbraw/zinc/91/59/28/864915928.db2.gz KFTIHJOAERGXHQ-UHFFFAOYSA-N 0 0 423.561 4.205 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000439603193 864925207 /nfs/dbraw/zinc/92/52/07/864925207.db2.gz JQJRLXCIWQNCNQ-UHFFFAOYSA-N 0 0 418.497 4.468 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000439602930 864926283 /nfs/dbraw/zinc/92/62/83/864926283.db2.gz IJVHJBZGLDNZSK-UHFFFAOYSA-N 0 0 414.731 4.219 20 30 HIEDRN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000439606357 864928759 /nfs/dbraw/zinc/92/87/59/864928759.db2.gz IDDRSCFXISJEAN-UHFFFAOYSA-N 0 0 423.561 4.205 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3cc(F)c(Br)cc3Cl)C2)cc1 ZINC000439619823 864944946 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HIEDRN C=C[C@@](C)(CC)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000467964361 881824423 /nfs/dbraw/zinc/82/44/23/881824423.db2.gz JKJIVBRKKNUNKZ-SFHVURJKSA-N 0 0 413.299 4.263 20 30 HIEDRN C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000439670781 865002812 /nfs/dbraw/zinc/00/28/12/865002812.db2.gz IFLQQTIYWYPTIR-CQSZACIVSA-N 0 0 418.428 4.028 20 30 HIEDRN N#CCC[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1 ZINC000439670529 865002851 /nfs/dbraw/zinc/00/28/51/865002851.db2.gz FRAAKUWKUWTVGC-KRWDZBQOSA-N 0 0 401.495 4.321 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000439671130 865003592 /nfs/dbraw/zinc/00/35/92/865003592.db2.gz GWHTXCRTZUGDHV-OAQYLSRUSA-N 0 0 419.533 4.339 20 30 HIEDRN CCCc1c(NC(=O)NCc2ccc(COC)cc2)cnn1-c1cccc(C#N)c1 ZINC000439672650 865004542 /nfs/dbraw/zinc/00/45/42/865004542.db2.gz SAMQFCSFHASZHT-UHFFFAOYSA-N 0 0 403.486 4.165 20 30 HIEDRN CCCc1c(NC(=O)NCCCNc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439679431 865015100 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N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000439838036 865151417 /nfs/dbraw/zinc/15/14/17/865151417.db2.gz AXJXPKUSAUQDSC-QGZVFWFLSA-N 0 0 416.465 4.005 20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)c1ccccc1 ZINC000439882024 865193796 /nfs/dbraw/zinc/19/37/96/865193796.db2.gz ZDAKZOUXEVSGDM-VXKWHMMOSA-N 0 0 407.514 4.434 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000439890766 865202917 /nfs/dbraw/zinc/20/29/17/865202917.db2.gz BLOHZYMIPNXPAH-UHFFFAOYSA-N 0 0 411.893 4.185 20 30 HIEDRN CN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccc(C#N)cc1 ZINC000439944763 865240479 /nfs/dbraw/zinc/24/04/79/865240479.db2.gz QORQLIMMCSFSGD-UHFFFAOYSA-N 0 0 403.442 4.283 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1NC(=O)C(C)(C)C ZINC000439979562 865279873 /nfs/dbraw/zinc/27/98/73/865279873.db2.gz UFRHOXOVBKSICL-UHFFFAOYSA-N 0 0 412.877 4.082 20 30 HIEDRN CCOc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C(C)C)cc1 ZINC000440033462 865317727 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CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000441004107 866076414 /nfs/dbraw/zinc/07/64/14/866076414.db2.gz ZGEZTGLEUFIKKN-UHFFFAOYSA-N 0 0 404.352 4.452 20 30 HIEDRN N#CC1CCC(CNC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000441015968 866083414 /nfs/dbraw/zinc/08/34/14/866083414.db2.gz ZPOGDZAHGUQUOF-UHFFFAOYSA-N 0 0 420.916 4.169 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000441019904 866086010 /nfs/dbraw/zinc/08/60/10/866086010.db2.gz YOUDZAUSGRUWSR-UHFFFAOYSA-N 0 0 423.394 4.163 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441033233 866096620 /nfs/dbraw/zinc/09/66/20/866096620.db2.gz MNRPHALVWLIFIR-LLGFUMIMSA-N 0 0 409.555 4.343 20 30 HIEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441059494 866140084 /nfs/dbraw/zinc/14/00/84/866140084.db2.gz HBHAZUALLYKHSE-UONOGXRCSA-N 0 0 414.497 4.072 20 30 HIEDRN N#C[C@@H]1N(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CCC[C@]12CCCCO2 ZINC000468116852 881945674 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ZINC000441327818 866398897 /nfs/dbraw/zinc/39/88/97/866398897.db2.gz HDFZBGNCKXIJFX-INIZCTEOSA-N 0 0 407.905 4.140 20 30 HIEDRN Cc1ccc(CCN(CC(=O)N(CCC#N)c2ccccc2)CC(F)(F)F)cc1 ZINC000441343451 866415594 /nfs/dbraw/zinc/41/55/94/866415594.db2.gz GNAZWCDWYRWRJQ-UHFFFAOYSA-N 0 0 403.448 4.349 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1 ZINC000441398446 866471673 /nfs/dbraw/zinc/47/16/73/866471673.db2.gz YEUGXIITFAYPPR-GOSISDBHSA-N 0 0 421.541 4.004 20 30 HIEDRN COCc1c(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)sc2cccc(F)c21 ZINC000468134464 881981597 /nfs/dbraw/zinc/98/15/97/881981597.db2.gz XCGUAJRCCKVNAE-UTKZUKDTSA-N 0 0 402.491 4.254 20 30 HIEDRN CCN(C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1)C(=O)c1ccc(C#N)cc1 ZINC000441472795 866550483 /nfs/dbraw/zinc/55/04/83/866550483.db2.gz XZLLGRPSDNFNFQ-XMMPIXPASA-N 0 0 422.488 4.063 20 30 HIEDRN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3c3nc(-c4ccccc4)no3)o2)c1 ZINC000441492146 866576386 /nfs/dbraw/zinc/57/63/86/866576386.db2.gz PZPXMLUQBPSLMS-LJQANCHMSA-N 0 0 412.453 4.385 20 30 HIEDRN C=CCC[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000441548895 866625360 /nfs/dbraw/zinc/62/53/60/866625360.db2.gz CKESAURYMRROFN-KRWDZBQOSA-N 0 0 415.415 4.239 20 30 HIEDRN CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000441561810 866638313 /nfs/dbraw/zinc/63/83/13/866638313.db2.gz AMDSCMGSBWOEHA-GOSISDBHSA-N 0 0 403.404 4.419 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c1C#N ZINC000441566045 866645732 /nfs/dbraw/zinc/64/57/32/866645732.db2.gz BPDUTZFJRBNLSN-XSTIVXOKSA-N 0 0 421.500 4.219 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)cc1C#N ZINC000441572464 866656701 /nfs/dbraw/zinc/65/67/01/866656701.db2.gz NWJHZICZOMMCSE-OPAMFIHVSA-N 0 0 405.498 4.114 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccc1F ZINC000441576305 866660850 /nfs/dbraw/zinc/66/08/50/866660850.db2.gz QQXHLJCEQXZRML-UHFFFAOYSA-N 0 0 421.403 4.192 20 30 HIEDRN C=CCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000441585633 866675534 /nfs/dbraw/zinc/67/55/34/866675534.db2.gz CIUBEZKKPRCESE-MJGOQNOKSA-N 0 0 408.464 4.478 20 30 HIEDRN Cc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000441588499 866678749 /nfs/dbraw/zinc/67/87/49/866678749.db2.gz JTGCVOVZHCZYMZ-UHFFFAOYSA-N 0 0 403.413 4.053 20 30 HIEDRN C=CCC[C@@H](NC(=O)CNC(=O)c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000441591445 866681976 /nfs/dbraw/zinc/68/19/76/866681976.db2.gz PVXHKKAYSIZDGM-LJQANCHMSA-N 0 0 420.431 4.268 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000441625916 866725712 /nfs/dbraw/zinc/72/57/12/866725712.db2.gz WNYWPMXQTRDCGQ-UHFFFAOYSA-N 0 0 402.491 4.362 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000441636758 866739475 /nfs/dbraw/zinc/73/94/75/866739475.db2.gz OKTXUOJZEZATHJ-QGZVFWFLSA-N 0 0 408.845 4.045 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)ccc1Cl ZINC000441643320 866751862 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HIEDRN Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000441893856 866958915 /nfs/dbraw/zinc/95/89/15/866958915.db2.gz DYGTVOPUDNNQGZ-SFHVURJKSA-N 0 0 415.415 4.058 20 30 HIEDRN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)N(C[C@H](C)C#N)C1CC1 ZINC000441931744 866995566 /nfs/dbraw/zinc/99/55/66/866995566.db2.gz XMTQYVYOBITKQS-SJLPKXTDSA-N 0 0 405.498 4.224 20 30 HIEDRN C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)[C@H]1C ZINC000441941627 867006102 /nfs/dbraw/zinc/00/61/02/867006102.db2.gz LHQCVDCLEPIORG-OLZOCXBDSA-N 0 0 413.465 4.297 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000441954404 867018801 /nfs/dbraw/zinc/01/88/01/867018801.db2.gz YZFFPZWDJDXFHW-UHFFFAOYSA-N 0 0 406.486 4.078 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N(CC(F)F)CC3CCC3)c2)cc1 ZINC000441993876 867049105 /nfs/dbraw/zinc/04/91/05/867049105.db2.gz BJQVQJZAYXEXPK-UHFFFAOYSA-N 0 0 413.424 4.183 20 30 HIEDRN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000441995715 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ZINC000442169719 867191928 /nfs/dbraw/zinc/19/19/28/867191928.db2.gz KPWKQVAFNIMIHJ-UHFFFAOYSA-N 0 0 419.525 4.309 20 30 HIEDRN N#Cc1cc(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)ccc1OC(F)(F)F ZINC000442182439 867205625 /nfs/dbraw/zinc/20/56/25/867205625.db2.gz HLHRIEIJJYOAAJ-CQSZACIVSA-N 0 0 415.437 4.023 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000442191538 867214226 /nfs/dbraw/zinc/21/42/26/867214226.db2.gz DACKCTZHMSTZOA-RTWAWAEBSA-N 0 0 405.498 4.336 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cc(Cl)cc(F)c3F)C2)c(F)c1 ZINC000442196760 867218483 /nfs/dbraw/zinc/21/84/83/867218483.db2.gz UKMRLQOQXQSAIP-ZDUSSCGKSA-N 0 0 408.811 4.419 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000442203386 867225854 /nfs/dbraw/zinc/22/58/54/867225854.db2.gz CEFOULMRGLGFPU-UHFFFAOYSA-N 0 0 421.419 4.003 20 30 HIEDRN N#Cc1cc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)ccc1OC(F)(F)F ZINC000442205116 867227452 /nfs/dbraw/zinc/22/74/52/867227452.db2.gz HDFBCAKFDVKGRS-SFHVURJKSA-N 0 0 419.403 4.262 20 30 HIEDRN COCCCOc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442213716 867235784 /nfs/dbraw/zinc/23/57/84/867235784.db2.gz HPNSZXFLYNMHOY-UHFFFAOYSA-N 0 0 423.391 4.194 20 30 HIEDRN C=CCCN(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000468189551 882065531 /nfs/dbraw/zinc/06/55/31/882065531.db2.gz ZTSCASGHAQCCHN-UHFFFAOYSA-N 0 0 402.907 4.307 20 30 HIEDRN CCc1c(NC(=O)CCCOc2ccc(C#N)cc2OC)cnn1-c1ccccc1 ZINC000468191832 882068941 /nfs/dbraw/zinc/06/89/41/882068941.db2.gz KKAQFEQFHHMZQO-UHFFFAOYSA-N 0 0 404.470 4.113 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCN(CCOCC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442287668 867308416 /nfs/dbraw/zinc/30/84/16/867308416.db2.gz BOVOFCOMMWJSRJ-IBGZPJMESA-N 0 0 413.484 4.076 20 30 HIEDRN CC[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000442286933 867309007 /nfs/dbraw/zinc/30/90/07/867309007.db2.gz VAKFFBDEPWHNHR-KXBFYZLASA-N 0 0 409.461 4.004 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000442290812 867310505 /nfs/dbraw/zinc/31/05/05/867310505.db2.gz BNKXLCADJSNVIX-GCJKJVERSA-N 0 0 403.482 4.389 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000442306889 867316828 /nfs/dbraw/zinc/31/68/28/867316828.db2.gz MAOSIJLZYYRXDL-FXAWDEMLSA-N 0 0 419.481 4.089 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)c(Cl)c1 ZINC000442313711 867320778 /nfs/dbraw/zinc/32/07/78/867320778.db2.gz LAPKAPVMENEIJK-SFHVURJKSA-N 0 0 403.816 4.182 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC(C)(C)c2c(F)cccc2Cl)cc1 ZINC000442329663 867329734 /nfs/dbraw/zinc/32/97/34/867329734.db2.gz HMXXCLVZAPUFEE-UHFFFAOYSA-N 0 0 415.896 4.313 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1OCC1CCCCC1 ZINC000442335393 867333216 /nfs/dbraw/zinc/33/32/16/867333216.db2.gz OPOLWLHWVDLXBV-UHFFFAOYSA-N 0 0 423.488 4.220 20 30 HIEDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000442367869 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C[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1cccs1 ZINC000442543719 867519004 /nfs/dbraw/zinc/51/90/04/867519004.db2.gz GDSOBSMQDHAWCK-CABCVRRESA-N 0 0 401.557 4.076 20 30 HIEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000442629787 867571334 /nfs/dbraw/zinc/57/13/34/867571334.db2.gz VZWWZBPEUNVSEJ-INIZCTEOSA-N 0 0 403.404 4.366 20 30 HIEDRN CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C1 ZINC000442638303 867581850 /nfs/dbraw/zinc/58/18/50/867581850.db2.gz RPPOZABJPPBLSH-DEOSSOPVSA-N 0 0 420.513 4.421 20 30 HIEDRN CCSCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000442669688 867604847 /nfs/dbraw/zinc/60/48/47/867604847.db2.gz CWHQIHIGBYAOEH-INIZCTEOSA-N 0 0 411.527 4.279 20 30 HIEDRN COCCOCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccc1F ZINC000442689454 867621985 /nfs/dbraw/zinc/62/19/85/867621985.db2.gz SJQRDDOUVUDOBL-OAHLLOKOSA-N 0 0 417.387 4.224 20 30 HIEDRN CC[C@]1(C)CCCN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000442698844 867632874 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N#CCSc1ccccc1NC(=O)CN1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447389465 871298497 /nfs/dbraw/zinc/29/84/97/871298497.db2.gz ZDTLOLCYWNUPLD-UHFFFAOYSA-N 0 0 410.930 4.365 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1 ZINC000447425884 871330600 /nfs/dbraw/zinc/33/06/00/871330600.db2.gz ITZOITFIRKLCGN-IBGZPJMESA-N 0 0 420.513 4.109 20 30 HIEDRN C=CC[C@H]1N(C(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCCC1(C)C ZINC000447425739 871330652 /nfs/dbraw/zinc/33/06/52/871330652.db2.gz HMAQAWDHVLCXHN-LJQANCHMSA-N 0 0 409.486 4.064 20 30 HIEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2cccc(COCCOC(C)C)c2)CCCC1(C)C ZINC000447425599 871331690 /nfs/dbraw/zinc/33/16/90/871331690.db2.gz FYZFIUJENJBQIB-NRFANRHFSA-N 0 0 416.562 4.160 20 30 HIEDRN C=CC[C@H]1N(C(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CCCC1(C)C ZINC000447432948 871336603 /nfs/dbraw/zinc/33/66/03/871336603.db2.gz XUGHOXUZRKJPFU-HXUWFJFHSA-N 0 0 418.497 4.422 20 30 HIEDRN CCCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000447453583 871347184 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HIEDRN CC(C)Oc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)ccc1C(N)=O ZINC000447677423 871609776 /nfs/dbraw/zinc/60/97/76/871609776.db2.gz GCPDDMIOCFIGNV-UHFFFAOYSA-N 0 0 404.470 4.083 20 30 HIEDRN O=C(Cc1ccc(Br)c(F)c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468521348 882530633 /nfs/dbraw/zinc/53/06/33/882530633.db2.gz CJRFWHVFVDYGNK-UHFFFAOYSA-N 0 0 410.127 4.474 20 30 HIEDRN N#C[C@H]1CN(Cc2ccc(Oc3cccc(F)c3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000447730267 871677929 /nfs/dbraw/zinc/67/79/29/871677929.db2.gz QXVMYDKNRHPYSI-BVZFJXPGSA-N 0 0 413.452 4.463 20 30 HIEDRN Cc1cc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000468523363 882536892 /nfs/dbraw/zinc/53/68/92/882536892.db2.gz PSHGVROMFCFPIS-UHFFFAOYSA-N 0 0 404.314 4.009 20 30 HIEDRN CC(C)(C)[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000447804350 871739875 /nfs/dbraw/zinc/73/98/75/871739875.db2.gz FEZAGTXXENNDHE-SFTDATJTSA-N 0 0 416.525 4.019 20 30 HIEDRN Fc1ccc(OCc2noc(CN(CCC(F)(F)F)CC(F)(F)F)n2)cc1 ZINC000447832539 871760011 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20 30 HIEDRN N#C[C@@H]1N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCC[C@]12CCCCO2 ZINC000447908258 871810928 /nfs/dbraw/zinc/81/09/28/871810928.db2.gz AEWFLFGMBODABH-ZKMPZPQNSA-N 0 0 406.526 4.021 20 30 HIEDRN C[C@H](NC(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N)c1ccc(Cl)cc1Cl ZINC000447917704 871813026 /nfs/dbraw/zinc/81/30/26/871813026.db2.gz YJUJANRALUAFQB-BOUXLOLZSA-N 0 0 410.345 4.098 20 30 HIEDRN N#C[C@@H]1N(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CCC[C@]12CCCCO2 ZINC000447919122 871813050 /nfs/dbraw/zinc/81/30/50/871813050.db2.gz UFFWXVAZUNQZHS-HRAATJIYSA-N 0 0 410.499 4.084 20 30 HIEDRN COc1ccc(OCc2nc(CN3CCC[C@]4(CCCCO4)[C@@H]3C#N)cs2)cc1 ZINC000447917883 871813585 /nfs/dbraw/zinc/81/35/85/871813585.db2.gz RSLFBTHPZKIDFZ-RBBKRZOGSA-N 0 0 413.543 4.158 20 30 HIEDRN Cc1cc(C(=O)[C@H](C)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(C)n1Cc1ccco1 ZINC000447920811 871814788 /nfs/dbraw/zinc/81/47/88/871814788.db2.gz YIEZWDUVUAIJKD-KWOQKUFVSA-N 0 0 409.530 4.245 20 30 HIEDRN COc1cc2c(c(CNc3nnc(SCc4ccc(C#N)cc4)s3)c1)O[C@@H](C)C2 ZINC000447953081 871822511 /nfs/dbraw/zinc/82/25/11/871822511.db2.gz JTPAZQXUEMXRNE-ZDUSSCGKSA-N 0 0 424.551 4.646 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NCc3cc(F)cc4cccnc43)s2)cc1 ZINC000447954802 871822631 /nfs/dbraw/zinc/82/26/31/871822631.db2.gz MUKVQHKPDJBWBD-UHFFFAOYSA-N 0 0 407.499 5.001 20 30 HIEDRN COCCN(Cc1cncs1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000447976413 871831289 /nfs/dbraw/zinc/83/12/89/871831289.db2.gz KBDITROBVYODTJ-UHFFFAOYSA-N 0 0 408.483 4.488 20 30 HIEDRN C[C@H]1OCC[C@@]12CN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)C[C@@H](C)O2 ZINC000447980493 871834017 /nfs/dbraw/zinc/83/40/17/871834017.db2.gz XKBCSAMVXYNZIS-SEPYTNNBSA-N 0 0 407.470 4.151 20 30 HIEDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000448014940 871856919 /nfs/dbraw/zinc/85/69/19/871856919.db2.gz DYNKMXYFJHAMCB-IRXDYDNUSA-N 0 0 409.486 4.041 20 30 HIEDRN C=CCCCNC(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000448044163 871875940 /nfs/dbraw/zinc/87/59/40/871875940.db2.gz RUHIYQOOALDMQS-MRXNPFEDSA-N 0 0 411.340 4.115 20 30 HIEDRN C=CCCCNC(=O)N[C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000448044941 871876670 /nfs/dbraw/zinc/87/66/70/871876670.db2.gz YHJWFSDXYTYTCN-NRFANRHFSA-N 0 0 400.544 4.007 20 30 HIEDRN C=CCn1c(SC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 ZINC000448052454 871883150 /nfs/dbraw/zinc/88/31/50/871883150.db2.gz CTRAZNPJOIUCGY-HNNXBMFYSA-N 0 0 409.433 4.439 20 30 HIEDRN N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c(F)c1 ZINC000448096830 871939451 /nfs/dbraw/zinc/93/94/51/871939451.db2.gz JZVLOGYCURWECW-QFIPXVFZSA-N 0 0 401.397 4.193 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](NC(=O)c1ccccc1OCC)C(C)C ZINC000448133446 872008679 /nfs/dbraw/zinc/00/86/79/872008679.db2.gz BHPGGRUPTSMLQQ-HXUWFJFHSA-N 0 0 400.544 4.116 20 30 HIEDRN Cc1cc(C[C@H](C)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n(-c2ccccc2)n1 ZINC000448194043 872076428 /nfs/dbraw/zinc/07/64/28/872076428.db2.gz QHBQSDZBZGLXJX-MHECFPHRSA-N 0 0 416.525 4.203 20 30 HIEDRN CCOc1cc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc(Br)c1OC 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RWKGWLGINKGOAK-UHFFFAOYSA-N 0 0 415.478 4.247 20 30 HIEDRN Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000448456552 872406494 /nfs/dbraw/zinc/40/64/94/872406494.db2.gz KKLUOIPFXLPLEH-LLVKDONJSA-N 0 0 416.359 4.342 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1Cl ZINC000468559782 882610354 /nfs/dbraw/zinc/61/03/54/882610354.db2.gz JZOXBUYQWDLVGN-UHFFFAOYSA-N 0 0 402.884 4.358 20 30 HIEDRN CCCOc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(OCCC)c1 ZINC000448537615 872538783 /nfs/dbraw/zinc/53/87/83/872538783.db2.gz KVCNSDWVWRJMOU-JTHBVZDNSA-N 0 0 400.519 4.332 20 30 HIEDRN CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448544530 872553465 /nfs/dbraw/zinc/55/34/65/872553465.db2.gz UMWDFWFWZYGKJZ-QUCCMNQESA-N 0 0 421.335 4.304 20 30 HIEDRN CCCn1c(C)c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c2cc(OC)ccc21 ZINC000448545341 872557179 /nfs/dbraw/zinc/55/71/79/872557179.db2.gz ZCFOCTXWHFRSIE-ZJSXRUAMSA-N 0 0 409.530 4.436 20 30 HIEDRN CCCC1(CNC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCC1 ZINC000468568746 882627673 /nfs/dbraw/zinc/62/76/73/882627673.db2.gz FRCVAOSLROZVDU-UHFFFAOYSA-N 0 0 419.525 4.357 20 30 HIEDRN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000460177070 872737088 /nfs/dbraw/zinc/73/70/88/872737088.db2.gz VDYSHZWXQWUTOO-JTQLQIEISA-N 0 0 411.202 4.328 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000460179195 872739242 /nfs/dbraw/zinc/73/92/42/872739242.db2.gz DAXFRHAHWKSFMB-AOMKIAJQSA-N 0 0 405.477 4.475 20 30 HIEDRN CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460194539 872766501 /nfs/dbraw/zinc/76/65/01/872766501.db2.gz FKFAZDNFRSNXAR-QGZVFWFLSA-N 0 0 423.492 4.102 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC000460227492 872813527 /nfs/dbraw/zinc/81/35/27/872813527.db2.gz CDVVVDVBRJGBOT-OAQYLSRUSA-N 0 0 403.486 4.099 20 30 HIEDRN CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460284500 872873439 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COCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(C#N)cc1 ZINC000460360632 872987263 /nfs/dbraw/zinc/98/72/63/872987263.db2.gz FZQBQQWANAVFFX-UHFFFAOYSA-N 0 0 411.461 4.302 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2cccc(Cl)c2C)CC1 ZINC000460367209 873000490 /nfs/dbraw/zinc/00/04/90/873000490.db2.gz CKFLMOGIEULAKQ-SFHVURJKSA-N 0 0 415.969 4.037 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460367192 873001890 /nfs/dbraw/zinc/00/18/90/873001890.db2.gz AJXMIFJZIYUIJF-UHFFFAOYSA-N 0 0 405.477 4.185 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)[C@@H](C)CC#N ZINC000460367590 873002613 /nfs/dbraw/zinc/00/26/13/873002613.db2.gz BKJJQERWCWTFMD-ZDUSSCGKSA-N 0 0 404.312 4.031 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC[C@H]1C ZINC000460369861 873005470 /nfs/dbraw/zinc/00/54/70/873005470.db2.gz KJBVVYDDHRBULE-ZWKOTPCHSA-N 0 0 420.561 4.437 20 30 HIEDRN C=C(C)Cn1c(C)nnc1N1CCC[C@H]1c1ccc(I)cc1 ZINC000460370329 873006472 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418.570 4.480 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000460951696 873850882 /nfs/dbraw/zinc/85/08/82/873850882.db2.gz MHXFNOTVCXTUCP-OAHLLOKOSA-N 0 0 421.467 4.306 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000460951653 873850958 /nfs/dbraw/zinc/85/09/58/873850958.db2.gz LYUSNGBZVMKICO-UHFFFAOYSA-N 0 0 410.905 4.040 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(Cc1cccs1)C1CC1 ZINC000460954209 873852909 /nfs/dbraw/zinc/85/29/09/873852909.db2.gz CBFYJMNRQYTCNH-UHFFFAOYSA-N 0 0 413.572 4.076 20 30 HIEDRN C=C(C)Cn1c(CCC(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000460955647 873853732 /nfs/dbraw/zinc/85/37/32/873853732.db2.gz FWWOWSPTOPQXHN-UHFFFAOYSA-N 0 0 423.605 4.114 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N(CCCO)[C@@H]1CCc2ccccc21 ZINC000460956760 873854358 /nfs/dbraw/zinc/85/43/58/873854358.db2.gz IWUJAOYTARNLGT-JOCHJYFZSA-N 0 0 406.530 4.109 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000460957777 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HIEDRN N#Cc1cccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000468647668 882784397 /nfs/dbraw/zinc/78/43/97/882784397.db2.gz KPDYCMCQODAYSW-UHFFFAOYSA-N 0 0 421.444 4.144 20 30 HIEDRN Cc1ccc(-n2nc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c3c2CCCC3)cc1 ZINC000468650508 882786964 /nfs/dbraw/zinc/78/69/64/882786964.db2.gz YKYZMURKPYVBOA-DHLKQENFSA-N 0 0 418.541 4.127 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)N3Cc4ccc(O)cc4C4(CC4)C3)s2)cc1 ZINC000461114935 874039879 /nfs/dbraw/zinc/03/98/79/874039879.db2.gz UTXDLVOGCPZAHL-UHFFFAOYSA-N 0 0 416.506 4.390 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccc2C)n1C[C@H]1CCCO1 ZINC000461120333 874046000 /nfs/dbraw/zinc/04/60/00/874046000.db2.gz BEHOEIHGXUCGTL-JOCHJYFZSA-N 0 0 413.525 4.497 20 30 HIEDRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461124360 874054732 /nfs/dbraw/zinc/05/47/32/874054732.db2.gz BLXJBLSCYHFKFS-VQIMIIECSA-N 0 0 405.477 4.332 20 30 HIEDRN C[C@H](c1ccccc1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461127590 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RKVMEIGLXWESAS-UHFFFAOYSA-N 0 0 410.433 4.117 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)NCc3ncc(-c4ccccc4)cn3)cc2)nc1 ZINC000461155300 874108165 /nfs/dbraw/zinc/10/81/65/874108165.db2.gz IQBBMSHRQYOLHN-UHFFFAOYSA-N 0 0 407.433 4.133 20 30 HIEDRN Cc1ccc(-c2nnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2C[C@H]2CCCO2)o1 ZINC000461159273 874117607 /nfs/dbraw/zinc/11/76/07/874117607.db2.gz JYNMULMZJBLDMH-OAQYLSRUSA-N 0 0 415.497 4.191 20 30 HIEDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468659491 882796599 /nfs/dbraw/zinc/79/65/99/882796599.db2.gz JUJVNTQBUGGERR-OFNKIYASSA-N 0 0 424.570 4.035 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3Cc4ccccc4C4(CC4)C3)n2C[C@H]2CCCO2)c1 ZINC000461178084 874159268 /nfs/dbraw/zinc/15/92/68/874159268.db2.gz DMBBSRJOPFYHFF-OAQYLSRUSA-N 0 0 411.509 4.048 20 30 HIEDRN N#C[C@H]1N(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CCC[C@]12CCCCO2 ZINC000468665886 882800147 /nfs/dbraw/zinc/80/01/47/882800147.db2.gz HPZWSCOXPKWQGI-UYAOXDASSA-N 0 0 419.312 4.247 20 30 HIEDRN 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C=CCN(Cc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1 ZINC000461563860 874659238 /nfs/dbraw/zinc/65/92/38/874659238.db2.gz OXMYCCUAWGXWBV-LJQANCHMSA-N 0 0 419.485 4.082 20 30 HIEDRN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468771048 882852495 /nfs/dbraw/zinc/85/24/95/882852495.db2.gz BJBJBJZWJBLNBS-UHFFFAOYSA-N 0 0 413.836 4.295 20 30 HIEDRN C[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C1(N2CCOCC2)CCCC1 ZINC000461581578 874687839 /nfs/dbraw/zinc/68/78/39/874687839.db2.gz HPTIXCCFPZNXLH-IBGZPJMESA-N 0 0 419.525 4.114 20 30 HIEDRN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468771940 882853229 /nfs/dbraw/zinc/85/32/29/882853229.db2.gz ASMBMULQKOWRFK-ZDUSSCGKSA-N 0 0 410.271 4.337 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)c(OC)c1 ZINC000461595327 874717579 /nfs/dbraw/zinc/71/75/79/874717579.db2.gz SVWPJUWVRYEJQQ-LJQANCHMSA-N 0 0 419.525 4.482 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3ccc(F)cc3)C3CC3)n2C[C@H]2CCOC2)c1 ZINC000461600458 874729390 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CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000461757003 874894341 /nfs/dbraw/zinc/89/43/41/874894341.db2.gz PFGXNDFFOVQNJS-CYBMUJFWSA-N 0 0 404.297 4.456 20 30 HIEDRN Cc1ccc2nc(-c3ccc(NC(=O)C(=O)N[C@@H]4CCC[C@@H]4C#N)cc3)sc2c1 ZINC000461776743 874902421 /nfs/dbraw/zinc/90/24/21/874902421.db2.gz UGPRTACNVDAILW-NVXWUHKLSA-N 0 0 404.495 4.019 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)c2cccc(Br)c2)cc1 ZINC000461779431 874903272 /nfs/dbraw/zinc/90/32/72/874903272.db2.gz VBUOBRMKGVRGDD-CYBMUJFWSA-N 0 0 402.292 4.499 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000461784755 874904727 /nfs/dbraw/zinc/90/47/27/874904727.db2.gz MHNNSWWFZLRHQC-SCLBCKFNSA-N 0 0 417.387 4.245 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(Cc2ccc3ccccc3c2)n1C[C@H]1CCCCO1 ZINC000461812816 874930671 /nfs/dbraw/zinc/93/06/71/874930671.db2.gz VHLRAJHHSYZTOE-XMSQKQJNSA-N 0 0 403.530 4.330 20 30 HIEDRN CCCn1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc2ccccc21 ZINC000468822988 882877472 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COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503492072 912538166 /nfs/dbraw/zinc/53/81/66/912538166.db2.gz RDRJQMBZTICROF-CQSZACIVSA-N 0 0 404.919 4.210 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000466446470 880223826 /nfs/dbraw/zinc/22/38/26/880223826.db2.gz PVGDPDYPWHGCCM-MRXNPFEDSA-N 0 0 419.485 4.300 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000466448131 880226122 /nfs/dbraw/zinc/22/61/22/880226122.db2.gz DKWHZYDTYARJMW-MRXNPFEDSA-N 0 0 419.678 4.442 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000466466734 880248945 /nfs/dbraw/zinc/24/89/45/880248945.db2.gz RLBLSNFLKFFUOE-MRXNPFEDSA-N 0 0 422.485 4.213 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(Cc3ccccc3)CCC2)cc1C(F)(F)F ZINC000466477200 880259712 /nfs/dbraw/zinc/25/97/12/880259712.db2.gz IBQZYGPVIJTIAN-UHFFFAOYSA-N 0 0 415.415 4.045 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000466596533 880367808 /nfs/dbraw/zinc/36/78/08/880367808.db2.gz MEEMUNVBZYNLIQ-UHFFFAOYSA-N 0 0 421.432 4.412 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000466599034 880368853 /nfs/dbraw/zinc/36/88/53/880368853.db2.gz SXQFIYZEVOBPCV-UHFFFAOYSA-N 0 0 404.474 4.052 20 30 HIEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)cc2n[nH]nc21 ZINC000503513599 912560896 /nfs/dbraw/zinc/56/08/96/912560896.db2.gz NQBGWRIMPQQBQY-CYBMUJFWSA-N 0 0 406.261 4.149 20 30 HIEDRN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466605772 880374934 /nfs/dbraw/zinc/37/49/34/880374934.db2.gz CVXSQUGDJOGPCB-UHFFFAOYSA-N 0 0 418.501 4.395 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000466608397 880378146 /nfs/dbraw/zinc/37/81/46/880378146.db2.gz IIGGGIZFZLKRHO-QHCPKHFHSA-N 0 0 419.525 4.322 20 30 HIEDRN COc1ccc([C@@H](NC(=O)Nc2ncccc2OCCCC#N)C(F)(F)F)cc1 ZINC000466608739 880379389 /nfs/dbraw/zinc/37/93/89/880379389.db2.gz JAVGGAYTQWMJAD-MRXNPFEDSA-N 0 0 408.380 4.198 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000466608515 880379487 /nfs/dbraw/zinc/37/94/87/880379487.db2.gz PJNBTEHNYPNQKW-FQEVSTJZSA-N 0 0 408.502 4.020 20 30 HIEDRN C[C@@H](Cc1ccccc1Br)NC(=O)Nc1ncccc1OCCCC#N ZINC000466609884 880380669 /nfs/dbraw/zinc/38/06/69/880380669.db2.gz VMDPOSKSYCVTBU-AWEZNQCLSA-N 0 0 417.307 4.279 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000466612113 880382001 /nfs/dbraw/zinc/38/20/01/880382001.db2.gz XOEHUHRESSDFIW-FQEVSTJZSA-N 0 0 408.502 4.058 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCc1csc(CCc2ccccc2)n1 ZINC000466618628 880388780 /nfs/dbraw/zinc/38/87/80/880388780.db2.gz UFHFENATTLLLMM-UHFFFAOYSA-N 0 0 421.526 4.328 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000466619753 880390538 /nfs/dbraw/zinc/39/05/38/880390538.db2.gz YDMNBMHIYZGVMI-HNNXBMFYSA-N 0 0 414.334 4.467 20 30 HIEDRN Cc1cccc([C@H](NC(=O)Nc2ncccc2OCCCC#N)c2ccccn2)c1 ZINC000466623074 880394897 /nfs/dbraw/zinc/39/48/97/880394897.db2.gz 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ZINC000466719847 880508947 /nfs/dbraw/zinc/50/89/47/880508947.db2.gz YDENJNWNMABMSI-QGZVFWFLSA-N 0 0 422.229 4.204 20 30 HIEDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccc2NC1=O ZINC000466753207 880533559 /nfs/dbraw/zinc/53/35/59/880533559.db2.gz IIQBRWPGCDOKBH-KKSFZXQISA-N 0 0 420.513 4.349 20 30 HIEDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2NC1=O ZINC000466763836 880543957 /nfs/dbraw/zinc/54/39/57/880543957.db2.gz CCTIMZOZTAFYQO-IFXJQAMLSA-N 0 0 406.486 4.480 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)c3cccc4ccsc43)c(C#N)c2N)cc1 ZINC000466773328 880554130 /nfs/dbraw/zinc/55/41/30/880554130.db2.gz BPEUNWWLEVZCLO-UHFFFAOYSA-N 0 0 415.522 4.212 20 30 HIEDRN C[C@H]1[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)CC(=O)N1Cc1ccccc1 ZINC000466785070 880563394 /nfs/dbraw/zinc/56/33/94/880563394.db2.gz ACFMOQUPOCNKHB-MHECFPHRSA-N 0 0 409.489 4.145 20 30 HIEDRN C[C@]1(C(F)(F)F)c2ccccc2CCN1C(=O)CCOCC(F)(F)C(F)(F)F ZINC000466794352 880573415 /nfs/dbraw/zinc/57/34/15/880573415.db2.gz 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CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000466893664 880660673 /nfs/dbraw/zinc/66/06/73/880660673.db2.gz JCHXKKZPVOTAOK-IBGZPJMESA-N 0 0 405.889 4.766 20 30 HIEDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000466900432 880667756 /nfs/dbraw/zinc/66/77/56/880667756.db2.gz SAWRVWHFGFAGDF-NQIIRXRSSA-N 0 0 410.539 4.172 20 30 HIEDRN Cc1ccc(-n2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cn2)c(C)c1 ZINC000466945132 880719449 /nfs/dbraw/zinc/71/94/49/880719449.db2.gz SKNUPOSXBROMIX-UHFFFAOYSA-N 0 0 415.497 4.436 20 30 HIEDRN COC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3[nH]c(=O)[nH]c3c2)s1 ZINC000466947947 880724159 /nfs/dbraw/zinc/72/41/59/880724159.db2.gz CZXAYIUWXLREHT-UHFFFAOYSA-N 0 0 418.478 4.195 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000466949369 880726085 /nfs/dbraw/zinc/72/60/85/880726085.db2.gz CJQGKUJOIAOBNT-UHFFFAOYSA-N 0 0 411.509 4.042 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)c1ccc(SC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000466953016 880733365 /nfs/dbraw/zinc/73/33/65/880733365.db2.gz HISUMVRNXHHPDL-SJORKVTESA-N 0 0 422.558 4.404 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 ZINC000466954636 880735259 /nfs/dbraw/zinc/73/52/59/880735259.db2.gz NKFJIVKVZQMONM-UNMCSNQZSA-N 0 0 407.514 4.200 20 30 HIEDRN C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466977224 880781504 /nfs/dbraw/zinc/78/15/04/880781504.db2.gz OBROWBXZPSLDDL-UZLBHIALSA-N 0 0 401.432 4.218 20 30 HIEDRN COC(=O)[C@H](NCc1ccc(OCc2ccccc2F)cc1)c1cccc(C#N)c1 ZINC000467003926 880812828 /nfs/dbraw/zinc/81/28/28/880812828.db2.gz ZJYZNBJRLOPZCC-HSZRJFAPSA-N 0 0 404.441 4.280 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(C(F)(F)F)cc1C ZINC000467026403 880827041 /nfs/dbraw/zinc/82/70/41/880827041.db2.gz YTFXTCIZOFGISK-UHFFFAOYSA-N 0 0 406.404 4.370 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000467058263 880845784 /nfs/dbraw/zinc/84/57/84/880845784.db2.gz KYQTWDUJTGAITJ-KRWDZBQOSA-N 0 0 402.885 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411.889 4.168 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000467253845 880986170 /nfs/dbraw/zinc/98/61/70/880986170.db2.gz LPTVDXHACKSTBO-UHFFFAOYSA-N 0 0 403.486 4.101 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467265988 881004794 /nfs/dbraw/zinc/00/47/94/881004794.db2.gz LJKXGCJKJDQKQW-UHFFFAOYSA-N 0 0 403.320 4.102 20 30 HIEDRN COc1cc(OC)cc(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1 ZINC000467282329 881029437 /nfs/dbraw/zinc/02/94/37/881029437.db2.gz PAKCRMYLFMYJJN-UHFFFAOYSA-N 0 0 410.518 4.184 20 30 HIEDRN C=CCCN(C)C(=O)C(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1 ZINC000467308729 881056116 /nfs/dbraw/zinc/05/61/16/881056116.db2.gz MSKUQHNCHWBZOX-UHFFFAOYSA-N 0 0 409.511 4.335 20 30 HIEDRN CN(Cc1ccc(C#N)s1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467352436 881110483 /nfs/dbraw/zinc/11/04/83/881110483.db2.gz GPTGIEPWPNGQFS-UHFFFAOYSA-N 0 0 409.349 4.164 20 30 HIEDRN C[C@@H](c1nccs1)N1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000467387870 881170022 /nfs/dbraw/zinc/17/00/22/881170022.db2.gz IYEHNRHIAFRHAY-IBGZPJMESA-N 0 0 416.550 4.454 20 30 HIEDRN C[C@H](c1nccs1)N1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000467387873 881170377 /nfs/dbraw/zinc/17/03/77/881170377.db2.gz IYEHNRHIAFRHAY-LJQANCHMSA-N 0 0 416.550 4.454 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N2CCC(C#N)CC2)cc1 ZINC000467427324 881218269 /nfs/dbraw/zinc/21/82/69/881218269.db2.gz JIKIIECXZZTKCC-UHFFFAOYSA-N 0 0 413.499 4.040 20 30 HIEDRN COCc1nc2cc(N[C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)ccc2o1 ZINC000467431294 881227249 /nfs/dbraw/zinc/22/72/49/881227249.db2.gz XMMXDHYMJSYBNF-QGZVFWFLSA-N 0 0 406.486 4.338 20 30 HIEDRN Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(-c3cccc(C#N)c3)no1)CC2 ZINC000469079107 883163044 /nfs/dbraw/zinc/16/30/44/883163044.db2.gz REWVJPLFHPYSPS-UHFFFAOYSA-N 0 0 422.282 4.483 20 30 HIEDRN CS(=O)(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1F ZINC000469089040 883175159 /nfs/dbraw/zinc/17/51/59/883175159.db2.gz UAWMDSSXTFOXMI-UHFFFAOYSA-N 0 0 408.454 4.161 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)COc2ccc3cc(Br)ccc3c2)n1 ZINC000469101720 883192474 /nfs/dbraw/zinc/19/24/74/883192474.db2.gz ROLBBIMZRRASEM-UHFFFAOYSA-N 0 0 413.275 4.269 20 30 HIEDRN COc1ccc(-c2n[nH]cc2CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469108672 883201570 /nfs/dbraw/zinc/20/15/70/883201570.db2.gz SFSNZHSAVTUNST-UHFFFAOYSA-N 0 0 415.497 4.280 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000469130991 883226688 /nfs/dbraw/zinc/22/66/88/883226688.db2.gz XJFBAYAAJISSBX-INIZCTEOSA-N 0 0 410.543 4.388 20 30 HIEDRN COc1ccccc1N1CC[C@@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469148812 883245814 /nfs/dbraw/zinc/24/58/14/883245814.db2.gz ZTUVGJYNUFTQMV-IBGZPJMESA-N 0 0 416.525 4.210 20 30 HIEDRN Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1C(=O)N1CCCCC1 ZINC000469188760 883287405 /nfs/dbraw/zinc/28/74/05/883287405.db2.gz HIBBSBYVGSUHEG-UHFFFAOYSA-N 0 0 414.465 4.400 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)on2)c1 ZINC000469204589 883303953 /nfs/dbraw/zinc/30/39/53/883303953.db2.gz GPAYGOVAXJHLDI-HXUWFJFHSA-N 0 0 411.820 4.219 20 30 HIEDRN N#CCCCn1cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c2ccccc21 ZINC000469227475 883328385 /nfs/dbraw/zinc/32/83/85/883328385.db2.gz NPESEJDGNISUAZ-GOSISDBHSA-N 0 0 404.489 4.340 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN[C@H](c1ccccc1)C(F)(F)F ZINC000469271579 883369812 /nfs/dbraw/zinc/36/98/12/883369812.db2.gz MDBXJHXSBOSTCB-SVFBPWRDSA-N 0 0 401.432 4.178 20 30 HIEDRN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469272136 883371537 /nfs/dbraw/zinc/37/15/37/883371537.db2.gz QSDYRGURLZWXTH-RBUKOAKNSA-N 0 0 418.541 4.256 20 30 HIEDRN CC(C)CCSc1ccc(C(=O)Nc2nn(C(C)C)cc2C#N)cc1[N+](=O)[O-] ZINC000469305802 883404085 /nfs/dbraw/zinc/40/40/85/883404085.db2.gz WLPKUARMSGJQMM-UHFFFAOYSA-N 0 0 401.492 4.634 20 30 HIEDRN N#Cc1cccc(NCC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1 ZINC000469329390 883439005 /nfs/dbraw/zinc/43/90/05/883439005.db2.gz HZUGIRKOOIYZAF-GOSISDBHSA-N 0 0 402.267 4.235 20 30 HIEDRN CC(C)[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1nnc2ccccn21 ZINC000469334435 883446501 /nfs/dbraw/zinc/44/65/01/883446501.db2.gz VWMOFGDXDLSQML-NRFANRHFSA-N 0 0 400.486 4.115 20 30 HIEDRN CC(C)[C@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000503614753 912713968 /nfs/dbraw/zinc/71/39/68/912713968.db2.gz FQHWFLSJOHBDKR-FQEVSTJZSA-N 0 0 414.303 4.369 20 30 HIEDRN N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)c1ccnn1CC(F)F ZINC000469355525 883477638 /nfs/dbraw/zinc/47/76/38/883477638.db2.gz WCGRGMGBRICUHV-UHFFFAOYSA-N 0 0 404.364 4.425 20 30 HIEDRN Cc1nc(-c2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2)n[nH]1 ZINC000469377347 883507884 /nfs/dbraw/zinc/50/78/84/883507884.db2.gz PSXBLYQOKJUVQL-HSZRJFAPSA-N 0 0 423.476 4.354 20 30 HIEDRN C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1n1ccnc1 ZINC000469380888 883516252 /nfs/dbraw/zinc/51/62/52/883516252.db2.gz HPQQMQSNTJUETD-MBSDFSHPSA-N 0 0 400.482 4.057 20 30 HIEDRN C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1n1ccnc1 ZINC000469384873 883529362 /nfs/dbraw/zinc/52/93/62/883529362.db2.gz XJTFKNYOKFQESS-FDDCHVKYSA-N 0 0 400.482 4.057 20 30 HIEDRN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503623829 912723480 /nfs/dbraw/zinc/72/34/80/912723480.db2.gz GXUJTDZBQDBSKL-UHFFFAOYSA-N 0 0 416.525 4.290 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000469424209 883601496 /nfs/dbraw/zinc/60/14/96/883601496.db2.gz KIDXUAJNILUPCB-AWEZNQCLSA-N 0 0 411.477 4.014 20 30 HIEDRN COc1cccc(N2CCC[C@@H](NC(=O)c3cn(CCCC#N)c4ccccc34)C2)c1 ZINC000469439257 883629904 /nfs/dbraw/zinc/62/99/04/883629904.db2.gz UOJVMNARCHVDKR-LJQANCHMSA-N 0 0 416.525 4.352 20 30 HIEDRN CCOc1cc(Br)c(CC(=O)N[C@@](C)(C#N)CC(C)C)cc1OCC ZINC000503633778 912735197 /nfs/dbraw/zinc/73/51/97/912735197.db2.gz NFTYPFDIZFNKIR-LJQANCHMSA-N 0 0 411.340 4.234 20 30 HIEDRN CC(C)(C)Oc1cccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 ZINC000503641304 912745234 /nfs/dbraw/zinc/74/52/34/912745234.db2.gz FHVDQSIRLPGKIM-UHFFFAOYSA-N 0 0 421.526 4.500 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000469511403 883769595 /nfs/dbraw/zinc/76/95/95/883769595.db2.gz ASQRFTPMXRWDGF-NRFANRHFSA-N 0 0 400.438 4.431 20 30 HIEDRN CC(C)(CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1cccc(Cl)c1F ZINC000469563943 883816252 /nfs/dbraw/zinc/81/62/52/883816252.db2.gz QBCYUHMXZWJCEW-LJQANCHMSA-N 0 0 415.896 4.411 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469623892 883838523 /nfs/dbraw/zinc/83/85/23/883838523.db2.gz XHOOJXFNVGPHHA-UHFFFAOYSA-N 0 0 415.827 4.134 20 30 HIEDRN CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000469719853 883885398 /nfs/dbraw/zinc/88/53/98/883885398.db2.gz BWSYVCBGRSFISV-MRXNPFEDSA-N 0 0 420.391 4.145 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N(Cc3ccccc3)CC(F)F)C2)c(F)c1 ZINC000469741886 883897631 /nfs/dbraw/zinc/89/76/31/883897631.db2.gz AEVFBFKKDUAFMR-SFHVURJKSA-N 0 0 416.447 4.143 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2nc3ccccc3o2)c1C#N ZINC000469744056 883899674 /nfs/dbraw/zinc/89/96/74/883899674.db2.gz XOXZJQAIQRKKHR-UHFFFAOYSA-N 0 0 413.481 4.178 20 30 HIEDRN N#CC1(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CCC1 ZINC000469762744 883931691 /nfs/dbraw/zinc/93/16/91/883931691.db2.gz GESIWHASIXLAKN-AWEZNQCLSA-N 0 0 406.326 4.318 20 30 HIEDRN N#CC1(C(=O)N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CCC1 ZINC000469762745 883932279 /nfs/dbraw/zinc/93/22/79/883932279.db2.gz GESIWHASIXLAKN-CQSZACIVSA-N 0 0 406.326 4.318 20 30 HIEDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503663346 912768304 /nfs/dbraw/zinc/76/83/04/912768304.db2.gz NOXGVVAQVNOGMC-JOCHJYFZSA-N 0 0 423.904 4.078 20 30 HIEDRN COCCOc1ccc(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000469772808 883946793 /nfs/dbraw/zinc/94/67/93/883946793.db2.gz QGRWIBZOMUSSLL-UHFFFAOYSA-N 0 0 400.478 4.109 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000503672980 912781244 /nfs/dbraw/zinc/78/12/44/912781244.db2.gz WCWUQYVLLOKRPP-HNNXBMFYSA-N 0 0 417.351 4.328 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469872846 884062586 /nfs/dbraw/zinc/06/25/86/884062586.db2.gz LDACZYVORTTZPR-QFIPXVFZSA-N 0 0 404.457 4.232 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000469882643 884072968 /nfs/dbraw/zinc/07/29/68/884072968.db2.gz VDJQFIKVPDZZSZ-UYAOXDASSA-N 0 0 402.416 4.378 20 30 HIEDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000469887577 884079048 /nfs/dbraw/zinc/07/90/48/884079048.db2.gz CPTNLMPLVLIQKB-FIKGOQFSSA-N 0 0 424.884 4.418 20 30 HIEDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000469894585 884086302 /nfs/dbraw/zinc/08/63/02/884086302.db2.gz XGRZXTDOUIJUNF-CBQOVEMMSA-N 0 0 404.466 4.073 20 30 HIEDRN Cc1ccc(C[C@H](CO)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 ZINC000469922232 884113083 /nfs/dbraw/zinc/11/30/83/884113083.db2.gz YWXPBLNRPVDEQG-LJQANCHMSA-N 0 0 404.441 4.132 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)CCCOc3ccccc3F)ccc21 ZINC000469946123 884143335 /nfs/dbraw/zinc/14/33/35/884143335.db2.gz APVURHKZGOHBNR-UHFFFAOYSA-N 0 0 409.461 4.206 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OCC4CC4)cc3)ccc21 ZINC000469950276 884149729 /nfs/dbraw/zinc/14/97/29/884149729.db2.gz KOUCQFMBNKLHCS-UHFFFAOYSA-N 0 0 403.482 4.311 20 30 HIEDRN CC(C)COc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469951078 884151894 /nfs/dbraw/zinc/15/18/94/884151894.db2.gz UUOVYRAPFBHHRQ-UHFFFAOYSA-N 0 0 419.525 4.486 20 30 HIEDRN Cc1cccc(C)c1OCCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469957343 884162232 /nfs/dbraw/zinc/16/22/32/884162232.db2.gz UUQPUBAOHUZNEV-UHFFFAOYSA-N 0 0 405.498 4.294 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)CSc3nc4ccccc4o3)ccc21 ZINC000469969867 884181292 /nfs/dbraw/zinc/18/12/92/884181292.db2.gz SVFXNKLZBYUEOS-UHFFFAOYSA-N 0 0 420.494 4.142 20 30 HIEDRN COc1ccccc1SCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469971254 884183051 /nfs/dbraw/zinc/18/30/51/884183051.db2.gz DDWXXXYMGIQXIZ-UHFFFAOYSA-N 0 0 409.511 4.009 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000469973658 884184800 /nfs/dbraw/zinc/18/48/00/884184800.db2.gz NHGBMRQOSBHDOO-UHFFFAOYSA-N 0 0 412.287 4.284 20 30 HIEDRN COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccc(C)o1 ZINC000470017511 884234590 /nfs/dbraw/zinc/23/45/90/884234590.db2.gz JLGODXOCVVIPIJ-UHFFFAOYSA-N 0 0 412.534 4.080 20 30 HIEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025136 884244591 /nfs/dbraw/zinc/24/45/91/884244591.db2.gz SOSRJZGTTYMHRH-BBRMVZONSA-N 0 0 404.297 4.345 20 30 HIEDRN C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1ccccc1-n1cccn1 ZINC000470035736 884271986 /nfs/dbraw/zinc/27/19/86/884271986.db2.gz QSHBQMQUWDNUEJ-QGZVFWFLSA-N 0 0 405.527 4.038 20 30 HIEDRN C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000470098446 884356294 /nfs/dbraw/zinc/35/62/94/884356294.db2.gz SSQVYJBRKUCKIX-KRWDZBQOSA-N 0 0 412.449 4.407 20 30 HIEDRN COC(=O)[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccsc1 ZINC000470118734 884380103 /nfs/dbraw/zinc/38/01/03/884380103.db2.gz BLAWGJLPSNOQCB-IBGZPJMESA-N 0 0 408.504 4.415 20 30 HIEDRN C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccccc1-n1cccn1 ZINC000470123955 884385105 /nfs/dbraw/zinc/38/51/05/884385105.db2.gz RSGURLXAPFQJCU-KRWDZBQOSA-N 0 0 412.449 4.407 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000470127923 884389608 /nfs/dbraw/zinc/38/96/08/884389608.db2.gz GQUSVBBVHWVKSU-PMACEKPBSA-N 0 0 413.541 4.006 20 30 HIEDRN CC[C@@H](Cc1ccccc1Br)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000470183647 884473868 /nfs/dbraw/zinc/47/38/68/884473868.db2.gz RREHYGMPPNIIIC-SFHVURJKSA-N 0 0 400.320 4.483 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000503803390 912828400 /nfs/dbraw/zinc/82/84/00/912828400.db2.gz KTRPINZMHFBPJB-UHFFFAOYSA-N 0 0 422.525 4.413 20 30 HIEDRN Cc1cccc(NC(=O)CSCC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1 ZINC000470189471 884487181 /nfs/dbraw/zinc/48/71/81/884487181.db2.gz FNCPLRJAHVVBSP-UHFFFAOYSA-N 0 0 401.576 4.282 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)CCc3ccc(OC(F)F)cc3)CC2)c(Cl)c1 ZINC000470211415 884531721 /nfs/dbraw/zinc/53/17/21/884531721.db2.gz ZWTAVLKCLYEJLY-UHFFFAOYSA-N 0 0 419.859 4.094 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000470212783 884534721 /nfs/dbraw/zinc/53/47/21/884534721.db2.gz XQMNIPOUDOYPQQ-JTDSTZFVSA-N 0 0 415.584 4.400 20 30 HIEDRN N#CCCN(C(=O)CN1CCC[C@@H]1CC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000470216169 884541800 /nfs/dbraw/zinc/54/18/00/884541800.db2.gz PFMCLABEYPBSQD-QGZVFWFLSA-N 0 0 415.946 4.386 20 30 HIEDRN Cc1cccc(NC2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000470220076 884547719 /nfs/dbraw/zinc/54/77/19/884547719.db2.gz WRKMXGDYJVXYMB-UHFFFAOYSA-N 0 0 410.949 4.472 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503868685 912846236 /nfs/dbraw/zinc/84/62/36/912846236.db2.gz CWRLRXYOPSTTNK-OPAMFIHVSA-N 0 0 405.885 4.474 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000470315917 884691943 /nfs/dbraw/zinc/69/19/43/884691943.db2.gz AYKQWSBZLKYLEJ-FQEVSTJZSA-N 0 0 412.452 4.361 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)COc3ccc(Oc4ccccn4)cc3)CC2)cc1 ZINC000503892212 912854215 /nfs/dbraw/zinc/85/42/15/912854215.db2.gz MWULEGYUNUKJOS-UHFFFAOYSA-N 0 0 411.461 4.440 20 30 HIEDRN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)n1 ZINC000470388442 884792799 /nfs/dbraw/zinc/79/27/99/884792799.db2.gz ITBJRGRKDYHQBU-INIZCTEOSA-N 0 0 404.495 4.105 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000470393611 884799167 /nfs/dbraw/zinc/79/91/67/884799167.db2.gz MGQZUUNAROUGDM-SFHVURJKSA-N 0 0 417.509 4.159 20 30 HIEDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cccc(SCC#N)c1 ZINC000470421439 884824310 /nfs/dbraw/zinc/82/43/10/884824310.db2.gz ZVWBADYAUWCLOY-QGZVFWFLSA-N 0 0 402.523 4.201 20 30 HIEDRN CCO[C@@H](CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)C ZINC000470500131 884887952 /nfs/dbraw/zinc/88/79/52/884887952.db2.gz ZSAZTJAZJXQTBS-NRFANRHFSA-N 0 0 408.502 4.383 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](CC)C1CCOCC1 ZINC000470501595 884889134 /nfs/dbraw/zinc/88/91/34/884889134.db2.gz ZAASPUGDMCWWHF-GOSISDBHSA-N 0 0 413.331 4.491 20 30 HIEDRN Cc1cccc(CNC(=O)Nc2ncccc2OCCCC#N)c1Br ZINC000470503763 884893659 /nfs/dbraw/zinc/89/36/59/884893659.db2.gz IPXBJVHTCRQISC-UHFFFAOYSA-N 0 0 403.280 4.157 20 30 HIEDRN COc1cccc2c1CCN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)CC2 ZINC000470517663 884906552 /nfs/dbraw/zinc/90/65/52/884906552.db2.gz BYLDZTNQRBFEDY-UHFFFAOYSA-N 0 0 412.489 4.387 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2cc(C[S@@](C)=O)ccc2Cl)c1C ZINC000470524975 884919179 /nfs/dbraw/zinc/91/91/79/884919179.db2.gz BTQCQTRBQKOCGA-MUUNZHRXSA-N 0 0 417.962 4.194 20 30 HIEDRN CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000470526200 884920535 /nfs/dbraw/zinc/92/05/35/884920535.db2.gz NHTKAFOZWBPAQP-UHFFFAOYSA-N 0 0 419.312 4.054 20 30 HIEDRN C[S@](=O)Cc1ccc(Cl)c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000470528373 884924650 /nfs/dbraw/zinc/92/46/50/884924650.db2.gz VECADKWSVHCTLR-MHZLTWQESA-N 0 0 424.353 4.231 20 30 HIEDRN COc1cc(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)ccc1Br ZINC000470532301 884932347 /nfs/dbraw/zinc/93/23/47/884932347.db2.gz XONUSOBFAURIMW-UHFFFAOYSA-N 0 0 416.319 4.433 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000470535521 884935077 /nfs/dbraw/zinc/93/50/77/884935077.db2.gz DUYYWGVBRJPASN-UHFFFAOYSA-N 0 0 408.502 4.039 20 30 HIEDRN C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(F)cc1 ZINC000470540263 884944117 /nfs/dbraw/zinc/94/41/17/884944117.db2.gz SUVSVFVXUOXKGS-MRXNPFEDSA-N 0 0 408.477 4.334 20 30 HIEDRN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470546097 884953927 /nfs/dbraw/zinc/95/39/27/884953927.db2.gz JZFZOTZNWJPNOI-FQEVSTJZSA-N 0 0 412.534 4.083 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCCc3ccccc3Cl)ccc21 ZINC000470545606 884954586 /nfs/dbraw/zinc/95/45/86/884954586.db2.gz GVKAHWHQIKHRCC-UHFFFAOYSA-N 0 0 410.905 4.287 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNc2cc(Cl)ccc2-n2cccn2)cc1 ZINC000470548872 884959909 /nfs/dbraw/zinc/95/99/09/884959909.db2.gz UXLDXGQITQCCDB-UHFFFAOYSA-N 0 0 423.904 4.283 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CNc2cc(NC(=O)C3CC3)ccc2C)cc1 ZINC000470553211 884966627 /nfs/dbraw/zinc/96/66/27/884966627.db2.gz JRPKBINXWIPQTN-UHFFFAOYSA-N 0 0 420.513 4.101 20 30 HIEDRN COc1cccc(CCCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470554211 884967878 /nfs/dbraw/zinc/96/78/78/884967878.db2.gz WTGFHEMNLFLJEO-UHFFFAOYSA-N 0 0 420.513 4.032 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NC3(c4ccc(F)cc4)CC3)ccc21 ZINC000470556736 884971443 /nfs/dbraw/zinc/97/14/43/884971443.db2.gz RIMTUUFXHRFAQK-UHFFFAOYSA-N 0 0 406.461 4.219 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2ccc(C)c(C(=O)N(C)C)c2)ccc1Cl ZINC000470556761 884972217 /nfs/dbraw/zinc/97/22/17/884972217.db2.gz QHHNNPRLCAQNBV-UHFFFAOYSA-N 0 0 412.921 4.017 20 30 HIEDRN CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470559428 884974679 /nfs/dbraw/zinc/97/46/79/884974679.db2.gz PIVVHTWBRMDFDX-UHFFFAOYSA-N 0 0 404.514 4.369 20 30 HIEDRN CNC(=O)c1ccc(NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1Cl ZINC000470558992 884975221 /nfs/dbraw/zinc/97/52/21/884975221.db2.gz MSUWWTSJTFEBQB-UHFFFAOYSA-N 0 0 419.312 4.020 20 30 HIEDRN CC[C@](C)(NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nccs1 ZINC000470560342 884976179 /nfs/dbraw/zinc/97/61/79/884976179.db2.gz KMBQWDBPHNZNRP-NRFANRHFSA-N 0 0 411.531 4.173 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CSc4ccccc43)ccc21 ZINC000470561385 884978212 /nfs/dbraw/zinc/97/82/12/884978212.db2.gz SBMOZLRPYPYVCC-SFHVURJKSA-N 0 0 406.511 4.238 20 30 HIEDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000470575446 884992093 /nfs/dbraw/zinc/99/20/93/884992093.db2.gz WWZHMZNUTLULCK-IRLDBZIGSA-N 0 0 403.526 4.427 20 30 HIEDRN C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000470585811 885001455 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COC(=O)c1nc([C@H]2CCCN2Cc2ccc(C#N)cc2Br)sc1C ZINC000470991935 885492576 /nfs/dbraw/zinc/49/25/76/885492576.db2.gz GLPANAKABVPSHG-OAHLLOKOSA-N 0 0 420.332 4.209 20 30 HIEDRN C[C@H](c1nc(-c2ccccc2)no1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004306 885505422 /nfs/dbraw/zinc/50/54/22/885505422.db2.gz HVAMLMJAHGPOGX-OXQOHEQNSA-N 0 0 407.905 4.333 20 30 HIEDRN Cc1cccc(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000471005610 885507752 /nfs/dbraw/zinc/50/77/52/885507752.db2.gz HFPMGFLWQWZRDK-GCJKJVERSA-N 0 0 410.949 4.166 20 30 HIEDRN C[C@H](c1nnc(-c2ccccc2)o1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471012841 885515052 /nfs/dbraw/zinc/51/50/52/885515052.db2.gz SODUPZLPPOXJRB-UZLBHIALSA-N 0 0 407.905 4.333 20 30 HIEDRN Cc1sc(NC(=O)CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C)c1C ZINC000471014339 885515550 /nfs/dbraw/zinc/51/55/50/885515550.db2.gz JMWCGZOJOXCEMP-LJQANCHMSA-N 0 0 416.978 4.148 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)c1 ZINC000471023171 885529202 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ZINC000471296076 885881198 /nfs/dbraw/zinc/88/11/98/885881198.db2.gz JCEOKMKJSJBGRU-MRXNPFEDSA-N 0 0 418.419 4.058 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccc(Cl)cc3)C3CC3)C2)n1 ZINC000471298132 885885226 /nfs/dbraw/zinc/88/52/26/885885226.db2.gz NKPWAHFAQGPIDH-IBGZPJMESA-N 0 0 408.933 4.323 20 30 HIEDRN CCN(C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)[C@H](C)c1cccc(OC)c1 ZINC000471299568 885888715 /nfs/dbraw/zinc/88/87/15/885888715.db2.gz DTWDZWXWAANHOA-WIYYLYMNSA-N 0 0 406.530 4.096 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)C2)n1 ZINC000471301390 885890005 /nfs/dbraw/zinc/89/00/05/885890005.db2.gz VYOLZIHHHVDJBX-QHCPKHFHSA-N 0 0 415.541 4.035 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)cc1 ZINC000471308232 885897659 /nfs/dbraw/zinc/89/76/59/885897659.db2.gz RTGHIIWZEYZXAU-UHFFFAOYSA-N 0 0 422.370 4.201 20 30 HIEDRN COCCCC[C@H](NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccccc1 ZINC000471327961 885924195 /nfs/dbraw/zinc/92/41/95/885924195.db2.gz NDKOJRDWWNMCDA-GOTSBHOMSA-N 0 0 420.557 4.152 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H](C)c3nc4ccccc4s3)C2)n1 ZINC000471353724 885970241 /nfs/dbraw/zinc/97/02/41/885970241.db2.gz NZCNLGWNLCJCTL-AEFFLSMTSA-N 0 0 419.554 4.307 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000504087538 912995241 /nfs/dbraw/zinc/99/52/41/912995241.db2.gz OCXRPRKPJNWOOH-UHFFFAOYSA-N 0 0 407.514 4.194 20 30 HIEDRN Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)nn1-c1cccc(C#N)c1 ZINC000504088043 912998804 /nfs/dbraw/zinc/99/88/04/912998804.db2.gz AJHNHDOIKJOXFA-UHFFFAOYSA-N 0 0 410.437 4.195 20 30 HIEDRN Cn1cnc(-c2ccc(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)cc2)n1 ZINC000504090417 913001001 /nfs/dbraw/zinc/00/10/01/913001001.db2.gz PLQSGBKRJSVOBH-UHFFFAOYSA-N 0 0 423.476 4.379 20 30 HIEDRN C=CCN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1nc(C(=O)OCC)cs1 ZINC000504091057 913002924 /nfs/dbraw/zinc/00/29/24/913002924.db2.gz RLEPBLOKAXVFTL-QGZVFWFLSA-N 0 0 400.500 4.047 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N(c2ccccc2F)C2CCCC2)cc1 ZINC000471414905 886069267 /nfs/dbraw/zinc/06/92/67/886069267.db2.gz DPEGTINTZBJZRJ-UHFFFAOYSA-N 0 0 414.502 4.493 20 30 HIEDRN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)o1 ZINC000471421109 886075772 /nfs/dbraw/zinc/07/57/72/886075772.db2.gz AFMIQMJHVDDHMZ-TZIWHRDSSA-N 0 0 406.530 4.387 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(N4CCCCCC4)c3)C2)n1 ZINC000471428903 886084906 /nfs/dbraw/zinc/08/49/06/886084906.db2.gz UVJDNQOEIRVZHC-OAQYLSRUSA-N 0 0 417.557 4.497 20 30 HIEDRN C=CCn1c(SC[C@H](O)COc2cccc3[nH]ccc32)nnc1-c1ccccc1F ZINC000471429783 886085912 /nfs/dbraw/zinc/08/59/12/886085912.db2.gz ZJZBRCZKYBMDHR-OAHLLOKOSA-N 0 0 424.501 4.284 20 30 HIEDRN Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)nn1CCC#N ZINC000504094993 913005739 /nfs/dbraw/zinc/00/57/39/913005739.db2.gz DRVTVJIASOLJPG-UHFFFAOYSA-N 0 0 410.481 4.269 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(N4CCC(C)CC4)c3)C2)n1 ZINC000471430468 886088310 /nfs/dbraw/zinc/08/83/10/886088310.db2.gz DPEXUKXMCNJVHJ-OAQYLSRUSA-N 0 0 417.557 4.353 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000504095915 913006544 /nfs/dbraw/zinc/00/65/44/913006544.db2.gz RSLSRDQWZSNUDE-XZOQPEGZSA-N 0 0 418.545 4.294 20 30 HIEDRN CC[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](CC)CN1C(C)=O ZINC000471437085 886097118 /nfs/dbraw/zinc/09/71/18/886097118.db2.gz QNOSFSRNXTUTJQ-SFTDATJTSA-N 0 0 405.498 4.212 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000471437448 886097182 /nfs/dbraw/zinc/09/71/82/886097182.db2.gz SNSCGHTZCKTSGT-SFHVURJKSA-N 0 0 420.538 4.068 20 30 HIEDRN CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)s1 ZINC000471437855 886098921 /nfs/dbraw/zinc/09/89/21/886098921.db2.gz VPIUTUACTQNULV-FUHWJXTLSA-N 0 0 411.575 4.025 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000471493138 886191953 /nfs/dbraw/zinc/19/19/53/886191953.db2.gz KXAGJJLTNISGIP-KRWDZBQOSA-N 0 0 405.458 4.239 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000471502982 886203661 /nfs/dbraw/zinc/20/36/61/886203661.db2.gz DITNZRMGEXNKCH-FPOVZHCZSA-N 0 0 407.489 4.305 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000471502983 886204779 /nfs/dbraw/zinc/20/47/79/886204779.db2.gz DITNZRMGEXNKCH-PZJWPPBQSA-N 0 0 407.489 4.305 20 30 HIEDRN C=CCN(C(=O)c1cnc2c(F)cccc2c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000504111317 913020889 /nfs/dbraw/zinc/02/08/89/913020889.db2.gz PQZWOWLSLLZEQW-OAQYLSRUSA-N 0 0 406.457 4.177 20 30 HIEDRN COC[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000471611120 886326140 /nfs/dbraw/zinc/32/61/40/886326140.db2.gz OTBBXYKCNAYANF-HSZRJFAPSA-N 0 0 400.478 4.125 20 30 HIEDRN N#Cc1ccc(-c2nnc(CNc3ccc(Cl)cc3C(=O)N3CCCC3)o2)cc1 ZINC000471616333 886331785 /nfs/dbraw/zinc/33/17/85/886331785.db2.gz AUZBBOFMGAOBDR-UHFFFAOYSA-N 0 0 407.861 4.110 20 30 HIEDRN COC[C@H](Cc1ccccc1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000471615886 886331904 /nfs/dbraw/zinc/33/19/04/886331904.db2.gz YRAYBFPJMLUFIK-QHCPKHFHSA-N 0 0 400.478 4.125 20 30 HIEDRN COc1cc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccc1F ZINC000471620541 886338159 /nfs/dbraw/zinc/33/81/59/886338159.db2.gz SRNRVZKBBVHCED-UHFFFAOYSA-N 0 0 412.442 4.086 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000471632492 886351330 /nfs/dbraw/zinc/35/13/30/886351330.db2.gz GAHNKSBWKLYJJW-MRXNPFEDSA-N 0 0 415.497 4.401 20 30 HIEDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000471638067 886354689 /nfs/dbraw/zinc/35/46/89/886354689.db2.gz HPDUCDACVYAHFC-IAGOWNOFSA-N 0 0 415.497 4.338 20 30 HIEDRN N#Cc1ccc(-c2nnc(CNc3cc(Cl)ccc3C(=O)N3CCCCC3)o2)cc1 ZINC000471640461 886357378 /nfs/dbraw/zinc/35/73/78/886357378.db2.gz YZTDBJGDCUGGFS-UHFFFAOYSA-N 0 0 421.888 4.500 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)CCSc3ccccc3Cl)C2=O)cc1 ZINC000504141562 913039459 /nfs/dbraw/zinc/03/94/59/913039459.db2.gz POKCVIJZCMHHQQ-GOSISDBHSA-N 0 0 413.930 4.006 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Nc3nnc(/C=C\c4ccco4)s3)CC2)cc1 ZINC000504149738 913045431 /nfs/dbraw/zinc/04/54/31/913045431.db2.gz FYXMUFQNHXCMLT-FPLPWBNLSA-N 0 0 403.467 4.494 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000471755413 886484845 /nfs/dbraw/zinc/48/48/45/886484845.db2.gz DVXITLJWIOKFLF-UHFFFAOYSA-N 0 0 404.348 4.090 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(OC)cc2)c1CC ZINC000471767646 886500253 /nfs/dbraw/zinc/50/02/53/886500253.db2.gz HQCCIAIBGSZCRQ-UHFFFAOYSA-N 0 0 400.482 4.143 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)CCc3cccc4c3OCO4)cc2)c1 ZINC000471777594 886510569 /nfs/dbraw/zinc/51/05/69/886510569.db2.gz AOOUIGBQRJUVEJ-UHFFFAOYSA-N 0 0 400.434 4.437 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3ccc(-c4ccccc4)o3)C2)n1 ZINC000471783555 886515421 /nfs/dbraw/zinc/51/54/21/886515421.db2.gz XFMGPZMLDRYJMX-FQEVSTJZSA-N 0 0 400.482 4.055 20 30 HIEDRN CCc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccccc1C ZINC000471845128 886608859 /nfs/dbraw/zinc/60/88/59/886608859.db2.gz NCPSODFROSNWAU-UHFFFAOYSA-N 0 0 414.509 4.298 20 30 HIEDRN COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H](C#N)Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000471860112 886633673 /nfs/dbraw/zinc/63/36/73/886633673.db2.gz LOYGNLMNUAFRJI-HXUWFJFHSA-N 0 0 412.493 4.137 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3scnc3-c3ccccc3)C2)n1 ZINC000471862857 886637803 /nfs/dbraw/zinc/63/78/03/886637803.db2.gz CSOWYETWZRABPC-SFHVURJKSA-N 0 0 403.511 4.240 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471871744 886650310 /nfs/dbraw/zinc/65/03/10/886650310.db2.gz MTNLOSVYUKWAEB-QFIPXVFZSA-N 0 0 411.509 4.010 20 30 HIEDRN CCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000471873901 886653252 /nfs/dbraw/zinc/65/32/52/886653252.db2.gz PXUBIGZNYMLWSF-XLIONFOSSA-N 0 0 408.571 4.468 20 30 HIEDRN CCCc1cccc(C(C)C)c1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471888104 886667896 /nfs/dbraw/zinc/66/78/96/886667896.db2.gz YSGAXIWZNZSPLN-UHFFFAOYSA-N 0 0 408.550 4.030 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H](c3ccccc3)C(F)(F)F)C2)n1 ZINC000471890472 886671635 /nfs/dbraw/zinc/67/16/35/886671635.db2.gz XZGBWFRSOQASND-OALUTQOASA-N 0 0 416.447 4.240 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3cccc(COC(C)(C)C)c3)C2)n1 ZINC000471907034 886690147 /nfs/dbraw/zinc/69/01/47/886690147.db2.gz SJMPNHAJAGLJRH-JOCHJYFZSA-N 0 0 420.557 4.110 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)CC(C)(C)c3ccccc3)C2)n1 ZINC000471911289 886697517 /nfs/dbraw/zinc/69/75/17/886697517.db2.gz PORKWONTOGDGJG-TZIWHRDSSA-N 0 0 404.558 4.351 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)c3nc(C(C)(C)C)cs3)C2)n1 ZINC000471934052 886730617 /nfs/dbraw/zinc/73/06/17/886730617.db2.gz ASIKYQFSNVJDJH-WBVHZDCISA-N 0 0 411.575 4.110 20 30 HIEDRN CCOc1ccccc1[C@H](CC)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471936124 886734904 /nfs/dbraw/zinc/73/49/04/886734904.db2.gz IHOYEGOFGGHNRR-CTNGQTDRSA-N 0 0 406.530 4.144 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000472018626 886840989 /nfs/dbraw/zinc/84/09/89/886840989.db2.gz NTVFFXNHBGRFBV-XMMPIXPASA-N 0 0 400.434 4.002 20 30 HIEDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)N[C@H](CCC#N)c2ccccc2)sc1C ZINC000472044762 886860840 /nfs/dbraw/zinc/86/08/40/886860840.db2.gz VCERBGUUDOFLAK-SJORKVTESA-N 0 0 412.515 4.130 20 30 HIEDRN CN(C)c1ccc(-c2cncc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)c2)cc1 ZINC000472073686 886877169 /nfs/dbraw/zinc/87/71/69/886877169.db2.gz NQHPARUFDCVDIU-UHFFFAOYSA-N 0 0 408.465 4.124 20 30 HIEDRN COc1ccc(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(Cl)c1 ZINC000472166935 886966813 /nfs/dbraw/zinc/96/68/13/886966813.db2.gz AJCMGHCTPQRTDB-UHFFFAOYSA-N 0 0 407.857 4.380 20 30 HIEDRN Cc1cc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)nn1CCC#N ZINC000504228733 913101148 /nfs/dbraw/zinc/10/11/48/913101148.db2.gz AMRHSLWTADSWPS-UHFFFAOYSA-N 0 0 401.445 4.500 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000472202363 887003354 /nfs/dbraw/zinc/00/33/54/887003354.db2.gz AKUGGGXAVHUIKQ-GOSISDBHSA-N 0 0 400.276 4.085 20 30 HIEDRN CC(C)c1nc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)nn1-c1ccccc1Cl ZINC000472259425 887072806 /nfs/dbraw/zinc/07/28/06/887072806.db2.gz OXZKQGYVWAREID-QHCPKHFHSA-N 0 0 419.916 4.225 20 30 HIEDRN CN(C(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1)c1ccccc1 ZINC000472263664 887076802 /nfs/dbraw/zinc/07/68/02/887076802.db2.gz OBFONDUYMIQWAR-AREMUKBSSA-N 0 0 409.489 4.144 20 30 HIEDRN CC(C)c1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c2cnn(C(C)C)c2n1 ZINC000472264341 887078443 /nfs/dbraw/zinc/07/84/43/887078443.db2.gz PENVFGWPVAZJJQ-XMMPIXPASA-N 0 0 401.514 4.317 20 30 HIEDRN N#C[C@]1(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)CCc2ccccc2C1 ZINC000472271917 887086097 /nfs/dbraw/zinc/08/60/97/887086097.db2.gz COXHWJUOPBDDSA-DEOSSOPVSA-N 0 0 412.518 4.173 20 30 HIEDRN N#C[C@@]1(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CCc2ccccc2C1 ZINC000472277008 887093925 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N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000472320607 887153411 /nfs/dbraw/zinc/15/34/11/887153411.db2.gz LLWSTKDHBRAHPK-KRWDZBQOSA-N 0 0 419.890 4.426 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000472375172 887214078 /nfs/dbraw/zinc/21/40/78/887214078.db2.gz LKJAHXMJHSOIRG-RPWUZVMVSA-N 0 0 402.542 4.384 20 30 HIEDRN Cc1cccc(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1 ZINC000472385835 887230015 /nfs/dbraw/zinc/23/00/15/887230015.db2.gz IHHFDOXMFJKLDL-UHFFFAOYSA-N 0 0 402.473 4.355 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C ZINC000472404420 887252993 /nfs/dbraw/zinc/25/29/93/887252993.db2.gz DHKJHRWHBYLBRU-SFHVURJKSA-N 0 0 420.488 4.093 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000472441993 887292528 /nfs/dbraw/zinc/29/25/28/887292528.db2.gz FXXJSUWKGSBIIV-RBBKRZOGSA-N 0 0 420.509 4.260 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2-n2nc(C)cc2C)c1C#N ZINC000472443464 887293214 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C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000472854607 887708731 /nfs/dbraw/zinc/70/87/31/887708731.db2.gz VHRTWHUQWICKCV-UHFFFAOYSA-N 0 0 405.267 4.132 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000472862367 887716645 /nfs/dbraw/zinc/71/66/45/887716645.db2.gz YWDUBIZQDSXXGX-UHFFFAOYSA-N 0 0 416.525 4.306 20 30 HIEDRN O=C(Nc1ccccc1C#Cc1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000472882556 887733972 /nfs/dbraw/zinc/73/39/72/887733972.db2.gz BVYCNOOWKMOENT-UHFFFAOYSA-N 0 0 413.477 4.106 20 30 HIEDRN CN(C)C(=O)c1cccc(CCNC(=O)Nc2ccccc2C#Cc2ccccc2)c1 ZINC000472885197 887735794 /nfs/dbraw/zinc/73/57/94/887735794.db2.gz UAHQVYGVKNFTDJ-UHFFFAOYSA-N 0 0 411.505 4.152 20 30 HIEDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000472942695 887792570 /nfs/dbraw/zinc/79/25/70/887792570.db2.gz STZKIXFTLDEPTR-SCLBCKFNSA-N 0 0 417.387 4.088 20 30 HIEDRN CSc1ccccc1CN(C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000472956893 887805508 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20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H](C)c2cncs2)nnc1-c1ccc(Cl)cc1 ZINC000473170608 887947754 /nfs/dbraw/zinc/94/77/54/887947754.db2.gz FOOORBQCCMZYIJ-LBPRGKRZSA-N 0 0 419.963 4.211 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000473173380 887950507 /nfs/dbraw/zinc/95/05/07/887950507.db2.gz WEDBQOQVYPOMEK-GYCJOSAFSA-N 0 0 421.566 4.347 20 30 HIEDRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC ZINC000473201633 887979171 /nfs/dbraw/zinc/97/91/71/887979171.db2.gz NATKEUSYEFFOEK-LJQANCHMSA-N 0 0 423.513 4.198 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000473290358 888043313 /nfs/dbraw/zinc/04/33/13/888043313.db2.gz GIIHWRYDIVUUPS-QGZVFWFLSA-N 0 0 412.493 4.366 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000473298746 888050567 /nfs/dbraw/zinc/05/05/67/888050567.db2.gz DVDVKZMRICVSDW-OAQYLSRUSA-N 0 0 421.884 4.144 20 30 HIEDRN C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000473303884 888054545 /nfs/dbraw/zinc/05/45/45/888054545.db2.gz AEMYKZRTLKIFTL-GFCCVEGCSA-N 0 0 423.822 4.479 20 30 HIEDRN C=CCCCCNC(=O)C(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC ZINC000473340543 888072844 /nfs/dbraw/zinc/07/28/44/888072844.db2.gz AKSBHNPFQWQUQY-UHFFFAOYSA-N 0 0 400.450 4.346 20 30 HIEDRN CCC1(CNC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCCC1 ZINC000473360297 888082744 /nfs/dbraw/zinc/08/27/44/888082744.db2.gz XUYBGEIAQROIQC-UHFFFAOYSA-N 0 0 419.525 4.357 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000473373576 888091026 /nfs/dbraw/zinc/09/10/26/888091026.db2.gz ZWZZOHDNEIPHKY-UHFFFAOYSA-N 0 0 422.554 4.048 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)c1c(F)cccc1F ZINC000473377575 888094315 /nfs/dbraw/zinc/09/43/15/888094315.db2.gz CSVIRMCUVSKZKT-CQSZACIVSA-N 0 0 421.403 4.445 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000473386899 888100611 /nfs/dbraw/zinc/10/06/11/888100611.db2.gz HNDRAWYUXWOBCQ-QHCPKHFHSA-N 0 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N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(OC3CCC3)cc2)CC1 ZINC000473567780 888309363 /nfs/dbraw/zinc/30/93/63/888309363.db2.gz KCTKLXWMLLIXKF-QFIPXVFZSA-N 0 0 409.917 4.294 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000473572635 888313009 /nfs/dbraw/zinc/31/30/09/888313009.db2.gz VOLSNOGJLFECSF-ABSDTBQOSA-N 0 0 415.871 4.131 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2sccc2OC(F)F)CC1 ZINC000473573036 888313647 /nfs/dbraw/zinc/31/36/47/888313647.db2.gz XGCUWTMMFVSXLN-AWEZNQCLSA-N 0 0 411.861 4.026 20 30 HIEDRN COc1cc(Cl)ccc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473574516 888315679 /nfs/dbraw/zinc/31/56/79/888315679.db2.gz FAGLQGTUGNFMFQ-SFHVURJKSA-N 0 0 404.297 4.025 20 30 HIEDRN Cc1nc(CC(C)C)sc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473574997 888315971 /nfs/dbraw/zinc/31/59/71/888315971.db2.gz ZHONJBVFPZXFOU-GOSISDBHSA-N 0 0 416.978 4.326 20 30 HIEDRN CCOc1ccc(CCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000473574921 888316121 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HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(N(CC)CC)nc1 ZINC000475392376 890320255 /nfs/dbraw/zinc/32/02/55/890320255.db2.gz RHQOHEVJBXUXNY-UHFFFAOYSA-N 0 0 408.546 4.035 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1cc2cccc(F)c2o1 ZINC000475414462 890340250 /nfs/dbraw/zinc/34/02/50/890340250.db2.gz DILYYUBUUHIETB-AWEZNQCLSA-N 0 0 409.417 4.070 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3)CC2)cc1 ZINC000504712910 913447984 /nfs/dbraw/zinc/44/79/84/913447984.db2.gz SRZQQUOBBQBRPY-UHFFFAOYSA-N 0 0 406.873 4.081 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000475473578 890381300 /nfs/dbraw/zinc/38/13/00/890381300.db2.gz RWBSNWFNMITRPH-QHCPKHFHSA-N 0 0 411.461 4.480 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2sc(CC3CC3)nc2C)c1C#N ZINC000475473675 890381731 /nfs/dbraw/zinc/38/17/31/890381731.db2.gz SMDDWDJNQFCHQW-UHFFFAOYSA-N 0 0 409.540 4.436 20 30 HIEDRN COCCOc1cccc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000475483530 890388369 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Cn1cc([C@H](NCC#Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000478307698 893528793 /nfs/dbraw/zinc/52/87/93/893528793.db2.gz PDBMJIGHSSWLBG-HXUWFJFHSA-N 0 0 403.379 4.189 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cnc(Cc3ccccc3F)s2)n1 ZINC000478311073 893534081 /nfs/dbraw/zinc/53/40/81/893534081.db2.gz VQYJEWDXXBSNHS-UHFFFAOYSA-N 0 0 421.432 4.322 20 30 HIEDRN CC[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000478366311 893625398 /nfs/dbraw/zinc/62/53/98/893625398.db2.gz DHFQLCOMUKFZAH-FDDCHVKYSA-N 0 0 408.523 4.120 20 30 HIEDRN C[C@H](NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cccn2)cc1 ZINC000478393841 893673260 /nfs/dbraw/zinc/67/32/60/893673260.db2.gz BNHLAPRZAKFWJK-INIZCTEOSA-N 0 0 412.415 4.303 20 30 HIEDRN COc1ccccc1[C@H]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000478394958 893676188 /nfs/dbraw/zinc/67/61/88/893676188.db2.gz GVOSDUGJSLLMNK-KRWDZBQOSA-N 0 0 402.416 4.265 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1 ZINC000478407089 893693726 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WXYQPUDQTIRXKI-IBGZPJMESA-N 0 0 404.441 4.071 20 30 HIEDRN C=C(C)[C@@H](NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1)c1ccc(F)c(F)c1 ZINC000478914336 894195408 /nfs/dbraw/zinc/19/54/08/894195408.db2.gz ZLKTXRLQWUZCOF-LJQANCHMSA-N 0 0 422.501 4.167 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c2ccccc21 ZINC000505150108 913845044 /nfs/dbraw/zinc/84/50/44/913845044.db2.gz BZKLDUZCAPUCDD-LJQANCHMSA-N 0 0 415.541 4.498 20 30 HIEDRN CN1Cc2cc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)ccc2NC1=O ZINC000478972332 894249983 /nfs/dbraw/zinc/24/99/83/894249983.db2.gz QOKVAJQYLHVVOH-UHFFFAOYSA-N 0 0 412.449 4.367 20 30 HIEDRN CCc1cccc(CC)c1NC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000479058841 894318995 /nfs/dbraw/zinc/31/89/95/894318995.db2.gz UBCHNLFGHWXPQI-UHFFFAOYSA-N 0 0 419.525 4.128 20 30 HIEDRN Cc1sc2nc(CS[C@H](C)C(=O)N(CCC#N)CCC(C)C)[nH]c(=O)c2c1C ZINC000505169717 913858234 /nfs/dbraw/zinc/85/82/34/913858234.db2.gz RXDAMDRHUPNOMJ-OAHLLOKOSA-N 0 0 420.604 4.424 20 30 HIEDRN N#C[C@@H]1CN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CCN1Cc1ccccc1 ZINC000479086075 894352363 /nfs/dbraw/zinc/35/23/63/894352363.db2.gz RGNZLOAAEQTTCF-MRXNPFEDSA-N 0 0 413.308 4.325 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Br)cc1OCC ZINC000479087846 894354021 /nfs/dbraw/zinc/35/40/21/894354021.db2.gz BDYDULAGDBSXGV-UHFFFAOYSA-N 0 0 423.332 4.063 20 30 HIEDRN CC(C)(C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1cc(F)cc(C#N)c1 ZINC000505174573 913862833 /nfs/dbraw/zinc/86/28/33/913862833.db2.gz IIOJXUMYVXBTGM-UHFFFAOYSA-N 0 0 405.926 4.034 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000479159018 894429516 /nfs/dbraw/zinc/42/95/16/894429516.db2.gz GUODOQDNCDDQGG-QHCPKHFHSA-N 0 0 400.434 4.270 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C4CC4)c4cc(F)ccc43)o2)cc1 ZINC000479172554 894441448 /nfs/dbraw/zinc/44/14/48/894441448.db2.gz UWHUSSLWAAHRBM-UHFFFAOYSA-N 0 0 417.440 4.499 20 30 HIEDRN COc1ccc(CN(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1C ZINC000479195842 894462678 /nfs/dbraw/zinc/46/26/78/894462678.db2.gz RWJVHAZCYVJZEX-UHFFFAOYSA-N 0 0 407.514 4.407 20 30 HIEDRN CC(C)(C#N)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000479246563 894510668 /nfs/dbraw/zinc/51/06/68/894510668.db2.gz OGARAFRSKSMIPC-GOSISDBHSA-N 0 0 416.978 4.350 20 30 HIEDRN Cc1nc(-c2cccs2)sc1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479256147 894523509 /nfs/dbraw/zinc/52/35/09/894523509.db2.gz YMOPBHHQRGKCGK-UHFFFAOYSA-N 0 0 422.579 4.468 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 ZINC000479286210 894565389 /nfs/dbraw/zinc/56/53/89/894565389.db2.gz MOQUEGAHMNIXCD-GOSISDBHSA-N 0 0 415.559 4.026 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 ZINC000479286827 894567546 /nfs/dbraw/zinc/56/75/46/894567546.db2.gz MEMMAGWNQGHPPJ-MRXNPFEDSA-N 0 0 419.522 4.123 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000505207783 913884370 /nfs/dbraw/zinc/88/43/70/913884370.db2.gz VSPUBNSQAHNQSP-UHFFFAOYSA-N 0 0 417.506 4.028 20 30 HIEDRN C=CCN(CCOC)C(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000479333893 894628142 /nfs/dbraw/zinc/62/81/42/894628142.db2.gz HZVDOWIASBJMON-UHFFFAOYSA-N 0 0 409.408 4.237 20 30 HIEDRN C[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000479359717 894657729 /nfs/dbraw/zinc/65/77/29/894657729.db2.gz OCJKVXIGTPBCBC-IUODEOHRSA-N 0 0 409.433 4.429 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NCc2cccc(Cl)c2S(=O)(=O)CC)cc1 ZINC000479396900 894698940 /nfs/dbraw/zinc/69/89/40/894698940.db2.gz JWNSSWNTLXRHKX-UHFFFAOYSA-N 0 0 407.923 4.053 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2N[C@H]2CCCN(c3ncccn3)C2)c1Br ZINC000479400720 894705407 /nfs/dbraw/zinc/70/54/07/894705407.db2.gz SHCTWLCUVJUDIA-HNNXBMFYSA-N 0 0 423.318 4.048 20 30 HIEDRN COc1ccc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OCCCC#N ZINC000479416549 894727435 /nfs/dbraw/zinc/72/74/35/894727435.db2.gz FDMHXECAIHBLAV-HSZRJFAPSA-N 0 0 408.477 4.130 20 30 HIEDRN N#Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000505242459 913900348 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896772610 /nfs/dbraw/zinc/77/26/10/896772610.db2.gz SZOHERLQIQOJQP-UHFFFAOYSA-N 0 0 405.252 4.281 20 30 HIEDRN C=CCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1ccccc1C ZINC000481377805 896774051 /nfs/dbraw/zinc/77/40/51/896774051.db2.gz TWWANJOSVXKVFU-UHFFFAOYSA-N 0 0 406.555 4.499 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(SC)cc2)nnc1-c1ccccn1 ZINC000481388762 896791482 /nfs/dbraw/zinc/79/14/82/896791482.db2.gz GARQIUMRINMBAY-CQSZACIVSA-N 0 0 411.556 4.367 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccc(OC)c1 ZINC000481392043 896796825 /nfs/dbraw/zinc/79/68/25/896796825.db2.gz KCYUXJGHXODWEN-FCEWJHQRSA-N 0 0 414.575 4.315 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H](C)c2cccs2)nnc1-c1cccc(OC)c1 ZINC000481391457 896797499 /nfs/dbraw/zinc/79/74/99/896797499.db2.gz HQBCRLNCVVOYBT-AWEZNQCLSA-N 0 0 414.556 4.171 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cnccn1 ZINC000481397595 896804716 /nfs/dbraw/zinc/80/47/16/896804716.db2.gz FGJYCCYFOCDSKO-UHFFFAOYSA-N 0 0 408.531 4.084 20 30 HIEDRN Cn1c2ccccc2nc1[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000481398308 896804889 /nfs/dbraw/zinc/80/48/89/896804889.db2.gz DXMOKOKIVQFCRB-XMMPIXPASA-N 0 0 409.493 4.153 20 30 HIEDRN C=CCn1c(SCc2c(F)cccc2[N+](=O)[O-])nnc1-c1cccc(OC)c1 ZINC000481402613 896809384 /nfs/dbraw/zinc/80/93/84/896809384.db2.gz NSKXCHPKIFHHIQ-UHFFFAOYSA-N 0 0 400.435 4.479 20 30 HIEDRN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000481413928 896818280 /nfs/dbraw/zinc/81/82/80/896818280.db2.gz VCFJWXPNKIIPLM-OCCSQVGLSA-N 0 0 420.300 4.057 20 30 HIEDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H]1C ZINC000481418612 896821524 /nfs/dbraw/zinc/82/15/24/896821524.db2.gz KHECPQDFZSGLCA-WHSLLNHNSA-N 0 0 423.488 4.156 20 30 HIEDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H]1C ZINC000481418613 896821916 /nfs/dbraw/zinc/82/19/16/896821916.db2.gz KHECPQDFZSGLCA-XFQAVAEZSA-N 0 0 423.488 4.156 20 30 HIEDRN N#CCCN(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 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Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000481829326 897198617 /nfs/dbraw/zinc/19/86/17/897198617.db2.gz JTDBZRYRVSXHRH-UHFFFAOYSA-N 0 0 408.424 4.150 20 30 HIEDRN CCC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000481845604 897212104 /nfs/dbraw/zinc/21/21/04/897212104.db2.gz HZZFXWMKCPBCAL-GOSISDBHSA-N 0 0 404.470 4.039 20 30 HIEDRN CC[C@H]1CN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)CCO1 ZINC000481851800 897217291 /nfs/dbraw/zinc/21/72/91/897217291.db2.gz FVOJUVWSLSAEBB-SFHVURJKSA-N 0 0 413.543 4.276 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@H]2CCC[C@H](SCC)C2)nnc1-c1ccco1 ZINC000481888266 897263841 /nfs/dbraw/zinc/26/38/41/897263841.db2.gz BXERAZLIRYRABI-HOTGVXAUSA-N 0 0 420.604 4.387 20 30 HIEDRN Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c2cnn(C(C)C)c2n1 ZINC000481921248 897306188 /nfs/dbraw/zinc/30/61/88/897306188.db2.gz NSFCPSYNFVBVLA-UHFFFAOYSA-N 0 0 417.391 4.386 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000481976694 897369336 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HIEDRN COc1cc([C@@H](C#N)NC(=O)c2ccccc2CCC(F)(F)F)cc(OC)c1OC ZINC000505520686 914212253 /nfs/dbraw/zinc/21/22/53/914212253.db2.gz QZCOZIUWNQOSJU-MRXNPFEDSA-N 0 0 422.403 4.202 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1 ZINC000482464102 898038684 /nfs/dbraw/zinc/03/86/84/898038684.db2.gz OHYXMLHURSZJFT-QFIPXVFZSA-N 0 0 418.603 4.315 20 30 HIEDRN CCCC[C@H](NC(=O)c1cccc(CC#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000505522811 914215116 /nfs/dbraw/zinc/21/51/16/914215116.db2.gz FNTUDSIDFXSDIW-QHCPKHFHSA-N 0 0 418.541 4.280 20 30 HIEDRN COCCOc1ccc(Cl)cc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000482477109 898054859 /nfs/dbraw/zinc/05/48/59/898054859.db2.gz HGJREMILPIZKQL-UHFFFAOYSA-N 0 0 411.807 4.166 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nc3cc(F)ccc3[nH]2)cc1C ZINC000482511396 898096769 /nfs/dbraw/zinc/09/67/69/898096769.db2.gz OLUZXYFILVTFGB-UHFFFAOYSA-N 0 0 416.460 4.026 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(F)ccc3OCC3CC3)C2)n1 ZINC000482515094 898102449 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HIEDRN N#C[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000505539296 914235292 /nfs/dbraw/zinc/23/52/92/914235292.db2.gz GJCZWVKMAPYSHA-CYBMUJFWSA-N 0 0 412.070 4.320 20 30 HIEDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC#N)CC(F)(F)F)cc12 ZINC000482659701 898262680 /nfs/dbraw/zinc/26/26/80/898262680.db2.gz KMHZXIGLZAQXJF-UHFFFAOYSA-N 0 0 406.433 4.373 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](CC(=O)N(CCC#N)CC(F)(F)F)c2ccccc2)cc1 ZINC000482661496 898263890 /nfs/dbraw/zinc/26/38/90/898263890.db2.gz WSFRYEHDRRSDGR-LJQANCHMSA-N 0 0 417.431 4.161 20 30 HIEDRN N#C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1c(Cl)cccc1Cl ZINC000505540120 914236189 /nfs/dbraw/zinc/23/61/89/914236189.db2.gz LMWOXYYILQCVDN-HNNXBMFYSA-N 0 0 403.294 4.435 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1c(Cl)cccc1Cl ZINC000505541337 914238111 /nfs/dbraw/zinc/23/81/11/914238111.db2.gz XJPGPWUFCCXMFP-KRWDZBQOSA-N 0 0 402.281 4.110 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000505547786 914246794 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C=CCN(CC1CCCCC1)C(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 ZINC000482883301 898497682 /nfs/dbraw/zinc/49/76/82/898497682.db2.gz YBIVFTIQLSSCNC-SFHVURJKSA-N 0 0 415.603 4.393 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@H]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000482886423 898500562 /nfs/dbraw/zinc/50/05/62/898500562.db2.gz GWJKYWSTVHKJKL-OALUTQOASA-N 0 0 407.489 4.305 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482902960 898521074 /nfs/dbraw/zinc/52/10/74/898521074.db2.gz RWDHXVOUXJCVDJ-OAQYLSRUSA-N 0 0 403.461 4.049 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)CSc1nnc(C)n1-c1cccc(OC)c1 ZINC000482908914 898527404 /nfs/dbraw/zinc/52/74/04/898527404.db2.gz CTMGRTZJEXGUKP-UHFFFAOYSA-N 0 0 414.575 4.271 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000482917869 898534854 /nfs/dbraw/zinc/53/48/54/898534854.db2.gz PKGBPSWFRJLYAT-HXUWFJFHSA-N 0 0 411.477 4.158 20 30 HIEDRN N#Cc1ccc(SCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 ZINC000482927363 898548571 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Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000483083017 898768575 /nfs/dbraw/zinc/76/85/75/898768575.db2.gz CGMPQACFESYMGF-AVRDEDQJSA-N 0 0 418.497 4.182 20 30 HIEDRN N#Cc1cc(F)ccc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000483184381 898846769 /nfs/dbraw/zinc/84/67/69/898846769.db2.gz RKRHXQVDPJCEGW-INIZCTEOSA-N 0 0 400.504 4.489 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(F)c(I)c1)c1nccc2ccccc21 ZINC000483207289 898859849 /nfs/dbraw/zinc/85/98/49/898859849.db2.gz DWNAQNXYPXELEK-AWEZNQCLSA-N 0 0 416.193 4.469 20 30 HIEDRN COc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)ccc1OCc1cscn1 ZINC000483221206 898866105 /nfs/dbraw/zinc/86/61/05/898866105.db2.gz QWISEIBTJKSPOW-MRXNPFEDSA-N 0 0 416.462 4.164 20 30 HIEDRN N#Cc1ccc(Br)c(CN[C@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000483228552 898872085 /nfs/dbraw/zinc/87/20/85/898872085.db2.gz DUGQJUPGCFDTIZ-OAHLLOKOSA-N 0 0 400.103 4.451 20 30 HIEDRN N#C[C@@H](C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483231718 898876033 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C=C(C)[C@H](NC(=O)N1CCC(c2noc(C3CC3)n2)CC1)c1ccc(F)c(F)c1 ZINC000483290795 898925129 /nfs/dbraw/zinc/92/51/29/898925129.db2.gz AAPCZWMHBSULEA-SFHVURJKSA-N 0 0 402.445 4.432 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1 ZINC000483294916 898927822 /nfs/dbraw/zinc/92/78/22/898927822.db2.gz XCMRJOIRUBHGKD-NRFANRHFSA-N 0 0 413.468 4.058 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000483320711 898948210 /nfs/dbraw/zinc/94/82/10/898948210.db2.gz FQSDRXDUUPRRDS-UHFFFAOYSA-N 0 0 401.467 4.381 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000505592780 914299419 /nfs/dbraw/zinc/29/94/19/914299419.db2.gz HOIMKLQIFFJCTM-UHFFFAOYSA-N 0 0 408.498 4.015 20 30 HIEDRN Cn1cc([C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c2ccc(F)cc2)cn1 ZINC000483334990 898964160 /nfs/dbraw/zinc/96/41/60/898964160.db2.gz CPNZMAUDXPHWCO-DNVJHFABSA-N 0 0 417.488 4.130 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 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CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000505788374 914453702 /nfs/dbraw/zinc/45/37/02/914453702.db2.gz AXXFUSMJWIQBTI-JHVJFLLYSA-N 0 0 409.917 4.020 20 30 HIEDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000505789875 914455449 /nfs/dbraw/zinc/45/54/49/914455449.db2.gz JLHHHOXBAPFCSM-BONVTDFDSA-N 0 0 411.658 4.390 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1 ZINC000485298049 900576265 /nfs/dbraw/zinc/57/62/65/900576265.db2.gz AJJONWJXWXJDAS-HRAATJIYSA-N 0 0 415.497 4.017 20 30 HIEDRN Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1ccc(Oc3ccccc3C#N)c(F)c1)C2 ZINC000485305400 900583060 /nfs/dbraw/zinc/58/30/60/900583060.db2.gz OQXJKSUWRXACAL-UHFFFAOYSA-N 0 0 415.424 4.279 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000485307026 900584685 /nfs/dbraw/zinc/58/46/85/900584685.db2.gz XJBNCHZZOACXAX-UHFFFAOYSA-N 0 0 402.454 4.426 20 30 HIEDRN N#C[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000505791933 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0 0 422.554 4.144 20 30 HIEDRN N#C[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CCC[C@]12CCCCO2 ZINC000505830323 914483680 /nfs/dbraw/zinc/48/36/80/914483680.db2.gz BSHPNSUBBIWHCT-WBQJQJEBSA-N 0 0 408.420 4.143 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000505829714 914483997 /nfs/dbraw/zinc/48/39/97/914483997.db2.gz AARBBTWFSCEKOU-HXUWFJFHSA-N 0 0 403.442 4.073 20 30 HIEDRN N#C[C@@H](NC(=O)CCSc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000505830416 914484054 /nfs/dbraw/zinc/48/40/54/914484054.db2.gz CNKHZXWJSKAWAS-QGZVFWFLSA-N 0 0 402.903 4.365 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000485609131 900867463 /nfs/dbraw/zinc/86/74/63/900867463.db2.gz OTLNGZQPYRTKPO-YJYMSZOUSA-N 0 0 418.280 4.032 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@H]43)cc2)c1N ZINC000485613263 900871370 /nfs/dbraw/zinc/87/13/70/900871370.db2.gz KGJFFSIZEQKCPU-DNVJHFABSA-N 0 0 411.509 4.125 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)C2)n1 ZINC000505831718 914485173 /nfs/dbraw/zinc/48/51/73/914485173.db2.gz IKMWBCYAOWUCHF-UNMCSNQZSA-N 0 0 415.541 4.157 20 30 HIEDRN CCn1c(SCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 ZINC000505835465 914487897 /nfs/dbraw/zinc/48/78/97/914487897.db2.gz WZCRVHZSAINFQK-KRWDZBQOSA-N 0 0 423.542 4.329 20 30 HIEDRN CCOc1ccccc1[C@@H](CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)NC(C)=O ZINC000505835296 914488538 /nfs/dbraw/zinc/48/85/38/914488538.db2.gz WHGSBMOIHAAQJX-FGZHOGPDSA-N 0 0 421.541 4.331 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000505837973 914489467 /nfs/dbraw/zinc/48/94/67/914489467.db2.gz KLVSRCVACLMNDY-JOCHJYFZSA-N 0 0 424.566 4.018 20 30 HIEDRN CCOc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000505838344 914489610 /nfs/dbraw/zinc/48/96/10/914489610.db2.gz MHZXXCBIZSRSLE-KRWDZBQOSA-N 0 0 411.458 4.294 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCC[C@]12CCCCO2 ZINC000505836808 914489832 /nfs/dbraw/zinc/48/98/32/914489832.db2.gz DETJSTNGDNEYNA-SIKLNZKXSA-N 0 0 413.905 4.381 20 30 HIEDRN N#C[C@@H]1N(C(=O)CN(Cc2ccccc2)c2ccccc2)CCC[C@@]12CCCCO2 ZINC000505840675 914491211 /nfs/dbraw/zinc/49/12/11/914491211.db2.gz ZXQMPPIQUIYJLE-ZCYQVOJMSA-N 0 0 403.526 4.147 20 30 HIEDRN N#C[C@@H]1N(C(=O)CN(Cc2ccccc2)c2ccccc2)CCC[C@]12CCCCO2 ZINC000505840674 914491759 /nfs/dbraw/zinc/49/17/59/914491759.db2.gz ZXQMPPIQUIYJLE-UKILVPOCSA-N 0 0 403.526 4.147 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1C ZINC000485719688 900969007 /nfs/dbraw/zinc/96/90/07/900969007.db2.gz HGMQRYZYOYAGEE-TZIWHRDSSA-N 0 0 408.546 4.404 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Br)cc1 ZINC000485745843 901001017 /nfs/dbraw/zinc/00/10/17/901001017.db2.gz RNHDGYUQRDXWDY-CYBMUJFWSA-N 0 0 418.291 4.163 20 30 HIEDRN CSc1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)c1[N+](=O)[O-] ZINC000485754540 901010161 /nfs/dbraw/zinc/01/01/61/901010161.db2.gz FXUPYVAYFGPYPC-UHFFFAOYSA-N 0 0 409.389 4.393 20 30 HIEDRN CSc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1[N+](=O)[O-] ZINC000485756253 901013116 /nfs/dbraw/zinc/01/31/16/901013116.db2.gz KAURVFSINYBHLC-UHFFFAOYSA-N 0 0 410.480 4.488 20 30 HIEDRN C=CCN(C(=O)c1cc(Br)c(C)nc1OC)c1nc2c(s1)CCCC2 ZINC000485767620 901024743 /nfs/dbraw/zinc/02/47/43/901024743.db2.gz FDBSYWKFWKWIEU-UHFFFAOYSA-N 0 0 422.348 4.329 20 30 HIEDRN COC(=O)Cc1occ(C)c1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000485799296 901050440 /nfs/dbraw/zinc/05/04/40/901050440.db2.gz CAJJHAPPALMXKO-UHFFFAOYSA-N 0 0 420.440 4.157 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCCCCC(=O)C3)s2)cc1 ZINC000485864692 901104893 /nfs/dbraw/zinc/10/48/93/901104893.db2.gz SFDOHLKARWLANV-HNNXBMFYSA-N 0 0 400.529 4.180 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1ccccc1N1CCCC1 ZINC000485924272 901150525 /nfs/dbraw/zinc/15/05/25/901150525.db2.gz YPIIRNJXIFHFQW-MRXNPFEDSA-N 0 0 408.571 4.168 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000505865342 914513599 /nfs/dbraw/zinc/51/35/99/914513599.db2.gz AEZIKOKZKQHZGU-FQEVSTJZSA-N 0 0 422.916 4.036 20 30 HIEDRN Cn1ncc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1-n1cccc1 ZINC000486048119 901247926 /nfs/dbraw/zinc/24/79/26/901247926.db2.gz YHQCUFHHJJORLA-UHFFFAOYSA-N 0 0 411.465 4.108 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2cc(-c3ccnn3C)ccc2C)c1C ZINC000486057040 901252755 /nfs/dbraw/zinc/25/27/55/901252755.db2.gz XOFOONCWFVTIRI-UHFFFAOYSA-N 0 0 401.514 4.371 20 30 HIEDRN COc1cccc2c1n[nH]c2C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000486091371 901279929 /nfs/dbraw/zinc/27/99/29/901279929.db2.gz RKBJYULKAHWJKP-HXUWFJFHSA-N 0 0 412.449 4.145 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1 ZINC000486115317 901300426 /nfs/dbraw/zinc/30/04/26/901300426.db2.gz LCMCQSTZSGRQES-HOTGVXAUSA-N 0 0 410.522 4.015 20 30 HIEDRN Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C3)cc1 ZINC000486121950 901309183 /nfs/dbraw/zinc/30/91/83/901309183.db2.gz CPMCAWHRIFEPTE-UHFFFAOYSA-N 0 0 415.497 4.430 20 30 HIEDRN N#Cc1cccnc1Oc1ccccc1NCCCS(=O)(=O)c1ccc(F)cc1 ZINC000486128549 901315450 /nfs/dbraw/zinc/31/54/50/901315450.db2.gz YAZRJESTHHSMMG-UHFFFAOYSA-N 0 0 411.458 4.161 20 30 HIEDRN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC(C(F)F)CC2)c1C#N ZINC000486133330 901321050 /nfs/dbraw/zinc/32/10/50/901321050.db2.gz BQONHUKZHPOCIW-UHFFFAOYSA-N 0 0 404.436 4.021 20 30 HIEDRN C=C(C)[C@@H](CC(=O)N(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C)OCC ZINC000486146760 901334817 /nfs/dbraw/zinc/33/48/17/901334817.db2.gz FJAQXEHLOLPFSQ-OAQYLSRUSA-N 0 0 402.583 4.131 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc2c(cccc2Cl)s1 ZINC000486149238 901337114 /nfs/dbraw/zinc/33/71/14/901337114.db2.gz FUMWELIWMIJVCB-UHFFFAOYSA-N 0 0 410.890 4.052 20 30 HIEDRN C[C@H](Cc1cncc2ccccc21)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000486185152 901370973 /nfs/dbraw/zinc/37/09/73/901370973.db2.gz PYIRNDLHAMUCDX-QGZVFWFLSA-N 0 0 401.466 4.131 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CNc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486208963 901391375 /nfs/dbraw/zinc/39/13/75/901391375.db2.gz AJPAHLOJVJZCON-UHFFFAOYSA-N 0 0 415.471 4.019 20 30 HIEDRN C=CCSc1ccccc1C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000486248156 901431450 /nfs/dbraw/zinc/43/14/50/901431450.db2.gz CPQHQWISRYDDDN-UHFFFAOYSA-N 0 0 405.523 4.044 20 30 HIEDRN C=CCSc1ccccc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000486252625 901436069 /nfs/dbraw/zinc/43/60/69/901436069.db2.gz OLOXIQZOAAHTBV-SFHVURJKSA-N 0 0 400.931 4.496 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](COc3ccccc3)C2)c1C#N ZINC000505901790 914544260 /nfs/dbraw/zinc/54/42/60/914544260.db2.gz WKFYNCRKPJNUCV-HXUWFJFHSA-N 0 0 420.557 4.431 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(O)c(Br)c1 ZINC000486425807 901583797 /nfs/dbraw/zinc/58/37/97/901583797.db2.gz RVEXBNXROKRRKV-FUHWJXTLSA-N 0 0 414.303 4.136 20 30 HIEDRN Cc1c2cc(C)c(C)cc2sc1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000486461315 901621847 /nfs/dbraw/zinc/62/18/47/901621847.db2.gz PMUMVEZOSIOBHW-VOIUYBSRSA-N 0 0 415.518 4.312 20 30 HIEDRN CCc1c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)nnn1Cc1ccc(F)cc1 ZINC000486463002 901624228 /nfs/dbraw/zinc/62/42/28/901624228.db2.gz RWYNJVSVJMNPOR-HXUWFJFHSA-N 0 0 419.504 4.320 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 ZINC000505913608 914555759 /nfs/dbraw/zinc/55/57/59/914555759.db2.gz VEUHZBCTVCOBBD-XJKSGUPXSA-N 0 0 421.806 4.093 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000486531654 901681791 /nfs/dbraw/zinc/68/17/91/901681791.db2.gz BDFGHEGRPQVCKM-VSKRKVRLSA-N 0 0 412.497 4.329 20 30 HIEDRN CC(C)NC(=O)NCc1ccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000486571047 901715220 /nfs/dbraw/zinc/71/52/20/901715220.db2.gz BPDGPRQKQPGSEC-UHFFFAOYSA-N 0 0 422.573 4.219 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000486580974 901722742 /nfs/dbraw/zinc/72/27/42/901722742.db2.gz KZJXCTHSGPXYIU-QUCCMNQESA-N 0 0 402.416 4.378 20 30 HIEDRN N#C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1 ZINC000505918003 914560331 /nfs/dbraw/zinc/56/03/31/914560331.db2.gz WABFJLCTNXWPMZ-RDTXWAMCSA-N 0 0 402.281 4.265 20 30 HIEDRN CCc1ccccc1N1C[C@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1=O ZINC000505917356 914560917 /nfs/dbraw/zinc/56/09/17/914560917.db2.gz PFBICAFGCUWTLK-SJLPKXTDSA-N 0 0 415.415 4.002 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000505916852 914561054 /nfs/dbraw/zinc/56/10/54/914561054.db2.gz KFNMBPQLAWHKGH-ZWKOTPCHSA-N 0 0 420.271 4.118 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000486624316 901758529 /nfs/dbraw/zinc/75/85/29/901758529.db2.gz FAOYBABVLIFXCS-OAHLLOKOSA-N 0 0 420.359 4.050 20 30 HIEDRN N#C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1cccc(C(F)(F)F)c1 ZINC000505922100 914569918 /nfs/dbraw/zinc/56/99/18/914569918.db2.gz DUXXXNPZQAIVTK-LIRRHRJNSA-N 0 0 417.412 4.015 20 30 HIEDRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c12 ZINC000505922083 914569982 /nfs/dbraw/zinc/56/99/82/914569982.db2.gz DRGVJDYRVLUBFB-QGZVFWFLSA-N 0 0 413.403 4.168 20 30 HIEDRN COc1cc(Cl)c(Cl)cc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000486783054 901851073 /nfs/dbraw/zinc/85/10/73/901851073.db2.gz WLRLIHVRRYUFRI-UHFFFAOYSA-N 0 0 404.297 4.226 20 30 HIEDRN N#Cc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3)cc2)s1 ZINC000486789862 901856311 /nfs/dbraw/zinc/85/63/11/901856311.db2.gz WGQJEWCEVNOVIY-UHFFFAOYSA-N 0 0 419.506 4.347 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000505928079 914577328 /nfs/dbraw/zinc/57/73/28/914577328.db2.gz ITKACJXCJCXLSG-MRXNPFEDSA-N 0 0 419.268 4.496 20 30 HIEDRN C[C@@H](NC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000486801950 901863125 /nfs/dbraw/zinc/86/31/25/901863125.db2.gz RTDBAKBCTJTSQV-MSOLQXFVSA-N 0 0 416.525 4.291 20 30 HIEDRN COc1cc([C@@H](NC(=O)Nc2cccc(C#N)c2)C(F)(F)F)cc(OC)c1OC ZINC000486828657 901880131 /nfs/dbraw/zinc/88/01/31/901880131.db2.gz WJWAYBHWNVMJDT-QGZVFWFLSA-N 0 0 409.364 4.009 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)s1 ZINC000486852688 901897921 /nfs/dbraw/zinc/89/79/21/901897921.db2.gz ZPEUSTSPBUXCLK-UHFFFAOYSA-N 0 0 417.899 4.326 20 30 HIEDRN COC(=O)c1cc(NC(=O)Nc2cccc(OCCCC#N)c2)c(C)c([N+](=O)[O-])c1 ZINC000486857725 901902448 /nfs/dbraw/zinc/90/24/48/901902448.db2.gz SFGRIAMFPVJOJL-UHFFFAOYSA-N 0 0 412.402 4.016 20 30 HIEDRN COc1ccc2cc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)ccc2c1 ZINC000505927713 914577683 /nfs/dbraw/zinc/57/76/83/914577683.db2.gz BWTFXHGFGDTSLE-UHFFFAOYSA-N 0 0 417.484 4.392 20 30 HIEDRN CC(C)[C@H](O)C(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000487028911 902027823 /nfs/dbraw/zinc/02/78/23/902027823.db2.gz HEIRJDLUSWSBMP-QWRGUYRKSA-N 0 0 411.264 4.461 20 30 HIEDRN CC(C)[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000487083784 902050418 /nfs/dbraw/zinc/05/04/18/902050418.db2.gz LRHSWWKZJGWGQX-RTWAWAEBSA-N 0 0 424.932 4.009 20 30 HIEDRN CSc1cc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)ccc1NC(C)=O ZINC000505938494 914590896 /nfs/dbraw/zinc/59/08/96/914590896.db2.gz NJYYNFGLKUAFFQ-MRXNPFEDSA-N 0 0 407.417 4.380 20 30 HIEDRN C=CCn1c(S[C@H]2CCN(c3ccccc3F)C2=O)nnc1-c1ccc(OC)cc1 ZINC000487122609 902067513 /nfs/dbraw/zinc/06/75/13/902067513.db2.gz ZEYLIXQWPFESGC-IBGZPJMESA-N 0 0 424.501 4.176 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000487145420 902074210 /nfs/dbraw/zinc/07/42/10/902074210.db2.gz KYKXRWWDRDUFFW-AWEZNQCLSA-N 0 0 407.276 4.082 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)CCO2)c1 ZINC000487155510 902078319 /nfs/dbraw/zinc/07/83/19/902078319.db2.gz IIOLHJIPQKEURX-ROUUACIJSA-N 0 0 407.367 4.084 20 30 HIEDRN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc(C#N)s2)nc1C ZINC000487220580 902106373 /nfs/dbraw/zinc/10/63/73/902106373.db2.gz NQDQMFMADNBYCS-UHFFFAOYSA-N 0 0 411.508 4.408 20 30 HIEDRN Cc1cnccc1OC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000487223026 902107705 /nfs/dbraw/zinc/10/77/05/902107705.db2.gz SNGKTHBXPPEBOB-UHFFFAOYSA-N 0 0 414.465 4.133 20 30 HIEDRN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505942636 914594677 /nfs/dbraw/zinc/59/46/77/914594677.db2.gz JUTGXCTZQGKTOJ-CYBMUJFWSA-N 0 0 404.282 4.210 20 30 HIEDRN N#CCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccc1 ZINC000487249048 902118769 /nfs/dbraw/zinc/11/87/69/902118769.db2.gz GGMJUHWYDIATOS-XZOQPEGZSA-N 0 0 403.526 4.019 20 30 HIEDRN C[C@]1(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CCCN1C(=O)c1ccccc1 ZINC000505944337 914596327 /nfs/dbraw/zinc/59/63/27/914596327.db2.gz RUUDPBXLPLSTDS-WIYYLYMNSA-N 0 0 415.415 4.081 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)Cc3coc(-c4ccccc4)n3)s2)cc1 ZINC000487352428 902158421 /nfs/dbraw/zinc/15/84/21/902158421.db2.gz JCJUGLOJWGNSGB-UHFFFAOYSA-N 0 0 400.463 4.442 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000505944932 914598296 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HIEDRN C=CCC[C@@H](NC(=O)Nc1cc(CS(C)(=O)=O)ccc1OC)c1ccccc1 ZINC000488792293 903002483 /nfs/dbraw/zinc/00/24/83/903002483.db2.gz AJHZMEQDXYLZPQ-GOSISDBHSA-N 0 0 402.516 4.069 20 30 HIEDRN COc1ccc([C@@H](NC(=O)CSc2nc(C(F)(F)F)ccc2C#N)C2CC2)cc1 ZINC000488790425 903003365 /nfs/dbraw/zinc/00/33/65/903003365.db2.gz XCSSXLRBIYBDHK-SFHVURJKSA-N 0 0 421.444 4.340 20 30 HIEDRN Cc1ccc(SCCNC(=O)CSc2nc(C(F)(F)F)ccc2C#N)cc1 ZINC000488802028 903006750 /nfs/dbraw/zinc/00/67/50/903006750.db2.gz HBDBLVFCPONNCJ-UHFFFAOYSA-N 0 0 411.474 4.281 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000488812789 903017313 /nfs/dbraw/zinc/01/73/13/903017313.db2.gz UVXJXWMVLGWMDA-PXNSSMCTSA-N 0 0 400.486 4.166 20 30 HIEDRN Cc1cc(C)c(CS(=O)(=O)Cc2ccccc2C#N)c(OCc2ccccc2)n1 ZINC000488859248 903044810 /nfs/dbraw/zinc/04/48/10/903044810.db2.gz KBCKWAZWHTYDFN-UHFFFAOYSA-N 0 0 406.507 4.264 20 30 HIEDRN C=CCn1c(SCCC(=O)Nc2ccccc2C#N)nnc1-c1cccc(OC)c1 ZINC000488875353 903052394 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403.394 4.306 20 30 HIEDRN Cc1ccc(-c2cnc(CCC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)o2)cc1 ZINC000543859128 940212999 /nfs/dbraw/zinc/21/29/99/940212999.db2.gz KPCCDHYKJMBVCV-UHFFFAOYSA-N 0 0 415.428 4.418 20 30 HIEDRN N#Cc1ccc(-n2ccc(NCc3cccc(C(=O)N4CCCCC4)c3)n2)c(F)c1 ZINC000543861633 940214244 /nfs/dbraw/zinc/21/42/44/940214244.db2.gz XFBLNEZQAABMMJ-UHFFFAOYSA-N 0 0 403.461 4.121 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)cc1 ZINC000543864684 940215853 /nfs/dbraw/zinc/21/58/53/940215853.db2.gz MVRZGQBQDLEQFN-UHFFFAOYSA-N 0 0 418.472 4.293 20 30 HIEDRN CC(C)Cn1ncc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1C(F)F ZINC000543869746 940217670 /nfs/dbraw/zinc/21/76/70/940217670.db2.gz IBEIXAUNCCFIMF-UHFFFAOYSA-N 0 0 418.835 4.440 20 30 HIEDRN O=C(CN[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F)NCc1ccccc1F ZINC000543870947 940219046 /nfs/dbraw/zinc/21/90/46/940219046.db2.gz JMQAVUTWLGFHFN-MRXNPFEDSA-N 0 0 424.316 4.234 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)n1 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Cc1cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCCO2)c2ccccc2n1 ZINC000555396662 942514108 /nfs/dbraw/zinc/51/41/08/942514108.db2.gz YYGQZRXABBSXSR-IBGZPJMESA-N 0 0 416.529 4.111 20 30 HIEDRN CCCc1c(NCC2CCN(C(=O)C(C)(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000555406960 942518186 /nfs/dbraw/zinc/51/81/86/942518186.db2.gz HKRNNQFSEVDITM-UHFFFAOYSA-N 0 0 407.562 4.393 20 30 HIEDRN C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccs2)CC1 ZINC000555439874 942541386 /nfs/dbraw/zinc/54/13/86/942541386.db2.gz JQJPHNPOVMEJEX-UHFFFAOYSA-N 0 0 404.337 4.302 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@@]4(CCCOC4)C3)n2Cc2cccs2)c1 ZINC000555441883 942544696 /nfs/dbraw/zinc/54/46/96/942544696.db2.gz VMIFRNCESXFZNZ-HSZRJFAPSA-N 0 0 419.554 4.324 20 30 HIEDRN CC1(C#N)CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@H]2CCCCO2)CC1 ZINC000555482263 942585557 /nfs/dbraw/zinc/58/55/57/942585557.db2.gz XBHZSVFAYGLBFE-IBGZPJMESA-N 0 0 416.529 4.192 20 30 HIEDRN CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(OC)c(Br)c(OC)c2)cc1 ZINC000555482518 942585871 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942928834 /nfs/dbraw/zinc/92/88/34/942928834.db2.gz NKDSNCCYFDFEMG-OAQYLSRUSA-N 0 0 401.510 4.273 20 30 HIEDRN N#Cc1cccc(F)c1CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000556801185 942933882 /nfs/dbraw/zinc/93/38/82/942933882.db2.gz QHHSWOFVLMGTAE-UHFFFAOYSA-N 0 0 402.451 4.161 20 30 HIEDRN C[C@H]1CN(Cc2ccccc2NC2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000556896604 942956756 /nfs/dbraw/zinc/95/67/56/942956756.db2.gz ZOVYBKMPKGVOSH-PMACEKPBSA-N 0 0 404.558 4.248 20 30 HIEDRN COc1cccc2c1CCCCN2C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000556936758 942973585 /nfs/dbraw/zinc/97/35/85/942973585.db2.gz SUMRHCYORFYRHF-UHFFFAOYSA-N 0 0 407.489 4.292 20 30 HIEDRN CN1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942391 942975468 /nfs/dbraw/zinc/97/54/68/942975468.db2.gz VJNDIOZEXHFWRA-PMACEKPBSA-N 0 0 417.887 4.329 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccc(Br)cc1O ZINC000556945432 942976720 /nfs/dbraw/zinc/97/67/20/942976720.db2.gz XNWRBBUFKUXTNE-UHFFFAOYSA-N 0 0 406.324 4.080 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc(OCc4ccncc4)cc3)CC2)c1 ZINC000556998399 942990420 /nfs/dbraw/zinc/99/04/20/942990420.db2.gz DVXJIDCVDLRZCA-UHFFFAOYSA-N 0 0 413.477 4.216 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000557062463 943009354 /nfs/dbraw/zinc/00/93/54/943009354.db2.gz WFANVLZNUZYOBH-IBGZPJMESA-N 0 0 410.468 4.228 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1ccc(I)c(Cl)c1 ZINC000557063011 943009451 /nfs/dbraw/zinc/00/94/51/943009451.db2.gz ZUGORLFGLPSAFL-UHFFFAOYSA-N 0 0 411.630 4.110 20 30 HIEDRN CC(C)(C)NC(=O)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000557064616 943010718 /nfs/dbraw/zinc/01/07/18/943010718.db2.gz PMNMGIMIERTIEL-UHFFFAOYSA-N 0 0 420.513 4.162 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000557197857 943047406 /nfs/dbraw/zinc/04/74/06/943047406.db2.gz VXPLEXGTMIEFHP-JOCHJYFZSA-N 0 0 415.415 4.043 20 30 HIEDRN N#Cc1cccc(C2(NC(=O)[C@@H]3C[C@@]34CCc3cc(Br)ccc34)CC2)c1 ZINC000557204061 943050113 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20 30 HIEDRN N#Cc1cc(Cl)cc(Br)c1NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000557425288 943118153 /nfs/dbraw/zinc/11/81/53/943118153.db2.gz LYPXFNWUNRHDFB-CQSZACIVSA-N 0 0 418.722 4.435 20 30 HIEDRN C=CCN1C(=O)N(c2cc(-c3ccco3)nn2C(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000557427401 943119074 /nfs/dbraw/zinc/11/90/74/943119074.db2.gz CKCGHLZEZQVMAI-IBGZPJMESA-N 0 0 404.470 4.290 20 30 HIEDRN CO[C@H]1C[C@@H](N(C)C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)C1 ZINC000557443376 943130093 /nfs/dbraw/zinc/13/00/93/943130093.db2.gz YGZHOPHXUFJSLB-HDICACEKSA-N 0 0 413.543 4.274 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000557454871 943136753 /nfs/dbraw/zinc/13/67/53/943136753.db2.gz KEJRSRRPWAWQEM-CQSZACIVSA-N 0 0 409.313 4.063 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1C ZINC000557455467 943137803 /nfs/dbraw/zinc/13/78/03/943137803.db2.gz ZRJLSFMOQQWGFU-QGZVFWFLSA-N 0 0 408.477 4.209 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)C2)nc1 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C[S@](=O)Cc1ccc(CNc2c(C#N)cnc3c(Br)cccc32)cc1 ZINC000557754279 943279734 /nfs/dbraw/zinc/27/97/34/943279734.db2.gz UOQIFQSIAATOMM-VWLOTQADSA-N 0 0 414.328 4.360 20 30 HIEDRN C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557760117 943282211 /nfs/dbraw/zinc/28/22/11/943282211.db2.gz ZGYUNTWLZJLXDP-XOBRGWDASA-N 0 0 417.431 4.245 20 30 HIEDRN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)c(C#N)n1 ZINC000557817574 943302198 /nfs/dbraw/zinc/30/21/98/943302198.db2.gz MXYLXMCBCCLNFX-UHFFFAOYSA-N 0 0 412.902 4.044 20 30 HIEDRN C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000557849660 943311585 /nfs/dbraw/zinc/31/15/85/943311585.db2.gz OFXFSFFSZJQMKM-CYBMUJFWSA-N 0 0 414.424 4.109 20 30 HIEDRN CC[C@@H](c1ccccc1OC)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000557864267 943316037 /nfs/dbraw/zinc/31/60/37/943316037.db2.gz PXORHSMGFWXVLV-KRWDZBQOSA-N 0 0 412.433 4.357 20 30 HIEDRN C[C@@](C#N)(NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCCCC1 ZINC000557899048 943323635 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N#Cc1cc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)nc2ccccc12 ZINC000558247467 943457631 /nfs/dbraw/zinc/45/76/31/943457631.db2.gz HYQUDGKXGJXNMP-NRFANRHFSA-N 0 0 420.881 4.327 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@H](C)[S@@]1=O ZINC000558304478 943494685 /nfs/dbraw/zinc/49/46/85/943494685.db2.gz GAMRJSPRAZUECH-WAPODSJJSA-N 0 0 411.527 4.422 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)cc2)cc1 ZINC000558307986 943496886 /nfs/dbraw/zinc/49/68/86/943496886.db2.gz HTVARXMIWILNPD-KXBFYZLASA-N 0 0 419.403 4.375 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1 ZINC000558320978 943505546 /nfs/dbraw/zinc/50/55/46/943505546.db2.gz WOZQNWFYPDLPQL-VFNWGFHPSA-N 0 0 409.461 4.284 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000558323285 943507253 /nfs/dbraw/zinc/50/72/53/943507253.db2.gz PDAFTQFGGSWLGA-IEBWSBKVSA-N 0 0 417.412 4.486 20 30 HIEDRN C[S@@](=O)Cc1ccc(CNC(=O)Nc2ccccc2C#Cc2ccccc2)cc1 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406.983 4.399 20 30 HIEDRN C=CCn1c(-c2ccc(C)s2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000558455236 943564565 /nfs/dbraw/zinc/56/45/65/943564565.db2.gz UONAPKOMJIFOHB-KRWDZBQOSA-N 0 0 400.470 4.031 20 30 HIEDRN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CCCO[C@@H](C)C1 ZINC000558455928 943564567 /nfs/dbraw/zinc/56/45/67/943564567.db2.gz NEEYFVHFKTULKA-IBGZPJMESA-N 0 0 404.514 4.325 20 30 HIEDRN C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCCC[C@H]1c1ccccc1 ZINC000558455846 943564593 /nfs/dbraw/zinc/56/45/93/943564593.db2.gz JKCYYZOGRAQPSV-NRFANRHFSA-N 0 0 422.554 4.266 20 30 HIEDRN N#Cc1c(NC(=O)c2ccnc(N3CCCCC3)n2)sc2c1-c1ccccc1CC2 ZINC000558461776 943565963 /nfs/dbraw/zinc/56/59/63/943565963.db2.gz NDUGTQMLLCUXDO-UHFFFAOYSA-N 0 0 415.522 4.418 20 30 HIEDRN COc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1C#N ZINC000558475808 943569028 /nfs/dbraw/zinc/56/90/28/943569028.db2.gz MISFWNJXHXGROL-UHFFFAOYSA-N 0 0 415.375 4.093 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000558497291 943576533 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943812399 /nfs/dbraw/zinc/81/23/99/943812399.db2.gz LFUXIADOSTYLDR-UHFFFAOYSA-N 0 0 423.561 4.282 20 30 HIEDRN C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(Cl)c2ccccc21 ZINC000559057348 943817752 /nfs/dbraw/zinc/81/77/52/943817752.db2.gz LZVOWYGKBHDXLN-INIZCTEOSA-N 0 0 419.916 4.353 20 30 HIEDRN CCc1ncnc(CC)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000559081440 943829697 /nfs/dbraw/zinc/82/96/97/943829697.db2.gz GITUAWLGSXZQMN-UHFFFAOYSA-N 0 0 400.482 4.499 20 30 HIEDRN CC(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCO[C@@H](C#N)C1 ZINC000559086695 943832170 /nfs/dbraw/zinc/83/21/70/943832170.db2.gz ZHPDELJSDMGHRL-KRWDZBQOSA-N 0 0 411.506 4.197 20 30 HIEDRN CC(C)Cn1c([C@@H](C)Oc2cccc(Br)c2)nnc1N(C)C[C@H](C)C#N ZINC000559088270 943833038 /nfs/dbraw/zinc/83/30/38/943833038.db2.gz QPNIDJVMYDZESI-HUUCEWRRSA-N 0 0 420.355 4.432 20 30 HIEDRN Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)cc1F ZINC000559103125 943840308 /nfs/dbraw/zinc/84/03/08/943840308.db2.gz WOZPYEVCNDJCRX-FQEVSTJZSA-N 0 0 405.477 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943895784 /nfs/dbraw/zinc/89/57/84/943895784.db2.gz YEAOTDZKWBJUKG-UHFFFAOYSA-N 0 0 409.489 4.033 20 30 HIEDRN C=CCc1cc(CNC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cc(OC)c1OC ZINC000559340062 943899628 /nfs/dbraw/zinc/89/96/28/943899628.db2.gz XAYWKWXGCJUGGS-VLIAUNLRSA-N 0 0 401.528 4.060 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000559371332 943918043 /nfs/dbraw/zinc/91/80/43/943918043.db2.gz JXYBKULILWREGM-FQEVSTJZSA-N 0 0 417.534 4.045 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000559379153 943922526 /nfs/dbraw/zinc/92/25/26/943922526.db2.gz IEVDZGRFAAUVHC-NRFANRHFSA-N 0 0 419.550 4.293 20 30 HIEDRN COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)cc1OC ZINC000559434859 943951254 /nfs/dbraw/zinc/95/12/54/943951254.db2.gz PKKACABYKDMQKH-OAQYLSRUSA-N 0 0 421.541 4.269 20 30 HIEDRN C[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000559438033 943954219 /nfs/dbraw/zinc/95/42/19/943954219.db2.gz ZLJMRXIEKTZDBK-AOMKIAJQSA-N 0 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CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000559588613 944013995 /nfs/dbraw/zinc/01/39/95/944013995.db2.gz GIGLHJGVRZWLNA-OAQYLSRUSA-N 0 0 411.933 4.464 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)c1C#N ZINC000559594054 944014893 /nfs/dbraw/zinc/01/48/93/944014893.db2.gz DPECIUNZBDKPNK-UHFFFAOYSA-N 0 0 410.326 4.479 20 30 HIEDRN N#CCc1ccc(OC[C@H](O)CSc2nnc(CCC3CCCCC3)o2)cc1 ZINC000559628899 944019712 /nfs/dbraw/zinc/01/97/12/944019712.db2.gz AXCPLZIRCVPEDM-SFHVURJKSA-N 0 0 401.532 4.181 20 30 HIEDRN CC(C)c1ccccc1OCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000559627919 944020210 /nfs/dbraw/zinc/02/02/10/944020210.db2.gz LJJPQERZHRINRX-UHFFFAOYSA-N 0 0 413.543 4.174 20 30 HIEDRN CCc1ccc([C@@H](C)NC(=O)COc2c(Br)cccc2CC#N)cc1 ZINC000559644197 944022934 /nfs/dbraw/zinc/02/29/34/944022934.db2.gz LBPHHZUUQNQCSY-CQSZACIVSA-N 0 0 401.304 4.334 20 30 HIEDRN Cc1ccc([C@H](C)NC(=O)COc2c(Br)cccc2CC#N)cc1C ZINC000559643995 944023500 /nfs/dbraw/zinc/02/35/00/944023500.db2.gz 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C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000559886705 944075457 /nfs/dbraw/zinc/07/54/57/944075457.db2.gz PSCWKIJPKXWEHH-INIZCTEOSA-N 0 0 423.538 4.146 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000559891199 944076808 /nfs/dbraw/zinc/07/68/08/944076808.db2.gz VEBSHXAKPPDTJG-GJZGRUSLSA-N 0 0 407.417 4.030 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)cc1F ZINC000559915301 944083601 /nfs/dbraw/zinc/08/36/01/944083601.db2.gz NNWCSAWMNKXXKE-UHFFFAOYSA-N 0 0 420.271 4.349 20 30 HIEDRN N#Cc1cc(-c2nc(Cc3coc(-c4cccs4)n3)no2)cnc1C(F)(F)F ZINC000559934365 944090479 /nfs/dbraw/zinc/09/04/79/944090479.db2.gz IKPSJGSMAAMUTP-UHFFFAOYSA-N 0 0 403.345 4.329 20 30 HIEDRN C=C(C)COc1cc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)ccc1OC ZINC000559997623 944118566 /nfs/dbraw/zinc/11/85/66/944118566.db2.gz ARRAWMBMPFNCIJ-UHFFFAOYSA-N 0 0 409.530 4.351 20 30 HIEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1C#N ZINC000560070313 944148301 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CCNc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000560587798 944265732 /nfs/dbraw/zinc/26/57/32/944265732.db2.gz GFEMSXDPHDWIIY-UHFFFAOYSA-N 0 0 403.236 4.222 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)NCc3cccc(COCC(F)(F)F)c3)CC2)c1 ZINC000560601572 944270677 /nfs/dbraw/zinc/27/06/77/944270677.db2.gz SITXCBUIGHSHMX-UHFFFAOYSA-N 0 0 406.379 4.124 20 30 HIEDRN COc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1Oc1ccc(C)nn1 ZINC000560609096 944272562 /nfs/dbraw/zinc/27/25/62/944272562.db2.gz WQJZAAPCINGENW-UHFFFAOYSA-N 0 0 418.428 4.267 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)Nc3cnn(-c4ncc(Cl)cc4Cl)c3)CC2)c1 ZINC000560609463 944273099 /nfs/dbraw/zinc/27/30/99/944273099.db2.gz IFATYNZRQSBYKZ-UHFFFAOYSA-N 0 0 416.243 4.255 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)N3CCO[C@H](c4ccccc4C(F)(F)F)C3)CC2)c1 ZINC000560624136 944277428 /nfs/dbraw/zinc/27/74/28/944277428.db2.gz FHVRQHASJARNJD-IBGZPJMESA-N 0 0 418.390 4.348 20 30 HIEDRN C=CCOc1c(Br)cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000560630169 944279859 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414.465 4.027 20 30 HIEDRN COc1ccccc1CN(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000560980908 944385189 /nfs/dbraw/zinc/38/51/89/944385189.db2.gz LONYMSGTENQXKU-UHFFFAOYSA-N 0 0 411.933 4.485 20 30 HIEDRN Cc1cc(N2C(=O)[C@@H](c3ccc(Cl)cc3Cl)N(C3CC3)C2=O)nn1CCC#N ZINC000561015278 944396752 /nfs/dbraw/zinc/39/67/52/944396752.db2.gz LLJKUBFPFHDRDJ-QGZVFWFLSA-N 0 0 418.284 4.084 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000561039691 944411683 /nfs/dbraw/zinc/41/16/83/944411683.db2.gz UCPDCGXKDXVXHA-QHCPKHFHSA-N 0 0 414.500 4.435 20 30 HIEDRN N#Cc1ccnc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1Cl ZINC000561093954 944444943 /nfs/dbraw/zinc/44/49/43/944444943.db2.gz AMQCOKLEHLFXLJ-LBPRGKRZSA-N 0 0 403.920 4.257 20 30 HIEDRN N#Cc1ccnc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1Cl ZINC000561093943 944445204 /nfs/dbraw/zinc/44/52/04/944445204.db2.gz AMQCOKLEHLFXLJ-GFCCVEGCSA-N 0 0 403.920 4.257 20 30 HIEDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000561097091 944449171 /nfs/dbraw/zinc/44/91/71/944449171.db2.gz OTLQMWBDSARGIH-IERDGZPVSA-N 0 0 422.529 4.080 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)C2)nc1 ZINC000561100469 944450334 /nfs/dbraw/zinc/45/03/34/944450334.db2.gz ILAHYBBAIQXOLD-LBPRGKRZSA-N 0 0 401.253 4.035 20 30 HIEDRN CC[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000561099105 944450907 /nfs/dbraw/zinc/45/09/07/944450907.db2.gz CZNMDQUBJAIRKG-MSOLQXFVSA-N 0 0 403.404 4.146 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000561103067 944451917 /nfs/dbraw/zinc/45/19/17/944451917.db2.gz CCVLXRLCBGFVOD-UHFFFAOYSA-N 0 0 422.366 4.403 20 30 HIEDRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNc2ccnc(C#N)c2)cc1 ZINC000561133841 944472740 /nfs/dbraw/zinc/47/27/40/944472740.db2.gz XDVVPEFQLZOTOX-UHFFFAOYSA-N 0 0 400.482 4.093 20 30 HIEDRN C=C(C)[C@H](CC(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)OCC ZINC000561139644 944476549 /nfs/dbraw/zinc/47/65/49/944476549.db2.gz JKOXAEZGLVIFRP-ZDUSSCGKSA-N 0 0 401.410 4.414 20 30 HIEDRN CC[C@@H](C(=O)N1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1)c1ccccc1 ZINC000561154398 944485127 /nfs/dbraw/zinc/48/51/27/944485127.db2.gz SMEHCQUBPIQKQX-LJQANCHMSA-N 0 0 421.932 4.456 20 30 HIEDRN CS(=O)(=O)Cc1ccccc1CNc1c(Br)cc(Cl)cc1C#N ZINC000561234111 944522889 /nfs/dbraw/zinc/52/28/89/944522889.db2.gz VJXKULNVKYNNMT-UHFFFAOYSA-N 0 0 413.724 4.131 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000561238032 944524242 /nfs/dbraw/zinc/52/42/42/944524242.db2.gz LESMEIYBWYPZQC-JOCHJYFZSA-N 0 0 408.546 4.039 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000561241030 944525042 /nfs/dbraw/zinc/52/50/42/944525042.db2.gz DPGRRURXKQGOOZ-JOCHJYFZSA-N 0 0 412.553 4.420 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000561240971 944525206 /nfs/dbraw/zinc/52/52/06/944525206.db2.gz OJXONGMGPRCVCN-UHFFFAOYSA-N 0 0 423.517 4.060 20 30 HIEDRN CC(C)(C)[C@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@@H]1O ZINC000561241708 944525465 /nfs/dbraw/zinc/52/54/65/944525465.db2.gz APJXFMBLDBJDBQ-ICSRJNTNSA-N 0 0 417.981 4.074 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCOc2cc(O)ccc2C1 ZINC000561266013 944533601 /nfs/dbraw/zinc/53/36/01/944533601.db2.gz MFPHFHNZGQDIBN-UHFFFAOYSA-N 0 0 402.475 4.450 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cc(Cl)cc(F)c2Br)CCC[C@]12CCCCO2 ZINC000561290081 944541276 /nfs/dbraw/zinc/54/12/76/944541276.db2.gz VATWLQAOTVWLNS-RHSMWYFYSA-N 0 0 415.690 4.309 20 30 HIEDRN COc1cc(C2(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)CC2)ccc1C ZINC000561307986 944545614 /nfs/dbraw/zinc/54/56/14/944545614.db2.gz FIQZWIRLZYFARY-UHFFFAOYSA-N 0 0 408.473 4.116 20 30 HIEDRN N#Cc1ccc(Cl)c(C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000561321644 944550001 /nfs/dbraw/zinc/55/00/01/944550001.db2.gz QPSDWHYQUIVQOH-HNNXBMFYSA-N 0 0 403.187 4.347 20 30 HIEDRN Cc1ccc(Br)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000561332241 944553577 /nfs/dbraw/zinc/55/35/77/944553577.db2.gz DZRZXGWIBHAOFL-CQSZACIVSA-N 0 0 402.267 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N#CCCCOc1cccc(NC(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)c1 ZINC000437063997 862261274 /nfs/dbraw/zinc/26/12/74/862261274.db2.gz RWGLHCQPZBCWJH-UHFFFAOYSA-N 0 0 424.457 4.209 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000062905726 851600293 /nfs/dbraw/zinc/60/02/93/851600293.db2.gz GFAGZOAKJKKQIE-QHCPKHFHSA-N 0 0 415.537 4.242 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000062905900 851601327 /nfs/dbraw/zinc/60/13/27/851601327.db2.gz VNBYVRWQFOJQRZ-UHFFFAOYSA-N 0 0 416.481 4.154 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000437064938 862262257 /nfs/dbraw/zinc/26/22/57/862262257.db2.gz XAKLUEXCSPGYIX-YWZLYKJASA-N 0 0 416.880 4.182 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000437068072 862264763 /nfs/dbraw/zinc/26/47/63/862264763.db2.gz GNZHIXQICNADPN-MRXNPFEDSA-N 0 0 422.510 4.198 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000437067627 862264922 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HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000063390490 851674777 /nfs/dbraw/zinc/67/47/77/851674777.db2.gz OKBSWXCPZAWKCN-UHFFFAOYSA-N 0 0 410.474 4.343 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccc(Br)s1 ZINC000063401180 851679344 /nfs/dbraw/zinc/67/93/44/851679344.db2.gz ZTYLOAMCEHEQNQ-UHFFFAOYSA-N 0 0 404.333 4.323 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000063401496 851679373 /nfs/dbraw/zinc/67/93/73/851679373.db2.gz NFBKOFFMBKFERF-UHFFFAOYSA-N 0 0 403.404 4.397 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccc2C)CCOCC1 ZINC000063403481 851679968 /nfs/dbraw/zinc/67/99/68/851679968.db2.gz QJCJNQDYKCFFOV-UHFFFAOYSA-N 0 0 423.513 4.349 20 30 HIEDRN C=C(C)CN(CC)C(=O)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000063462396 851695616 /nfs/dbraw/zinc/69/56/16/851695616.db2.gz USLBGCNUPDARPC-UHFFFAOYSA-N 0 0 409.408 4.387 20 30 HIEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)c2ccccc2)c1 ZINC000063477338 851700136 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/nfs/dbraw/zinc/73/28/81/854732881.db2.gz QTEYCFDVIBQZRH-UHFFFAOYSA-N 0 0 414.538 4.493 20 30 HIEDRN C=CCc1cc(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc(OC)c1OC ZINC000303077705 854750720 /nfs/dbraw/zinc/75/07/20/854750720.db2.gz ZLKYASRQRGZSKY-UHFFFAOYSA-N 0 0 410.514 4.347 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000303086795 854754406 /nfs/dbraw/zinc/75/44/06/854754406.db2.gz BTUUVSPVPSEULZ-UHFFFAOYSA-N 0 0 424.342 4.091 20 30 HIEDRN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437331744 862601185 /nfs/dbraw/zinc/60/11/85/862601185.db2.gz XUNVTWMTRAYECT-MHECFPHRSA-N 0 0 424.566 4.233 20 30 HIEDRN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000303106262 854763148 /nfs/dbraw/zinc/76/31/48/854763148.db2.gz JJIUKFQDCJREGH-HXUWFJFHSA-N 0 0 410.493 4.079 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437332663 862603033 /nfs/dbraw/zinc/60/30/33/862603033.db2.gz OAYFMXGBIVLSJT-PKOBYXMFSA-N 0 0 405.329 4.325 20 30 HIEDRN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000303175032 854801072 /nfs/dbraw/zinc/80/10/72/854801072.db2.gz HHLTVDCSOCLKEX-UHFFFAOYSA-N 0 0 421.518 4.089 20 30 HIEDRN Cc1nc(CCC(=O)N(CCC#N)CC2CC2)oc1-c1ccc(Br)cc1 ZINC000303250537 854835285 /nfs/dbraw/zinc/83/52/85/854835285.db2.gz ASHKQYXIEYIOLT-UHFFFAOYSA-N 0 0 416.319 4.497 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 ZINC000303252896 854837002 /nfs/dbraw/zinc/83/70/02/854837002.db2.gz CMSSGRAEKSSOST-OAHLLOKOSA-N 0 0 409.540 4.250 20 30 HIEDRN C[C@H](C(=O)Nc1ccccc1C#N)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000303285376 854851709 /nfs/dbraw/zinc/85/17/09/854851709.db2.gz JSSDFGICOHAZFN-BLVKFPJESA-N 0 0 422.287 4.405 20 30 HIEDRN CCOC(=O)c1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC000303293184 854856419 /nfs/dbraw/zinc/85/64/19/854856419.db2.gz BFEPGHPTJKUIOX-OAHLLOKOSA-N 0 0 422.224 4.073 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCOc1ccc(F)cc1 ZINC000303298716 854859391 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HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C ZINC000303390302 854904963 /nfs/dbraw/zinc/90/49/63/854904963.db2.gz XZAWRXAYBVAEIW-UHFFFAOYSA-N 0 0 410.481 4.048 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)c1cccc(Cl)c1Cl ZINC000303405669 854911051 /nfs/dbraw/zinc/91/10/51/854911051.db2.gz SGKBBEBIKNUEMM-ZUZCIYMTSA-N 0 0 424.234 4.006 20 30 HIEDRN Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 ZINC000303408196 854913550 /nfs/dbraw/zinc/91/35/50/854913550.db2.gz TVKKBGGXINCGMN-HXUWFJFHSA-N 0 0 422.598 4.146 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)C(=O)Nc3cnc4ccccc4c3)c2)c1 ZINC000437343543 862619028 /nfs/dbraw/zinc/61/90/28/862619028.db2.gz GQQDZYJNVOMPJU-UHFFFAOYSA-N 0 0 422.444 4.263 20 30 HIEDRN Cc1cc(NC(=O)Cc2ccc(OCC#N)cc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000303535099 855021578 /nfs/dbraw/zinc/02/15/78/855021578.db2.gz XJCUDJRORFUNAW-UHFFFAOYSA-N 0 0 414.387 4.283 20 30 HIEDRN N#Cc1c(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)nc2n1CCS2 ZINC000437352604 862632175 /nfs/dbraw/zinc/63/21/75/862632175.db2.gz OFHVMDOPBLVLAF-UHFFFAOYSA-N 0 0 405.414 4.060 20 30 HIEDRN COc1ccc(C)cc1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000437351911 862632380 /nfs/dbraw/zinc/63/23/80/862632380.db2.gz KMOFBZOLJCKZNX-UHFFFAOYSA-N 0 0 415.449 4.032 20 30 HIEDRN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NC(=O)C(C)(C)C ZINC000303567083 855044015 /nfs/dbraw/zinc/04/40/15/855044015.db2.gz YBXNISGREAFOBF-UHFFFAOYSA-N 0 0 405.907 4.306 20 30 HIEDRN CC(C)Oc1ccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cn1 ZINC000303590391 855063430 /nfs/dbraw/zinc/06/34/30/855063430.db2.gz HMJIATLLHANICK-UHFFFAOYSA-N 0 0 401.466 4.249 20 30 HIEDRN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cccc(COc3cccc(F)c3)c2)c1 ZINC000303632929 855090589 /nfs/dbraw/zinc/09/05/89/855090589.db2.gz YYZJYBNVDIMCCI-JOCHJYFZSA-N 0 0 418.424 4.374 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(-n3cncn3)c2)cc1 ZINC000303640444 855096964 /nfs/dbraw/zinc/09/69/64/855096964.db2.gz QVIIBRLPXKENOB-UHFFFAOYSA-N 0 0 409.449 4.165 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000303646781 855102535 /nfs/dbraw/zinc/10/25/35/855102535.db2.gz SKLYAEMTOIYTNP-DEOSSOPVSA-N 0 0 415.541 4.150 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1C ZINC000303672857 855123674 /nfs/dbraw/zinc/12/36/74/855123674.db2.gz KDXXWBITYWBONA-UHFFFAOYSA-N 0 0 421.385 4.367 20 30 HIEDRN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000303675974 855125674 /nfs/dbraw/zinc/12/56/74/855125674.db2.gz QKPPNGWHBVHRCG-NVAPDCRFSA-N 0 0 422.356 4.434 20 30 HIEDRN C[C@@H](NC(=O)[C@@H](C)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1 ZINC000303693042 855137525 /nfs/dbraw/zinc/13/75/25/855137525.db2.gz QAQYBRWRMNDUQM-GHMZBOCLSA-N 0 0 400.338 4.208 20 30 HIEDRN C#CCCCCC(=O)Nc1ccc(I)cc1Br ZINC000303715920 855148268 /nfs/dbraw/zinc/14/82/68/855148268.db2.gz MKWROPXQIYZSIN-UHFFFAOYSA-N 0 0 406.061 4.186 20 30 HIEDRN C=CCCCN(C)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl ZINC000303748086 855170097 /nfs/dbraw/zinc/17/00/97/855170097.db2.gz DQBPCIWTCBOFIN-UHFFFAOYSA-N 0 0 406.935 4.487 20 30 HIEDRN C=CCCCN(C)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000303748424 855170416 /nfs/dbraw/zinc/17/04/16/855170416.db2.gz DSQVPHNONIZRBV-UHFFFAOYSA-N 0 0 401.351 4.159 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](C(=O)NCCCC)C1 ZINC000303804435 855208553 /nfs/dbraw/zinc/20/85/53/855208553.db2.gz MEXHSSWGKSOWLF-OAHLLOKOSA-N 0 0 412.452 4.039 20 30 HIEDRN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000303818374 855219879 /nfs/dbraw/zinc/21/98/79/855219879.db2.gz WYVPAAJVCSJLDN-UHFFFAOYSA-N 0 0 418.518 4.330 20 30 HIEDRN CN(C)C(=O)c1cccc(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000303822528 855223532 /nfs/dbraw/zinc/22/35/32/855223532.db2.gz AHIDZCWFNZJXIB-UHFFFAOYSA-N 0 0 413.477 4.025 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCn1cnc2ccccc21 ZINC000303853212 855249124 /nfs/dbraw/zinc/24/91/24/855249124.db2.gz VHLYICXSQRYZQQ-UHFFFAOYSA-N 0 0 403.404 4.440 20 30 HIEDRN CC(=O)N[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccc(F)cc1F ZINC000303859760 855255950 /nfs/dbraw/zinc/25/59/50/855255950.db2.gz LPWORFBPFLGMLY-SFHVURJKSA-N 0 0 403.454 4.177 20 30 HIEDRN C#CCOc1ccc(F)cc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000303870055 855261340 /nfs/dbraw/zinc/26/13/40/855261340.db2.gz IFMLIYHDYCSYIE-UHFFFAOYSA-N 0 0 414.521 4.422 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1C ZINC000303891592 855272442 /nfs/dbraw/zinc/27/24/42/855272442.db2.gz KGUNPIJEKFDUKL-WZONZLPQSA-N 0 0 409.505 4.151 20 30 HIEDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)CCCOc2ccc(C#N)cc2OC)s1 ZINC000303916333 855287963 /nfs/dbraw/zinc/28/79/63/855287963.db2.gz SCRGCMLUTZPFKB-OAHLLOKOSA-N 0 0 401.532 4.273 20 30 HIEDRN COc1ccc2c(c1)N(C(=O)c1ccc(COc3ccccc3C#N)o1)C[C@@H](C)O2 ZINC000303928179 855297418 /nfs/dbraw/zinc/29/74/18/855297418.db2.gz AKPRZMTUDHAUOU-OAHLLOKOSA-N 0 0 404.422 4.167 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC000303933431 855300966 /nfs/dbraw/zinc/30/09/66/855300966.db2.gz VZHYWMKOPGGSDL-UHFFFAOYSA-N 0 0 407.514 4.137 20 30 HIEDRN COc1cccc(-c2ccc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c1 ZINC000303976610 855332899 /nfs/dbraw/zinc/33/28/99/855332899.db2.gz GAERGKFBLNZSPJ-UHFFFAOYSA-N 0 0 415.493 4.200 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)c1 ZINC000323081818 855394240 /nfs/dbraw/zinc/39/42/40/855394240.db2.gz RZQIDMJVNFIHLA-UHFFFAOYSA-N 0 0 405.195 4.140 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2ccc(F)c(Br)c2)c(C#N)c1C ZINC000325874915 855406341 /nfs/dbraw/zinc/40/63/41/855406341.db2.gz KZLJDNOWHJMFFZ-UHFFFAOYSA-N 0 0 411.252 4.259 20 30 HIEDRN N#CCCN(Cc1cccnc1)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC000327685205 855419467 /nfs/dbraw/zinc/41/94/67/855419467.db2.gz PLBPFLOAQLPJSU-UHFFFAOYSA-N 0 0 412.209 4.419 20 30 HIEDRN Cc1cc(Br)cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC000328178835 855421894 /nfs/dbraw/zinc/42/18/94/855421894.db2.gz LKODVWFNXADUDS-UHFFFAOYSA-N 0 0 401.260 4.089 20 30 HIEDRN CCCOc1ccc([C@H](C)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1OC ZINC000409467185 855494371 /nfs/dbraw/zinc/49/43/71/855494371.db2.gz YBIIZRBHVVEIGX-INIZCTEOSA-N 0 0 404.470 4.032 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCn1nc(C)cc1C ZINC000409470755 855496453 /nfs/dbraw/zinc/49/64/53/855496453.db2.gz UWVYCFYOPKSGBM-UHFFFAOYSA-N 0 0 423.330 4.189 20 30 HIEDRN CCC[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000409469994 855496533 /nfs/dbraw/zinc/49/65/33/855496533.db2.gz IZXZDDGSERYBQB-JOCHJYFZSA-N 0 0 404.514 4.460 20 30 HIEDRN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409480560 855502322 /nfs/dbraw/zinc/50/23/22/855502322.db2.gz WUFHAXYPDDEPBT-GOSISDBHSA-N 0 0 402.498 4.282 20 30 HIEDRN COc1cccc(C2=CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)c1 ZINC000409493901 855508005 /nfs/dbraw/zinc/50/80/05/855508005.db2.gz BDARJDZRLATVNR-UHFFFAOYSA-N 0 0 422.428 4.064 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000409493165 855508124 /nfs/dbraw/zinc/50/81/24/855508124.db2.gz TXCFLOGLLWNRAM-CQSZACIVSA-N 0 0 416.374 4.199 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000409537071 855530506 /nfs/dbraw/zinc/53/05/06/855530506.db2.gz MERDBFXEONOUQD-QRTARXTBSA-N 0 0 405.281 4.495 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000409541364 855533165 /nfs/dbraw/zinc/53/31/65/855533165.db2.gz RGOMCWDGCZVHEZ-DHSIGJKJSA-N 0 0 405.281 4.495 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000409544537 855534953 /nfs/dbraw/zinc/53/49/53/855534953.db2.gz LTHOFUQFJAWYDJ-KLXIGZAZSA-N 0 0 420.509 4.185 20 30 HIEDRN CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409562446 855542768 /nfs/dbraw/zinc/54/27/68/855542768.db2.gz QRARBORCVSRHNO-UHFFFAOYSA-N 0 0 422.350 4.417 20 30 HIEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)c1cccc(C2CCC2)c1 ZINC000409583638 855553055 /nfs/dbraw/zinc/55/30/55/855553055.db2.gz GFKYPEJMYKESFI-UHFFFAOYSA-N 0 0 417.488 4.095 20 30 HIEDRN N#Cc1nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)ccc1C(F)(F)F ZINC000409658295 855587806 /nfs/dbraw/zinc/58/78/06/855587806.db2.gz STVAPMGJTHEMLY-SFHVURJKSA-N 0 0 410.399 4.634 20 30 HIEDRN COC[C@@H](NC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(F)cc1 ZINC000437383444 862699383 /nfs/dbraw/zinc/69/93/83/862699383.db2.gz KKIHZJPDISUWMR-JOCHJYFZSA-N 0 0 404.441 4.394 20 30 HIEDRN N#Cc1nc(Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)ccc1C(F)(F)F ZINC000409732556 855625262 /nfs/dbraw/zinc/62/52/62/855625262.db2.gz NOIIGEWRQPPKPE-UHFFFAOYSA-N 0 0 400.316 4.051 20 30 HIEDRN C[C@@H](C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)n1cnc(C#N)n1 ZINC000409736233 855627739 /nfs/dbraw/zinc/62/77/39/855627739.db2.gz IEPRPLZYSGVKQL-LBPRGKRZSA-N 0 0 416.268 4.126 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)n1 ZINC000409739426 855628791 /nfs/dbraw/zinc/62/87/91/855628791.db2.gz IOZPOIPAGAMUOD-SFHVURJKSA-N 0 0 410.481 4.038 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000409758343 855638309 /nfs/dbraw/zinc/63/83/09/855638309.db2.gz NYGQSOAEGMQDLU-JTHBVZDNSA-N 0 0 423.463 4.484 20 30 HIEDRN CC[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1nc(C(F)(F)F)cs1 ZINC000409782672 855651286 /nfs/dbraw/zinc/65/12/86/855651286.db2.gz ZEAMILOUQBZYBL-ZDUSSCGKSA-N 0 0 405.405 4.100 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H](c3cccc(Cl)c3)c3ccccn3)n2)c1 ZINC000409835982 855679383 /nfs/dbraw/zinc/67/93/83/855679383.db2.gz ZFRYGDCKVCGOOB-JOCHJYFZSA-N 0 0 413.868 4.312 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000437388696 862711064 /nfs/dbraw/zinc/71/10/64/862711064.db2.gz JWDOAEWLFPJBOH-GFCCVEGCSA-N 0 0 406.269 4.342 20 30 HIEDRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000409899907 855714133 /nfs/dbraw/zinc/71/41/33/855714133.db2.gz KCOXZUIPQNWFBC-HNNXBMFYSA-N 0 0 402.325 4.392 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3ccccc3OCc3cccs3)CC2)c(F)c1 ZINC000409909238 855718794 /nfs/dbraw/zinc/71/87/94/855718794.db2.gz ISJRNFQCMGTTFS-UHFFFAOYSA-N 0 0 421.497 4.300 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3csc(CCc4ccccc4)n3)CC2)cc1 ZINC000409933674 855731733 /nfs/dbraw/zinc/73/17/33/855731733.db2.gz SXUOGTFPNDLQEC-UHFFFAOYSA-N 0 0 417.534 4.484 20 30 HIEDRN C=CC[C@@H]1N(C(=O)c2nnn(CCOc3ccc(F)cc3)c2C)CCCC1(C)C ZINC000409937054 855733390 /nfs/dbraw/zinc/73/33/90/855733390.db2.gz KHGFASUSQOUIMM-IBGZPJMESA-N 0 0 400.498 4.012 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1ccc(C)cc1 ZINC000409978217 855757802 /nfs/dbraw/zinc/75/78/02/855757802.db2.gz RVIYRCGINHIGJB-UHFFFAOYSA-N 0 0 410.481 4.443 20 30 HIEDRN C=CCn1c(SCC(=O)c2cccn2C)nc2sc3c(c2c1=O)CCCCC3 ZINC000409985367 855762808 /nfs/dbraw/zinc/76/28/08/855762808.db2.gz WZNDVFDUUBXSHP-UHFFFAOYSA-N 0 0 413.568 4.226 20 30 HIEDRN CC(C)(COCc1ccccc1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000409994063 855767730 /nfs/dbraw/zinc/76/77/30/855767730.db2.gz RALPXYIEPHWGNC-SFHVURJKSA-N 0 0 401.304 4.373 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4F)nc3)n2)c1 ZINC000409996570 855769497 /nfs/dbraw/zinc/76/94/97/855769497.db2.gz GCKJRMAIPABIST-UHFFFAOYSA-N 0 0 417.375 4.462 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCn4c(cc5c4cccc5Cl)C3)n2)c1 ZINC000410002577 855773430 /nfs/dbraw/zinc/77/34/30/855773430.db2.gz QLTNBUSJJBLXQM-UHFFFAOYSA-N 0 0 401.857 4.008 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000410006032 855775051 /nfs/dbraw/zinc/77/50/51/855775051.db2.gz WYVOCOWGSHOMQR-KRWDZBQOSA-N 0 0 418.497 4.142 20 30 HIEDRN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000410007890 855776894 /nfs/dbraw/zinc/77/68/94/855776894.db2.gz YUGNGJRFJHWQMW-UHFFFAOYSA-N 0 0 416.481 4.271 20 30 HIEDRN Cc1sc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000410054748 855803087 /nfs/dbraw/zinc/80/30/87/855803087.db2.gz SARMTMMWBROTFY-OAHLLOKOSA-N 0 0 405.932 4.044 20 30 HIEDRN CSc1ccccc1[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000410084556 855812262 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416.493 4.044 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)ccc1C(F)(F)F ZINC000410152685 855841020 /nfs/dbraw/zinc/84/10/20/855841020.db2.gz YRVCDBNPFCAAJA-UHFFFAOYSA-N 0 0 421.444 4.002 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000410154700 855842053 /nfs/dbraw/zinc/84/20/53/855842053.db2.gz PEROXQGCTOHFAQ-UHFFFAOYSA-N 0 0 411.424 4.449 20 30 HIEDRN CC(C)(C#N)CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000410304361 855917045 /nfs/dbraw/zinc/91/70/45/855917045.db2.gz CVGAICURMSLTEA-UHFFFAOYSA-N 0 0 409.414 4.008 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410310765 855920608 /nfs/dbraw/zinc/92/06/08/855920608.db2.gz XWROVABNWPLISC-AWEZNQCLSA-N 0 0 407.297 4.308 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)ccc1C(F)(F)F ZINC000410332398 855933047 /nfs/dbraw/zinc/93/30/47/855933047.db2.gz KGWOJMHIQPXGLZ-UHFFFAOYSA-N 0 0 403.385 4.440 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000410335323 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C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426563686 856350043 /nfs/dbraw/zinc/35/00/43/856350043.db2.gz XVNXKEBIGWPZLT-HJPURHCSSA-N 0 0 411.461 4.339 20 30 HIEDRN COC[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000426579101 856358008 /nfs/dbraw/zinc/35/80/08/856358008.db2.gz XETPZVKSLRJRMP-NRFANRHFSA-N 0 0 413.905 4.152 20 30 HIEDRN Cc1cn2c(nc(C)c2-c2noc([C@H]3CCCN(c4nc(C)ccc4C#N)C3)n2)s1 ZINC000426628980 856381969 /nfs/dbraw/zinc/38/19/69/856381969.db2.gz OZNOAUVXQGXUKQ-INIZCTEOSA-N 0 0 419.514 4.022 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000426632637 856383607 /nfs/dbraw/zinc/38/36/07/856383607.db2.gz YJFDNXGQNDIODX-QHCPKHFHSA-N 0 0 400.478 4.485 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000426646118 856391357 /nfs/dbraw/zinc/39/13/57/856391357.db2.gz HSRDHLVSDBFNCQ-MRXNPFEDSA-N 0 0 401.869 4.027 20 30 HIEDRN N#CCCn1cc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000426678934 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400.486 4.269 20 30 HIEDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428905118 857405155 /nfs/dbraw/zinc/40/51/55/857405155.db2.gz JNQCUOPQUMXXSS-LJQANCHMSA-N 0 0 402.498 4.278 20 30 HIEDRN C[C@H]1CN(CCOCC(F)(F)C(F)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428928075 857421158 /nfs/dbraw/zinc/42/11/58/857421158.db2.gz JZDIEULRHDAQPB-SMDDNHRTSA-N 0 0 403.338 4.384 20 30 HIEDRN O=C(N[C@H](CO)CC(F)F)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000428991159 857447283 /nfs/dbraw/zinc/44/72/83/857447283.db2.gz JNVIARPDMHLZHR-QWRGUYRKSA-N 0 0 408.289 4.014 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H](CO)c2ccccc2)cc1 ZINC000429043943 857472907 /nfs/dbraw/zinc/47/29/07/857472907.db2.gz CCGKYMXQRVNSDA-QFIPXVFZSA-N 0 0 415.493 4.229 20 30 HIEDRN C=CCN(C(=O)COc1cc(C)c(Cl)c(C)c1)c1nc(C(=O)OCC)cs1 ZINC000429052481 857478616 /nfs/dbraw/zinc/47/86/16/857478616.db2.gz GDFXNLAROKPRTK-UHFFFAOYSA-N 0 0 408.907 4.188 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N(CC)[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC000429059829 857485985 /nfs/dbraw/zinc/48/59/85/857485985.db2.gz KNWLGKHFWFKCBR-SFHVURJKSA-N 0 0 410.514 4.068 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](CO)c3ccccc3)cc2F)c1 ZINC000429062595 857487394 /nfs/dbraw/zinc/48/73/94/857487394.db2.gz FZPITVGVTCIIHU-HXUWFJFHSA-N 0 0 419.456 4.174 20 30 HIEDRN C[C@@H](N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1)C(F)(F)F ZINC000429071981 857494812 /nfs/dbraw/zinc/49/48/12/857494812.db2.gz SPUNZYJRKDCUJZ-OAHLLOKOSA-N 0 0 418.419 4.451 20 30 HIEDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429077447 857497005 /nfs/dbraw/zinc/49/70/05/857497005.db2.gz KVMDNTOGDFNUSG-OPAMFIHVSA-N 0 0 406.461 4.109 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429185441 857545778 /nfs/dbraw/zinc/54/57/78/857545778.db2.gz VGASMZFTYGEZBG-IRLDBZIGSA-N 0 0 402.535 4.359 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2ncccc2Cl)CC1 ZINC000429221679 857561947 /nfs/dbraw/zinc/56/19/47/857561947.db2.gz LANMTYPUDWBYBD-ZDUSSCGKSA-N 0 0 403.313 4.467 20 30 HIEDRN C=CCN(C(=O)c1ccc(F)cc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000429266651 857583127 /nfs/dbraw/zinc/58/31/27/857583127.db2.gz JXUHXCPCXOGHTL-CYBMUJFWSA-N 0 0 419.382 4.210 20 30 HIEDRN CSC[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000429282393 857590757 /nfs/dbraw/zinc/59/07/57/857590757.db2.gz DWEQYXMDQHTANZ-QGZVFWFLSA-N 0 0 414.550 4.118 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000429352020 857616451 /nfs/dbraw/zinc/61/64/51/857616451.db2.gz HDENCMXKRQTWDR-DEOSSOPVSA-N 0 0 417.553 4.109 20 30 HIEDRN CC(C)(CO)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000437621356 862940089 /nfs/dbraw/zinc/94/00/89/862940089.db2.gz FFVHROIVMKCCQP-HXUWFJFHSA-N 0 0 418.459 4.158 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2c(F)cc(F)cc2F)nnc1-c1ccco1 ZINC000429535682 857729407 /nfs/dbraw/zinc/72/94/07/857729407.db2.gz CUGILFIMHXFGHQ-UHFFFAOYSA-N 0 0 408.405 4.262 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437624955 862943927 /nfs/dbraw/zinc/94/39/27/862943927.db2.gz KKYMQISBQDUFJP-IRJFHVNHSA-N 0 0 401.482 4.315 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2ccnn2Cc2ccc(F)cc2)cc(OC)c1OC ZINC000429569139 857755150 /nfs/dbraw/zinc/75/51/50/857755150.db2.gz KWVPAFJRYPCVDR-UHFFFAOYSA-N 0 0 424.476 4.138 20 30 HIEDRN COc1cc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cc(Cl)c1OCC(C)C ZINC000429585697 857770558 /nfs/dbraw/zinc/77/05/58/857770558.db2.gz SQRYVKSGRYGQNM-AWEZNQCLSA-N 0 0 412.877 4.453 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000429590849 857774126 /nfs/dbraw/zinc/77/41/26/857774126.db2.gz IDWXKORUDGOZSK-UHFFFAOYSA-N 0 0 407.455 4.647 20 30 HIEDRN Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000437626928 862949325 /nfs/dbraw/zinc/94/93/25/862949325.db2.gz OIFRBSSQBATFII-FQEVSTJZSA-N 0 0 421.884 4.200 20 30 HIEDRN N#C[C@@H](C(=O)c1c[nH]c(C(F)(F)F)c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000429682628 857833665 /nfs/dbraw/zinc/83/36/65/857833665.db2.gz ZKGWOUWCJFOCDK-JTQLQIEISA-N 0 0 406.389 4.113 20 30 HIEDRN Cc1cnccc1OC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000429718296 857848535 /nfs/dbraw/zinc/84/85/35/857848535.db2.gz ANGODQRFIWJBLT-UHFFFAOYSA-N 0 0 424.570 4.074 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2Cc3cccc(O)c3C2)cc1 ZINC000429759741 857875658 /nfs/dbraw/zinc/87/56/58/857875658.db2.gz ALKGRQRYWZVXSD-SFHVURJKSA-N 0 0 415.449 4.354 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c1-c1ccccc1 ZINC000429788188 857885069 /nfs/dbraw/zinc/88/50/69/857885069.db2.gz PVOASXBKSOHBIN-UHFFFAOYSA-N 0 0 417.860 4.155 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000429793481 857887383 /nfs/dbraw/zinc/88/73/83/857887383.db2.gz GAABSIIFKSWXCE-IBGZPJMESA-N 0 0 407.520 4.103 20 30 HIEDRN COc1cc(CNC(=O)c2cccc(SCC#N)c2)cc(Br)c1OC ZINC000429808645 857891643 /nfs/dbraw/zinc/89/16/43/857891643.db2.gz XFDVPVWOSQAARC-UHFFFAOYSA-N 0 0 421.316 4.012 20 30 HIEDRN C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000429885785 857927946 /nfs/dbraw/zinc/92/79/46/857927946.db2.gz AVZSDCLKIDRSKY-UHFFFAOYSA-N 0 0 409.845 4.037 20 30 HIEDRN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000429894947 857932381 /nfs/dbraw/zinc/93/23/81/857932381.db2.gz ZOWKMUQWNCNGFT-UHFFFAOYSA-N 0 0 407.495 4.072 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1-c1ccccc1 ZINC000430075697 858021783 /nfs/dbraw/zinc/02/17/83/858021783.db2.gz HYYDTCVNQXEKLB-NRFANRHFSA-N 0 0 420.900 4.331 20 30 HIEDRN C=CCN(C(=O)c1ccoc1CC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000430088056 858026244 /nfs/dbraw/zinc/02/62/44/858026244.db2.gz GAOQOYMALRAHPM-UHFFFAOYSA-N 0 0 416.524 4.202 20 30 HIEDRN Cc1ccc(C)c(-n2c3nnc(S[C@H]4CC[C@H](C#N)C4)n3c3ccccc3c2=O)c1 ZINC000430095669 858029780 /nfs/dbraw/zinc/02/97/80/858029780.db2.gz DJWUPHSFXWYQGI-IRXDYDNUSA-N 0 0 415.522 4.435 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000430115135 858037479 /nfs/dbraw/zinc/03/74/79/858037479.db2.gz FOUMYYLLBLLTDH-NOZRDPDXSA-N 0 0 400.453 4.260 20 30 HIEDRN N#Cc1ccc(CN[C@@H](CO)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 ZINC000430129828 858045679 /nfs/dbraw/zinc/04/56/79/858045679.db2.gz SHNCXEUVCASEFW-INIZCTEOSA-N 0 0 417.200 4.302 20 30 HIEDRN Cc1cccc(-n2c3nnc(S[C@@H]4CC[C@@H](C#N)C4)n3c3ccccc3c2=O)c1C ZINC000430133001 858047085 /nfs/dbraw/zinc/04/70/85/858047085.db2.gz DPQMSSOFJALFLU-IAGOWNOFSA-N 0 0 415.522 4.435 20 30 HIEDRN C=CCSc1ccccc1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430137981 858049823 /nfs/dbraw/zinc/04/98/23/858049823.db2.gz XKXZQUQMPWOUOF-MRXNPFEDSA-N 0 0 420.372 4.308 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000437649041 862981228 /nfs/dbraw/zinc/98/12/28/862981228.db2.gz HKKZUTINIXEOEH-UNMCSNQZSA-N 0 0 407.514 4.028 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H]2CC23CCCC3)nnc1-c1ccc(Cl)cc1 ZINC000430227684 858089949 /nfs/dbraw/zinc/08/99/49/858089949.db2.gz PBRKTTFKTRZLNP-MRXNPFEDSA-N 0 0 402.951 4.326 20 30 HIEDRN N#CC1(NC(=O)CN2CCC[C@@H]2c2ccc(Br)c(F)c2)CCCCC1 ZINC000430234594 858091965 /nfs/dbraw/zinc/09/19/65/858091965.db2.gz AXRNNMRSYBILKV-QGZVFWFLSA-N 0 0 408.315 4.068 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000430350229 858130101 /nfs/dbraw/zinc/13/01/01/858130101.db2.gz GYROISKFCDAOFD-MRXNPFEDSA-N 0 0 406.294 4.019 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000430352688 858131098 /nfs/dbraw/zinc/13/10/98/858131098.db2.gz MOQBFKIDYPGFRM-MRXNPFEDSA-N 0 0 413.424 4.149 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)c(I)c1 ZINC000430351747 858131103 /nfs/dbraw/zinc/13/11/03/858131103.db2.gz GMVTZEATYLQATJ-UHFFFAOYSA-N 0 0 412.614 4.077 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)c(Cl)c1 ZINC000430360614 858132653 /nfs/dbraw/zinc/13/26/53/858132653.db2.gz TYRSEUHHWVSZAR-INIZCTEOSA-N 0 0 419.815 4.056 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)cc1C#N ZINC000430367309 858135549 /nfs/dbraw/zinc/13/55/49/858135549.db2.gz BMENTWCHCXNMEZ-FCHUYYIVSA-N 0 0 413.477 4.109 20 30 HIEDRN CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430439401 858163781 /nfs/dbraw/zinc/16/37/81/858163781.db2.gz OYUIWYQDSSJHNB-MJGOQNOKSA-N 0 0 407.322 4.074 20 30 HIEDRN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000430481446 858190157 /nfs/dbraw/zinc/19/01/57/858190157.db2.gz TXNOLHRGUQQNLS-ZDUSSCGKSA-N 0 0 412.902 4.372 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1F ZINC000430513503 858205154 /nfs/dbraw/zinc/20/51/54/858205154.db2.gz GABWKXIUJSWIQD-QUCCMNQESA-N 0 0 415.424 4.100 20 30 HIEDRN COc1cc(OC)c(OC)c2[nH]c(C(=O)[C@@H](C#N)c3ncc(C(C)(C)C)s3)cc21 ZINC000430616098 858237144 /nfs/dbraw/zinc/23/71/44/858237144.db2.gz DPJKWUUITFYWMM-GFCCVEGCSA-N 0 0 413.499 4.438 20 30 HIEDRN CC[C@@H](C(=O)N1CCC(NC(=O)c2cccc(SCC#N)c2)CC1)c1ccccc1 ZINC000430720925 858277680 /nfs/dbraw/zinc/27/76/80/858277680.db2.gz BETXALBJWMDAEU-JOCHJYFZSA-N 0 0 421.566 4.217 20 30 HIEDRN C[C@H](c1ccc(C#N)cc1)N1C(=O)CN([C@@H](C)c2cccc(Br)c2)C1=O ZINC000430750350 858288401 /nfs/dbraw/zinc/28/84/01/858288401.db2.gz ZBVFTGRDNSHNSL-UONOGXRCSA-N 0 0 412.287 4.407 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)CO[C@H]3CCCc4ccccc43)ccc21 ZINC000430788523 858306087 /nfs/dbraw/zinc/30/60/87/858306087.db2.gz CEGAGNULJIQSPS-QHCPKHFHSA-N 0 0 417.509 4.302 20 30 HIEDRN C=CCN1C(=O)N(Cc2csc(Br)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430849003 858331861 /nfs/dbraw/zinc/33/18/61/858331861.db2.gz QFXXSWLGZBTKPV-OAHLLOKOSA-N 0 0 405.317 4.072 20 30 HIEDRN N#CCC1(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(Br)cc2)CC1 ZINC000430891425 858356774 /nfs/dbraw/zinc/35/67/74/858356774.db2.gz ZXUOXRLOPURIGC-ZDUSSCGKSA-N 0 0 404.230 4.436 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccccc2N2CCCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430894212 858358155 /nfs/dbraw/zinc/35/81/55/858358155.db2.gz JTURUZMPSYXCQY-QHCPKHFHSA-N 0 0 403.526 4.238 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430919850 858370973 /nfs/dbraw/zinc/37/09/73/858370973.db2.gz SDUVZCZYZSLFEW-PKOBYXMFSA-N 0 0 423.582 4.159 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2ccnc2)c1 ZINC000430920626 858371031 /nfs/dbraw/zinc/37/10/31/858371031.db2.gz PPNQSMZBYLXCPR-UHFFFAOYSA-N 0 0 416.510 4.191 20 30 HIEDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(SCC#N)c2)c1C ZINC000430947410 858378537 /nfs/dbraw/zinc/37/85/37/858378537.db2.gz DSWUTNKJBYOVOP-LJQANCHMSA-N 0 0 411.552 4.073 20 30 HIEDRN C[C@@H]1Sc2ccccc2N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1C ZINC000430999810 858399324 /nfs/dbraw/zinc/39/93/24/858399324.db2.gz NFUHFBKWKYEGQN-HOTGVXAUSA-N 0 0 403.511 4.072 20 30 HIEDRN NC(=O)c1cc(NCC#Cc2ccc(OC(F)(F)F)cc2)c(Cl)cc1Cl ZINC000431098489 858446185 /nfs/dbraw/zinc/44/61/85/858446185.db2.gz CRKDQWIHAURFJE-UHFFFAOYSA-N 0 0 403.187 4.455 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000431132928 858462563 /nfs/dbraw/zinc/46/25/63/858462563.db2.gz PTNNCHLVLRKHEY-UHFFFAOYSA-N 0 0 401.470 4.321 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000431147796 858470600 /nfs/dbraw/zinc/47/06/00/858470600.db2.gz DGZWHFOGIWKKEB-UHFFFAOYSA-N 0 0 406.555 4.389 20 30 HIEDRN C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1noc(Cc2ccccc2)n1 ZINC000431193523 858497609 /nfs/dbraw/zinc/49/76/09/858497609.db2.gz OSAXHVFAMLGQMV-GOSISDBHSA-N 0 0 423.476 4.338 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)COc2cc(F)ccc2Br)cc1 ZINC000431217040 858510075 /nfs/dbraw/zinc/51/00/75/858510075.db2.gz GWSOAAKTGGHJMU-UHFFFAOYSA-N 0 0 421.266 4.313 20 30 HIEDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CSc2ccc(C#N)cc2)cn1 ZINC000431245188 858527694 /nfs/dbraw/zinc/52/76/94/858527694.db2.gz BTXKRNPJISSWEO-UHFFFAOYSA-N 0 0 410.930 4.266 20 30 HIEDRN N#Cc1ccccc1OC1CCC(N2C(=O)[C@H]3C[C@@H](C4CCCCC4)CN3C2=O)CC1 ZINC000431336508 858571056 /nfs/dbraw/zinc/57/10/56/858571056.db2.gz IZYHPLBIJIBEFO-OVESXRPUSA-N 0 0 421.541 4.481 20 30 HIEDRN C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc2c(c1)OCO2 ZINC000431355593 858577527 /nfs/dbraw/zinc/57/75/27/858577527.db2.gz ZLSFMEFHTPHWLM-OAHLLOKOSA-N 0 0 413.433 4.281 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCSC2(CCCCC2)C1 ZINC000431371562 858583342 /nfs/dbraw/zinc/58/33/42/858583342.db2.gz XJJXMNTWKJKZCY-MRXNPFEDSA-N 0 0 417.600 4.298 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(OCC(F)(F)F)c1 ZINC000431459564 858627668 /nfs/dbraw/zinc/62/76/68/858627668.db2.gz SFZXJHAYUHMGNX-UHFFFAOYSA-N 0 0 401.306 4.428 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431471342 858632207 /nfs/dbraw/zinc/63/22/07/858632207.db2.gz LCXRGXWUGOMVSD-ZWKOTPCHSA-N 0 0 414.259 4.269 20 30 HIEDRN COc1ccc2c(c1)[C@H](C(=O)Nc1nnc(SCc3ccc(C#N)cc3)s1)CC2 ZINC000431472907 858632828 /nfs/dbraw/zinc/63/28/28/858632828.db2.gz SEVLKLYZNLNBJX-QGZVFWFLSA-N 0 0 422.535 4.379 20 30 HIEDRN CN1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000431473143 858633369 /nfs/dbraw/zinc/63/33/69/858633369.db2.gz UBUSOCZOICCLKJ-BHIFYINESA-N 0 0 412.484 4.444 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000431553808 858668092 /nfs/dbraw/zinc/66/80/92/858668092.db2.gz VSHFYIHMJUYWBL-KRWDZBQOSA-N 0 0 424.570 4.407 20 30 HIEDRN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)Nc1cccc(C#Cc3ccccc3)c1)C[C@H](C)O2 ZINC000431606180 858686461 /nfs/dbraw/zinc/68/64/61/858686461.db2.gz SPSGYZBNBAAABE-RNHFSVANSA-N 0 0 404.510 4.277 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000431622733 858694747 /nfs/dbraw/zinc/69/47/47/858694747.db2.gz GYIBGASFDXFGCU-OAHLLOKOSA-N 0 0 411.296 4.302 20 30 HIEDRN C=CCN1C(=O)N([C@H](C[C@H]2CCOC2)c2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431759976 858795620 /nfs/dbraw/zinc/79/56/20/858795620.db2.gz VYTCBGWONUUJPR-YMPZKCBVSA-N 0 0 404.510 4.216 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431765849 858801798 /nfs/dbraw/zinc/80/17/98/858801798.db2.gz DXWYAGNQINBNQP-UHFFFAOYSA-N 0 0 402.248 4.281 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431784931 858811049 /nfs/dbraw/zinc/81/10/49/858811049.db2.gz ZNTMMFMFHYDGHR-UHFFFAOYSA-N 0 0 405.248 4.194 20 30 HIEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000431854575 858840577 /nfs/dbraw/zinc/84/05/77/858840577.db2.gz COZCYZINAAHMBS-OAQYLSRUSA-N 0 0 407.518 4.451 20 30 HIEDRN CC(C)(CNC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000431870575 858848000 /nfs/dbraw/zinc/84/80/00/858848000.db2.gz JIEGBLAULHXYCL-HXUWFJFHSA-N 0 0 407.514 4.470 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000431873695 858849752 /nfs/dbraw/zinc/84/97/52/858849752.db2.gz ZCCZGCXOOIFYOO-GFCCVEGCSA-N 0 0 406.511 4.273 20 30 HIEDRN C[C@H]1CN(Cc2cccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)CCO1 ZINC000431873428 858849898 /nfs/dbraw/zinc/84/98/98/858849898.db2.gz UCCCQNLGQUZDDB-RDPSFJRHSA-N 0 0 420.557 4.142 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000431875241 858850770 /nfs/dbraw/zinc/85/07/70/858850770.db2.gz KPMAKFSRYMISQC-UHFFFAOYSA-N 0 0 409.442 4.059 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000467532359 881351813 /nfs/dbraw/zinc/35/18/13/881351813.db2.gz JUAJTUUBIYEPNO-JOCHJYFZSA-N 0 0 420.557 4.390 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000431911474 858866616 /nfs/dbraw/zinc/86/66/16/858866616.db2.gz IISHRPWSDFOLJP-OAQYLSRUSA-N 0 0 413.449 4.032 20 30 HIEDRN CCc1ccc([C@H](c2cccnc2)N(CC)S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000431911174 858866966 /nfs/dbraw/zinc/86/69/66/858866966.db2.gz YDWCMKCLIHOPKW-XMMPIXPASA-N 0 0 419.550 4.457 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)s1 ZINC000431914005 858868425 /nfs/dbraw/zinc/86/84/25/858868425.db2.gz PCRNYGWFTUFOBO-UHFFFAOYSA-N 0 0 401.245 4.217 20 30 HIEDRN CCN([C@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431922422 858871185 /nfs/dbraw/zinc/87/11/85/858871185.db2.gz DWODCNDJKOKWOT-OAQYLSRUSA-N 0 0 411.914 4.407 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 ZINC000431938627 858878795 /nfs/dbraw/zinc/87/87/95/858878795.db2.gz OUYRFZFSIDKGRN-IEBWSBKVSA-N 0 0 410.905 4.180 20 30 HIEDRN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431952628 858884498 /nfs/dbraw/zinc/88/44/98/858884498.db2.gz GIZCTENGVAAEQS-CYBMUJFWSA-N 0 0 422.485 4.254 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000431967863 858893423 /nfs/dbraw/zinc/89/34/23/858893423.db2.gz WDQQNMUPNGNYHB-UZUQRXQVSA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@]2(CCOC2)O1 ZINC000431971644 858895790 /nfs/dbraw/zinc/89/57/90/858895790.db2.gz LBBAEKOXFVGRMF-AUSIDOKSSA-N 0 0 407.470 4.152 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000431983568 858903273 /nfs/dbraw/zinc/90/32/73/858903273.db2.gz DSPKTWXHFSQHGF-UZUQRXQVSA-N 0 0 407.470 4.071 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000431995521 858911798 /nfs/dbraw/zinc/91/17/98/858911798.db2.gz MRXZKKYHWHQNNB-UHFFFAOYSA-N 0 0 401.388 4.015 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000432008668 858922849 /nfs/dbraw/zinc/92/28/49/858922849.db2.gz RMSDMWQBEHYPHA-HNNXBMFYSA-N 0 0 413.783 4.094 20 30 HIEDRN C=CCOc1c(Br)cc(CN2CCCC[C@H]2c2ccnn2C)cc1OC ZINC000467542468 881364525 /nfs/dbraw/zinc/36/45/25/881364525.db2.gz ZKGXIFNKXHAAPE-SFHVURJKSA-N 0 0 420.351 4.483 20 30 HIEDRN COc1cc2c(c(OC)c1OC)CCN(c1c(C#N)cnc3ccc(Cl)cc31)CC2 ZINC000432057433 858956020 /nfs/dbraw/zinc/95/60/20/858956020.db2.gz MTKWPEJIMZZKKK-UHFFFAOYSA-N 0 0 423.900 4.391 20 30 HIEDRN N#Cc1csc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000432077064 858972717 /nfs/dbraw/zinc/97/27/17/858972717.db2.gz FNTWBANXZMBFMH-UHFFFAOYSA-N 0 0 401.245 4.217 20 30 HIEDRN Cc1ccc(CN(CCO)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 ZINC000432080034 858973951 /nfs/dbraw/zinc/97/39/51/858973951.db2.gz VBRFQLPTJCOMGK-UHFFFAOYSA-N 0 0 423.444 4.204 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)c1 ZINC000432093889 858985213 /nfs/dbraw/zinc/98/52/13/858985213.db2.gz SEFZVOHAIHYZNR-ZDUSSCGKSA-N 0 0 416.211 4.322 20 30 HIEDRN C[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc2c(c1)OCO2 ZINC000432140485 859012540 /nfs/dbraw/zinc/01/25/40/859012540.db2.gz QUELFYTYSKXHJJ-ZCQLHAAUSA-N 0 0 411.461 4.482 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000432169793 859027770 /nfs/dbraw/zinc/02/77/70/859027770.db2.gz CGQUAMSXZNIZIL-UHFFFAOYSA-N 0 0 400.438 4.493 20 30 HIEDRN COC(=O)[C@H](NCc1ccc(OCc2cccc(C)c2)cc1)c1cccc(C#N)c1 ZINC000432245855 859065624 /nfs/dbraw/zinc/06/56/24/859065624.db2.gz LGOZBGJFINGSIN-XMMPIXPASA-N 0 0 400.478 4.450 20 30 HIEDRN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)Nc1ccccc1C#Cc1ccccc1)C[C@H](C)O2 ZINC000432245757 859065668 /nfs/dbraw/zinc/06/56/68/859065668.db2.gz JUWRKLCRNKJVJI-RNHFSVANSA-N 0 0 404.510 4.277 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000432258019 859072222 /nfs/dbraw/zinc/07/22/22/859072222.db2.gz JCNJOPKEYCFWDR-GOSISDBHSA-N 0 0 400.276 4.235 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000432283833 859084245 /nfs/dbraw/zinc/08/42/45/859084245.db2.gz JGMOMYIMEWAELZ-UHFFFAOYSA-N 0 0 410.524 4.133 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000432302639 859093382 /nfs/dbraw/zinc/09/33/82/859093382.db2.gz NPSNYSUWVRUDQK-JOCHJYFZSA-N 0 0 412.493 4.446 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)c1 ZINC000432304776 859094447 /nfs/dbraw/zinc/09/44/47/859094447.db2.gz CLYQGBFGCFKYNM-CYBMUJFWSA-N 0 0 400.809 4.457 20 30 HIEDRN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432336581 859107583 /nfs/dbraw/zinc/10/75/83/859107583.db2.gz QQMARWLTNVFWDO-OYHNWAKOSA-N 0 0 413.905 4.213 20 30 HIEDRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C#N)c1C ZINC000432337306 859108948 /nfs/dbraw/zinc/10/89/48/859108948.db2.gz QUWBFXDOUASCGY-INIZCTEOSA-N 0 0 401.304 4.463 20 30 HIEDRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000467559591 881382781 /nfs/dbraw/zinc/38/27/81/881382781.db2.gz JEBLQKOBISUATJ-HOTGVXAUSA-N 0 0 408.317 4.439 20 30 HIEDRN C[C@@H](C#N)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000432352077 859115973 /nfs/dbraw/zinc/11/59/73/859115973.db2.gz VEWHOPBROZEOQR-ZDUSSCGKSA-N 0 0 418.444 4.224 20 30 HIEDRN N#CC1CCC(CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432361341 859121825 /nfs/dbraw/zinc/12/18/25/859121825.db2.gz DFNOTITZQXMZGY-DAWZGUTISA-N 0 0 404.352 4.353 20 30 HIEDRN CC[C@H](c1ccccc1)N1CC(=O)N(C2CCC(Oc3ccc(C#N)cn3)CC2)C1=O ZINC000432390190 859140177 /nfs/dbraw/zinc/14/01/77/859140177.db2.gz YMMOGPUQGXRHAS-XVAXZDLZSA-N 0 0 418.497 4.059 20 30 HIEDRN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(C#N)cc(N(C)C)c3)c2)cc1 ZINC000432391841 859141110 /nfs/dbraw/zinc/14/11/10/859141110.db2.gz OAWLBPJLZBOKJP-UHFFFAOYSA-N 0 0 412.493 4.115 20 30 HIEDRN CN(C)c1cccc(CN(C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000432405222 859148973 /nfs/dbraw/zinc/14/89/73/859148973.db2.gz WFYLVZFQXQCCSE-UHFFFAOYSA-N 0 0 406.530 4.156 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC)c2cccnc12)c1ccccc1 ZINC000467564759 881388275 /nfs/dbraw/zinc/38/82/75/881388275.db2.gz DZFKBGMERXGXSQ-IBGZPJMESA-N 0 0 403.482 4.396 20 30 HIEDRN CCc1ccc([C@@H](NC(=O)Cn2nc(C#N)c3ccccc32)c2cccs2)cc1 ZINC000432469321 859179054 /nfs/dbraw/zinc/17/90/54/859179054.db2.gz NTLODWAVDSAWND-HSZRJFAPSA-N 0 0 400.507 4.438 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000432469702 859179099 /nfs/dbraw/zinc/17/90/99/859179099.db2.gz PLLHIEIJIMLOPT-UHFFFAOYSA-N 0 0 400.829 4.311 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000432489304 859189895 /nfs/dbraw/zinc/18/98/95/859189895.db2.gz OWZBALDOYBNYCX-UHFFFAOYSA-N 0 0 421.888 4.204 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1NCC(F)(F)F ZINC000432524831 859208770 /nfs/dbraw/zinc/20/87/70/859208770.db2.gz FERSBQGTFBPLLL-UHFFFAOYSA-N 0 0 404.392 4.280 20 30 HIEDRN Cc1ccccc1-c1nc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)no1 ZINC000432536614 859214997 /nfs/dbraw/zinc/21/49/97/859214997.db2.gz RFGDBJVOJDHRDS-UHFFFAOYSA-N 0 0 414.421 4.019 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000432557617 859225878 /nfs/dbraw/zinc/22/58/78/859225878.db2.gz MNQXBQQHWZTAAX-QGZVFWFLSA-N 0 0 401.555 4.030 20 30 HIEDRN CCCc1c(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(C)cc1 ZINC000432569437 859231343 /nfs/dbraw/zinc/23/13/43/859231343.db2.gz OSXVMJBFTMZREL-UHFFFAOYSA-N 0 0 421.888 4.236 20 30 HIEDRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2cccc(OCCCC#N)c2)s1 ZINC000432644703 859269590 /nfs/dbraw/zinc/26/95/90/859269590.db2.gz LEXFNIRIXMSSRA-LJQANCHMSA-N 0 0 421.526 4.290 20 30 HIEDRN COc1ccc2c(c1)[C@@H](C(=O)Nc1c(C#N)c(SC)nn1-c1ccccc1)CC2 ZINC000432715921 859314579 /nfs/dbraw/zinc/31/45/79/859314579.db2.gz GUDMNOFWUGIAOI-KRWDZBQOSA-N 0 0 404.495 4.143 20 30 HIEDRN Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)cn1 ZINC000432724669 859320701 /nfs/dbraw/zinc/32/07/01/859320701.db2.gz HCAODPWKRSPJAB-GHTZIAJQSA-N 0 0 422.872 4.454 20 30 HIEDRN N#CCCn1cc(CNc2ccc(Oc3ccc(F)cc3)cn2)c(-c2ccncc2)n1 ZINC000432747424 859332497 /nfs/dbraw/zinc/33/24/97/859332497.db2.gz NXDVMUSYQUPFGY-UHFFFAOYSA-N 0 0 414.444 4.797 20 30 HIEDRN Cc1cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1Oc1cccnc1 ZINC000432757696 859337964 /nfs/dbraw/zinc/33/79/64/859337964.db2.gz BZNFMFFIWNRZQB-HXUWFJFHSA-N 0 0 415.453 4.134 20 30 HIEDRN CC(C)C[C@H]1C(=O)NCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000432759514 859339212 /nfs/dbraw/zinc/33/92/12/859339212.db2.gz VKFJSBYKLFBVFF-NRFANRHFSA-N 0 0 406.486 4.119 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000432767134 859346540 /nfs/dbraw/zinc/34/65/40/859346540.db2.gz SICFSDLXGKMYJA-UHFFFAOYSA-N 0 0 422.485 4.466 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000432767660 859347488 /nfs/dbraw/zinc/34/74/88/859347488.db2.gz UIFUCUOUIYNFLJ-GOSISDBHSA-N 0 0 405.498 4.316 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000432836422 859380718 /nfs/dbraw/zinc/38/07/18/859380718.db2.gz USBUGYILHILLAV-SFHVURJKSA-N 0 0 414.303 4.022 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000432838789 859381873 /nfs/dbraw/zinc/38/18/73/859381873.db2.gz HQXSFWYGWSOFBB-GOSISDBHSA-N 0 0 402.281 4.417 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000432841855 859384026 /nfs/dbraw/zinc/38/40/26/859384026.db2.gz WHHDEDOELWEDQH-SFHVURJKSA-N 0 0 402.281 4.417 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)c1 ZINC000432899639 859417513 /nfs/dbraw/zinc/41/75/13/859417513.db2.gz LSZDVNJACOWSPW-HSZRJFAPSA-N 0 0 409.493 4.030 20 30 HIEDRN Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCCC(C)C ZINC000432946394 859441302 /nfs/dbraw/zinc/44/13/02/859441302.db2.gz BSJCNOXKVNCZHC-HXUWFJFHSA-N 0 0 408.502 4.372 20 30 HIEDRN CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000432953840 859446491 /nfs/dbraw/zinc/44/64/91/859446491.db2.gz KDNHHLWTXLNWDU-KRWDZBQOSA-N 0 0 420.922 4.268 20 30 HIEDRN N#Cc1cc(NC(=O)NC2(CCO)CC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000432968141 859453964 /nfs/dbraw/zinc/45/39/64/859453964.db2.gz VODIBEHZOMAQQL-UHFFFAOYSA-N 0 0 405.376 4.406 20 30 HIEDRN Cc1ccc(-c2ccc(C)c(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)o1 ZINC000432973448 859457310 /nfs/dbraw/zinc/45/73/10/859457310.db2.gz PMEAOEMTHATLOC-UHFFFAOYSA-N 0 0 401.470 4.184 20 30 HIEDRN Cc1ccc(CNC(=O)c2nnc(CN[C@@H](CCCC#N)c3ccccc3)s2)cc1 ZINC000433007527 859474821 /nfs/dbraw/zinc/47/48/21/859474821.db2.gz ACRRTHJQNGWUSJ-FQEVSTJZSA-N 0 0 419.554 4.301 20 30 HIEDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000433018145 859480988 /nfs/dbraw/zinc/48/09/88/859480988.db2.gz FGLAXDCBEACCFB-LJQANCHMSA-N 0 0 408.502 4.344 20 30 HIEDRN CN(CC(C)(C)C#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000433018408 859481068 /nfs/dbraw/zinc/48/10/68/859481068.db2.gz DTYAZGQNBDZTGT-UHFFFAOYSA-N 0 0 404.923 4.345 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(Cl)cc3-n3cccc3)C2)nc1 ZINC000433122802 859529108 /nfs/dbraw/zinc/52/91/08/859529108.db2.gz WZBVYTJEDPEKSX-KRWDZBQOSA-N 0 0 407.861 4.083 20 30 HIEDRN C[C@@H](c1ccccc1)[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(N)=O ZINC000433128789 859532146 /nfs/dbraw/zinc/53/21/46/859532146.db2.gz XTUSPLZSYKYBRA-AOMKIAJQSA-N 0 0 414.465 4.130 20 30 HIEDRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000433137867 859535325 /nfs/dbraw/zinc/53/53/25/859535325.db2.gz VKMMNPPLZDWSFC-HXOBKFHXSA-N 0 0 423.538 4.287 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(N2CCOCC2)c1 ZINC000433138548 859537006 /nfs/dbraw/zinc/53/70/06/859537006.db2.gz SOJBRAFBSFQYDT-QGZVFWFLSA-N 0 0 410.543 4.097 20 30 HIEDRN Cc1c(F)ccc(Cl)c1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433142769 859538223 /nfs/dbraw/zinc/53/82/23/859538223.db2.gz FJEBKCZXOMWOIY-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1OCCc2sccc21 ZINC000433144347 859538961 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COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433217792 859572774 /nfs/dbraw/zinc/57/27/74/859572774.db2.gz DGHHBEIRBRHQPA-MRXNPFEDSA-N 0 0 406.404 4.442 20 30 HIEDRN CN(c1ccccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCC1 ZINC000433256254 859595775 /nfs/dbraw/zinc/59/57/75/859595775.db2.gz KLOPTDCRXYWGEH-LJQANCHMSA-N 0 0 405.502 4.017 20 30 HIEDRN Cc1cc(C)c(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000433263240 859599533 /nfs/dbraw/zinc/59/95/33/859599533.db2.gz ULHVGRROKAFMFB-HNNXBMFYSA-N 0 0 415.291 4.018 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000467645400 881440473 /nfs/dbraw/zinc/44/04/73/881440473.db2.gz DVPZZPOJZNPVNU-UHFFFAOYSA-N 0 0 414.546 4.104 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NCC2(CO)CC3(CCC3)C2)cc1 ZINC000433266446 859602306 /nfs/dbraw/zinc/60/23/06/859602306.db2.gz UYWXSVYEEMUJFE-UHFFFAOYSA-N 0 0 419.525 4.396 20 30 HIEDRN CC1(C)CN(CC(=O)Nc2sccc2C#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433301991 859625428 /nfs/dbraw/zinc/62/54/28/859625428.db2.gz WRMOPFSSYJPLKA-INIZCTEOSA-N 0 0 423.460 4.429 20 30 HIEDRN CC1(C)CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433317814 859636077 /nfs/dbraw/zinc/63/60/77/859636077.db2.gz DVJCNCIMJSIADU-SFHVURJKSA-N 0 0 423.479 4.200 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000433325498 859643394 /nfs/dbraw/zinc/64/33/94/859643394.db2.gz JFRGZQVIZZLUJW-UHFFFAOYSA-N 0 0 403.511 4.141 20 30 HIEDRN N#CCCn1cc(CNc2ccc(-n3cccn3)c(Cl)c2)c(-c2ccncc2)n1 ZINC000433337452 859652508 /nfs/dbraw/zinc/65/25/08/859652508.db2.gz ZAADJTSHSKUYHV-UHFFFAOYSA-N 0 0 403.877 4.310 20 30 HIEDRN N#CCCn1cc(CNc2cnn(-c3ccc(Cl)cc3)c2)c(-c2ccncc2)n1 ZINC000433337500 859652877 /nfs/dbraw/zinc/65/28/77/859652877.db2.gz SJYMPDVIBMQRDS-UHFFFAOYSA-N 0 0 403.877 4.310 20 30 HIEDRN C=CCn1c(SCc2nc3oc(C)c(C)c3c(N)n2)nnc1-c1ccccc1F ZINC000433376267 859664244 /nfs/dbraw/zinc/66/42/44/859664244.db2.gz ZVAUGNUVLQXVIU-UHFFFAOYSA-N 0 0 410.478 4.298 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433429665 859696779 /nfs/dbraw/zinc/69/67/79/859696779.db2.gz GFBXDHCCFHEBDY-UHFFFAOYSA-N 0 0 404.426 4.351 20 30 HIEDRN C=CC[C@@H](CO)NC(=O)C/C(=C\c1cccc(OC)c1)c1nc2ccccc2s1 ZINC000467662333 881455577 /nfs/dbraw/zinc/45/55/77/881455577.db2.gz QWTXQNGFSABWSX-WQJNHMDYSA-N 0 0 408.523 4.289 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2cnoc2-c2ccc(Cl)s2)cc1 ZINC000433496695 859735360 /nfs/dbraw/zinc/73/53/60/859735360.db2.gz MBSIHSAEUFMSTM-UHFFFAOYSA-N 0 0 423.947 4.475 20 30 HIEDRN Cc1nc(NC(=O)c2cc(C#N)cn2C)sc1-c1nc2ccccc2n1C(F)F ZINC000433510871 859744548 /nfs/dbraw/zinc/74/45/48/859744548.db2.gz PADWZMYVDVXVTG-UHFFFAOYSA-N 0 0 412.425 4.326 20 30 HIEDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000433554441 859774328 /nfs/dbraw/zinc/77/43/28/859774328.db2.gz KFCXAXUJAQKGEC-QMHKHESXSA-N 0 0 402.450 4.194 20 30 HIEDRN CCOc1nccc(C)c1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000433576877 859789600 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20 30 HIEDRN C=C(C)[C@@H](NC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1)c1ccc(F)c(F)c1 ZINC000433692284 859839493 /nfs/dbraw/zinc/83/94/93/859839493.db2.gz ALNRDYKRHYBHMS-LJQANCHMSA-N 0 0 403.429 4.290 20 30 HIEDRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000433695153 859840178 /nfs/dbraw/zinc/84/01/78/859840178.db2.gz UJDJVCFTUPIKPN-FCHUYYIVSA-N 0 0 410.539 4.172 20 30 HIEDRN Cc1c(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cccc1C(=O)Nc1ccccc1 ZINC000433695200 859841163 /nfs/dbraw/zinc/84/11/63/859841163.db2.gz URUZCFSICXWKCP-QHCPKHFHSA-N 0 0 410.477 4.336 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000433698166 859842050 /nfs/dbraw/zinc/84/20/50/859842050.db2.gz UINZKMDOCAAIGY-UZLBHIALSA-N 0 0 422.554 4.160 20 30 HIEDRN COc1ccc(NC(=O)c2cc(C#N)cn2C)cc1OCc1ccc2ccccc2n1 ZINC000433711856 859848677 /nfs/dbraw/zinc/84/86/77/859848677.db2.gz GCRWNRVSUPQQIB-UHFFFAOYSA-N 0 0 412.449 4.285 20 30 HIEDRN CN(C(=O)c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1)c1ccccc1 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CCc1csc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n1 ZINC000435006687 860594348 /nfs/dbraw/zinc/59/43/48/860594348.db2.gz AFIMOBAPCVBQAN-UHFFFAOYSA-N 0 0 420.494 4.042 20 30 HIEDRN N#Cc1cccc(CNC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1 ZINC000435010985 860596168 /nfs/dbraw/zinc/59/61/68/860596168.db2.gz DYVNDMXGBFHKSN-UHFFFAOYSA-N 0 0 402.237 4.362 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000435020317 860601790 /nfs/dbraw/zinc/60/17/90/860601790.db2.gz OJEHMCQMCIJOSM-UHFFFAOYSA-N 0 0 414.509 4.282 20 30 HIEDRN N#Cc1ccc2ncc(CN3CCC(Nc4cccc(Br)c4)CC3)n2c1 ZINC000435027547 860605963 /nfs/dbraw/zinc/60/59/63/860605963.db2.gz MVVCPKLTMVUNQD-UHFFFAOYSA-N 0 0 410.319 4.045 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc3)CC2)c1 ZINC000435041880 860612367 /nfs/dbraw/zinc/61/23/67/860612367.db2.gz RJYJYGGGVNXESU-UHFFFAOYSA-N 0 0 413.452 4.298 20 30 HIEDRN C=C(C)[C@@H](NC(=O)Nc1cc(S(C)(=O)=O)cc(C)c1C)c1ccc(F)c(F)c1 ZINC000435087216 860636049 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CCCc1c(NC(=O)Nc2ccc(OC)c(OC)c2)cnn1-c1cccc(C#N)c1 ZINC000439228802 864646844 /nfs/dbraw/zinc/64/68/44/864646844.db2.gz ISKNZNITIXYWHJ-UHFFFAOYSA-N 0 0 405.458 4.358 20 30 HIEDRN Cc1cc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)n[nH]1 ZINC000439230224 864648078 /nfs/dbraw/zinc/64/80/78/864648078.db2.gz RGUUZNZUGPMCKR-UHFFFAOYSA-N 0 0 416.485 4.173 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc(F)c(NC(C)=O)c2)cnn1-c1cccc(C#N)c1 ZINC000439237832 864653649 /nfs/dbraw/zinc/65/36/49/864653649.db2.gz OMUQTMOCCRTABC-UHFFFAOYSA-N 0 0 420.448 4.438 20 30 HIEDRN Cc1cncc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 ZINC000439322384 864758328 /nfs/dbraw/zinc/75/83/28/864758328.db2.gz VJWXWDVNDYWTNK-UHFFFAOYSA-N 0 0 420.856 4.071 20 30 HIEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000439323393 864759945 /nfs/dbraw/zinc/75/99/45/864759945.db2.gz CBBSFAHRXDCAIF-GFCCVEGCSA-N 0 0 412.902 4.316 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c1 ZINC000439342365 864781850 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Cn1cc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)n1 ZINC000439392165 864816191 /nfs/dbraw/zinc/81/61/91/864816191.db2.gz KHSNWYQYHPQTDT-UHFFFAOYSA-N 0 0 415.375 4.425 20 30 HIEDRN Cc1nc2ccc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2o1 ZINC000439392361 864816203 /nfs/dbraw/zinc/81/62/03/864816203.db2.gz MFFXHWOVMGWYPP-UHFFFAOYSA-N 0 0 412.405 4.377 20 30 HIEDRN COc1cc(C)c(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1F ZINC000439391392 864816329 /nfs/dbraw/zinc/81/63/29/864816329.db2.gz DDIKBCOCXJMZLJ-UHFFFAOYSA-N 0 0 419.412 4.384 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3cc(F)c(F)cc3F)c2)cc1 ZINC000439396252 864817500 /nfs/dbraw/zinc/81/75/00/864817500.db2.gz XUEAOEPGPIBCIK-UHFFFAOYSA-N 0 0 411.339 4.345 20 30 HIEDRN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2ccccc2O1 ZINC000439411984 864822836 /nfs/dbraw/zinc/82/28/36/864822836.db2.gz VZTJLMAEYOBIJN-INIZCTEOSA-N 0 0 413.433 4.103 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1)c1ccccc1 ZINC000439419512 864825774 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HIEDRN Cc1ccncc1N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000439489089 864849670 /nfs/dbraw/zinc/84/96/70/864849670.db2.gz CJJNJSSVAGPMCN-UHFFFAOYSA-N 0 0 413.481 4.408 20 30 HIEDRN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000439487790 864849685 /nfs/dbraw/zinc/84/96/85/864849685.db2.gz VYOVVFNIHLDJFY-AOMKIAJQSA-N 0 0 409.509 4.165 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(c2nccs2)CC1 ZINC000439497232 864853971 /nfs/dbraw/zinc/85/39/71/864853971.db2.gz IAMIKAYWQQLHEW-CQSZACIVSA-N 0 0 401.561 4.185 20 30 HIEDRN Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000439514831 864859614 /nfs/dbraw/zinc/85/96/14/864859614.db2.gz CQSRJJNDIVNSTR-ZDUSSCGKSA-N 0 0 410.474 4.110 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1nc(-c2cccc(O)c2)cs1)c1ccccc1 ZINC000439517348 864860293 /nfs/dbraw/zinc/86/02/93/864860293.db2.gz CGSHPFIKGORTSI-UHFFFAOYSA-N 0 0 420.494 4.181 20 30 HIEDRN COc1ccc(CN(C)C(=O)CSCc2ccc(C#N)cc2OC(F)F)cc1F ZINC000439543154 864871948 /nfs/dbraw/zinc/87/19/48/864871948.db2.gz RGNLMSWZGHCYNU-UHFFFAOYSA-N 0 0 424.444 4.199 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000439545006 864873245 /nfs/dbraw/zinc/87/32/45/864873245.db2.gz CPKPQUPVZWGOPB-AWEZNQCLSA-N 0 0 414.893 4.054 20 30 HIEDRN CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 ZINC000439546983 864874243 /nfs/dbraw/zinc/87/42/43/864874243.db2.gz GIGDDXRFSGQNFJ-AWEZNQCLSA-N 0 0 405.882 4.377 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cccc(OCC(F)(F)F)c1 ZINC000439547740 864875215 /nfs/dbraw/zinc/87/52/15/864875215.db2.gz HUOVRLXTTXQLIK-OAHLLOKOSA-N 0 0 421.419 4.384 20 30 HIEDRN COc1ccc(-c2nc(SCc3ccc(C#N)cc3OC(F)F)n[nH]2)c(OC)c1 ZINC000439549004 864876063 /nfs/dbraw/zinc/87/60/63/864876063.db2.gz ZLLZIOQUQIONNM-UHFFFAOYSA-N 0 0 418.425 4.254 20 30 HIEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N(CC1CC1)C1CCCCC1 ZINC000439559208 864885823 /nfs/dbraw/zinc/88/58/23/864885823.db2.gz BXEZGFDHPMYPGK-UHFFFAOYSA-N 0 0 418.497 4.255 20 30 HIEDRN CCc1noc(COc2ccc(OCc3ccc(C#N)cc3OC(F)F)cc2)n1 ZINC000439562745 864887498 /nfs/dbraw/zinc/88/74/98/864887498.db2.gz UQQIAHBVZDMLTK-UHFFFAOYSA-N 0 0 401.369 4.263 20 30 HIEDRN CN(C(=O)c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1)C1CCOCC1 ZINC000439563190 864888784 /nfs/dbraw/zinc/88/87/84/864888784.db2.gz VRNCALZBLNKYMO-UHFFFAOYSA-N 0 0 415.440 4.023 20 30 HIEDRN C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000439567629 864890957 /nfs/dbraw/zinc/89/09/57/864890957.db2.gz FRGONQJEXBVVRB-GOSISDBHSA-N 0 0 422.504 4.085 20 30 HIEDRN C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000439571851 864893448 /nfs/dbraw/zinc/89/34/48/864893448.db2.gz PFQLAOMHVLIBCA-LJQANCHMSA-N 0 0 400.482 4.408 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000467945456 881814118 /nfs/dbraw/zinc/81/41/18/881814118.db2.gz JNUFQCKFOXNBEN-UHFFFAOYSA-N 0 0 407.923 4.322 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000439585492 864908756 /nfs/dbraw/zinc/90/87/56/864908756.db2.gz YYBRSHNZBSJCCR-GOSISDBHSA-N 0 0 415.497 4.208 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000439585020 864908953 /nfs/dbraw/zinc/90/89/53/864908953.db2.gz FOJKVRXFUDGUMM-UHFFFAOYSA-N 0 0 414.731 4.219 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000439588765 864911145 /nfs/dbraw/zinc/91/11/45/864911145.db2.gz OUAFBJPHFBUMKJ-UHFFFAOYSA-N 0 0 409.534 4.248 20 30 HIEDRN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N(CCC#N)CCC(C)C ZINC000439592738 864916401 /nfs/dbraw/zinc/91/64/01/864916401.db2.gz USRRNTAJCISWFG-UHFFFAOYSA-N 0 0 407.514 4.301 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000439596121 864918863 /nfs/dbraw/zinc/91/88/63/864918863.db2.gz OXRANOIOESEFMD-UHFFFAOYSA-N 0 0 413.518 4.235 20 30 HIEDRN C[C@H](Nc1ccc(Br)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000439649038 864975419 /nfs/dbraw/zinc/97/54/19/864975419.db2.gz XMBXAULNJAQVIU-VIFPVBQESA-N 0 0 408.296 4.449 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1 ZINC000439652670 864979460 /nfs/dbraw/zinc/97/94/60/864979460.db2.gz RADIUODUJXDBBT-UHFFFAOYSA-N 0 0 415.415 4.487 20 30 HIEDRN N#CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000439652991 864979519 /nfs/dbraw/zinc/97/95/19/864979519.db2.gz JJQLMEXQWANTFX-QFIPXVFZSA-N 0 0 415.493 4.390 20 30 HIEDRN Cc1nnc(SCC(=O)N[C@H](CCC#N)c2ccccc2)n1-c1cc(C)ccc1C ZINC000439658195 864986092 /nfs/dbraw/zinc/98/60/92/864986092.db2.gz LLRQQBXUIRJABQ-HXUWFJFHSA-N 0 0 419.554 4.446 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000439658464 864986172 /nfs/dbraw/zinc/98/61/72/864986172.db2.gz NXOGGNZTETWZNV-HSZRJFAPSA-N 0 0 418.518 4.435 20 30 HIEDRN COc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)c(I)c1 ZINC000439667939 864998296 /nfs/dbraw/zinc/99/82/96/864998296.db2.gz MFMIHFGAOQXQGL-QGZVFWFLSA-N 0 0 420.250 4.075 20 30 HIEDRN N#CCC[C@H](NC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)c1ccccc1 ZINC000439671856 865004800 /nfs/dbraw/zinc/00/48/00/865004800.db2.gz PZTZOSAWOLPJTC-MJGOQNOKSA-N 0 0 405.527 4.069 20 30 HIEDRN COc1ccc(-c2noc(CCCC(=O)N[C@H](CCC#N)c3ccccc3)n2)cc1 ZINC000439673733 865007098 /nfs/dbraw/zinc/00/70/98/865007098.db2.gz OFIOJUITBBBVRF-HXUWFJFHSA-N 0 0 404.470 4.229 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](CCC#N)c2ccccc2)nnc1-c1ccco1 ZINC000439675376 865008712 /nfs/dbraw/zinc/00/87/12/865008712.db2.gz SXUKKSLHEFPCAO-SFHVURJKSA-N 0 0 421.526 4.368 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cnn1-c1cccc(C#N)c1 ZINC000439675936 865009420 /nfs/dbraw/zinc/00/94/20/865009420.db2.gz TZQKWWPHEVSOOP-HNNXBMFYSA-N 0 0 413.485 4.455 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@H]2CCOc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000439683594 865018837 /nfs/dbraw/zinc/01/88/37/865018837.db2.gz PHHWKVRTLKYNPJ-SFHVURJKSA-N 0 0 415.497 4.384 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cnn1-c1cccc(C#N)c1 ZINC000439684181 865019456 /nfs/dbraw/zinc/01/94/56/865019456.db2.gz ABAPPEXYHDDQJR-QIJUGHKUSA-N 0 0 419.529 4.166 20 30 HIEDRN COc1ccc([C@@H]2CCCCCN2C(=O)CN(C#N)c2ccc(F)c(C#N)c2)cc1 ZINC000439692200 865029974 /nfs/dbraw/zinc/02/99/74/865029974.db2.gz CWKWGZLSWNAJJN-QFIPXVFZSA-N 0 0 406.461 4.137 20 30 HIEDRN CCCc1c(NC(=O)NCCc2sc(C)nc2C)cnn1-c1cccc(C#N)c1 ZINC000439695661 865032323 /nfs/dbraw/zinc/03/23/23/865032323.db2.gz ZRGNFPFUKSLHAR-UHFFFAOYSA-N 0 0 408.531 4.134 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H](CCOC)c2ccc(C)o2)cnn1-c1cccc(C#N)c1 ZINC000439703534 865040732 /nfs/dbraw/zinc/04/07/32/865040732.db2.gz QPOUUUOKALDVEV-IBGZPJMESA-N 0 0 421.501 4.497 20 30 HIEDRN C=CCN(C(=O)Nc1ccc(F)c(C2CC2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000439802177 865119884 /nfs/dbraw/zinc/11/98/84/865119884.db2.gz SWZVGISIPOEDEE-OAHLLOKOSA-N 0 0 406.465 4.460 20 30 HIEDRN C=CCOc1ccc(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cc1 ZINC000439908638 865218756 /nfs/dbraw/zinc/21/87/56/865218756.db2.gz IIKNMZUXBHFMDF-GOSISDBHSA-N 0 0 411.502 4.118 20 30 HIEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cnn1C ZINC000468017433 881854326 /nfs/dbraw/zinc/85/43/26/881854326.db2.gz RVYBQVCKANUFLM-JTSKRJEESA-N 0 0 420.444 4.248 20 30 HIEDRN CCCc1c(NC(=O)[C@H](c2ccccc2)N(C)CC)cnn1-c1cccc(C#N)c1 ZINC000440069122 865336447 /nfs/dbraw/zinc/33/64/47/865336447.db2.gz FRASCUNRWMYUPL-QHCPKHFHSA-N 0 0 401.514 4.328 20 30 HIEDRN CCCc1c(NC(=O)C[C@@H]2OCCc3ccccc32)cnn1-c1cccc(C#N)c1 ZINC000440075941 865340946 /nfs/dbraw/zinc/34/09/46/865340946.db2.gz ISGBAHNUCXPBBA-QHCPKHFHSA-N 0 0 400.482 4.339 20 30 HIEDRN CCCc1c(NC(=O)CCc2nnc(C3CCCC3)o2)cnn1-c1cccc(C#N)c1 ZINC000440092080 865354858 /nfs/dbraw/zinc/35/48/58/865354858.db2.gz ZZUNRZGZQCJEIT-UHFFFAOYSA-N 0 0 418.501 4.308 20 30 HIEDRN C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000440094831 865355471 /nfs/dbraw/zinc/35/54/71/865355471.db2.gz AXGOCSZLNLEXIO-ICSRJNTNSA-N 0 0 405.498 4.102 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1 ZINC000440099757 865358861 /nfs/dbraw/zinc/35/88/61/865358861.db2.gz 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COc1cccc(CN(C[C@H]2CCCO2)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000440255265 865498920 /nfs/dbraw/zinc/49/89/20/865498920.db2.gz NBXFRHYLQGUHEW-PKTZIBPZSA-N 0 0 407.514 4.431 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCOc3c(F)cccc32)cc1C ZINC000468055372 881879372 /nfs/dbraw/zinc/87/93/72/881879372.db2.gz RMZJFQZQLSFGOW-NRFANRHFSA-N 0 0 418.472 4.473 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 ZINC000440299958 865557710 /nfs/dbraw/zinc/55/77/10/865557710.db2.gz AUDQYKKRQVBTNY-HNNXBMFYSA-N 0 0 423.448 4.121 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC000440327963 865602208 /nfs/dbraw/zinc/60/22/08/865602208.db2.gz PQJUEHGEWDBOTM-LJQANCHMSA-N 0 0 415.468 4.019 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccnc4ccccc43)c2)cc1 ZINC000440329330 865605589 /nfs/dbraw/zinc/60/55/89/865605589.db2.gz VMTOONUCZZQVGD-UHFFFAOYSA-N 0 0 408.417 4.476 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1OC(F)F ZINC000440363684 865641745 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401.919 4.028 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2SC)cc1 ZINC000440936656 866035305 /nfs/dbraw/zinc/03/53/05/866035305.db2.gz YWUBGKGFQSSNSJ-HNNXBMFYSA-N 0 0 419.572 4.098 20 30 HIEDRN N#C[C@H]1N(C(=O)CCSc2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000468113335 881936093 /nfs/dbraw/zinc/93/60/93/881936093.db2.gz LPNIWFKJBPFIFA-MJGOQNOKSA-N 0 0 423.376 4.385 20 30 HIEDRN CCOc1ccccc1Oc1ccc(CNC(=O)NCC2CCC(C#N)CC2)cn1 ZINC000441007348 866078917 /nfs/dbraw/zinc/07/89/17/866078917.db2.gz CQBAUFJCPWEOBE-UHFFFAOYSA-N 0 0 408.502 4.402 20 30 HIEDRN N#C[C@@H]1N(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CCC[C@@]12CCCCO2 ZINC000468116854 881944590 /nfs/dbraw/zinc/94/45/90/881944590.db2.gz JJDQEDAFHWXYEA-XSYGEPLQSA-N 0 0 403.320 4.006 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@H](c2ccsc2)C1 ZINC000468117309 881945444 /nfs/dbraw/zinc/94/54/44/881945444.db2.gz PGIWBINLOSGDTJ-QAPCUYQASA-N 0 0 401.557 4.154 20 30 HIEDRN COc1ccc(Br)cc1CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441110171 866208296 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421.884 4.323 20 30 HIEDRN N#CCCN(C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000441266051 866339653 /nfs/dbraw/zinc/33/96/53/866339653.db2.gz NLSKTJDHPAOLDT-UHFFFAOYSA-N 0 0 412.877 4.159 20 30 HIEDRN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441291029 866364824 /nfs/dbraw/zinc/36/48/24/866364824.db2.gz VVZGVLXGGDMZHJ-GOSISDBHSA-N 0 0 417.431 4.304 20 30 HIEDRN CC(C)Oc1c(F)cc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1F ZINC000441348008 866416965 /nfs/dbraw/zinc/41/69/65/866416965.db2.gz BLNVLERVLYNKJF-UHFFFAOYSA-N 0 0 419.453 4.335 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)Nc1cccc(OCCF)c1 ZINC000441348614 866419673 /nfs/dbraw/zinc/41/96/73/866419673.db2.gz RCHHFLATLRDHGJ-UHFFFAOYSA-N 0 0 402.425 4.012 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc(C)c1OCc1cccnc1 ZINC000468131636 881975759 /nfs/dbraw/zinc/97/57/59/881975759.db2.gz SCWMETDLIPUDMK-RDGATRHJSA-N 0 0 419.525 4.345 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000441393771 866466124 /nfs/dbraw/zinc/46/61/24/866466124.db2.gz MYNBFYPCMPQEDS-CVEARBPZSA-N 0 0 400.906 4.494 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cccc(NC(=O)c3cccs3)c2)CCC[C@@]12CCCCO2 ZINC000468133948 881983429 /nfs/dbraw/zinc/98/34/29/881983429.db2.gz TVFIEUPRYAXBRL-KNQAVFIVSA-N 0 0 409.511 4.068 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CCC[C@@]12CCCCO2 ZINC000468134027 881982154 /nfs/dbraw/zinc/98/21/54/881982154.db2.gz UOHQCSNIXFBQNY-UGKGYDQZSA-N 0 0 413.905 4.381 20 30 HIEDRN C=CCC[C@H](NC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000441530209 866605474 /nfs/dbraw/zinc/60/54/74/866605474.db2.gz DNDLIKCUEIWEEQ-VBQJREDUSA-N 0 0 420.497 4.176 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCN(Cc2ccon2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441534280 866609720 /nfs/dbraw/zinc/60/97/20/866609720.db2.gz KFRJDGDWXMXWBX-IBGZPJMESA-N 0 0 422.451 4.228 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441537163 866615011 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ARNXLNXQWVOZNW-GOSISDBHSA-N 0 0 413.543 4.135 20 30 HIEDRN C=CCC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000441595784 866687185 /nfs/dbraw/zinc/68/71/85/866687185.db2.gz ZPEVKHKPTRGVRL-SFHVURJKSA-N 0 0 415.415 4.239 20 30 HIEDRN CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000441603698 866694671 /nfs/dbraw/zinc/69/46/71/866694671.db2.gz ZFXGJDFJVORMNG-GFCCVEGCSA-N 0 0 405.376 4.223 20 30 HIEDRN CC[C@H](CSC)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000441605484 866698584 /nfs/dbraw/zinc/69/85/84/866698584.db2.gz SDVVENFKCIHSLO-QGZVFWFLSA-N 0 0 411.527 4.198 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000441628241 866728746 /nfs/dbraw/zinc/72/87/46/866728746.db2.gz YVAWCMSLOCDPRB-UHFFFAOYSA-N 0 0 406.511 4.063 20 30 HIEDRN CN(C)[C@@H](C(=O)NCCSCc1ccccc1C#N)c1c(F)cccc1Cl ZINC000468147238 882006850 /nfs/dbraw/zinc/00/68/50/882006850.db2.gz DNJQTDHUQKOTBY-LJQANCHMSA-N 0 0 405.926 4.003 20 30 HIEDRN 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C=CCCN(C)C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC000468188582 882065029 /nfs/dbraw/zinc/06/50/29/882065029.db2.gz XGGIADVFUYYDML-QPPBQGQZSA-N 0 0 422.525 4.223 20 30 HIEDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442195391 867217648 /nfs/dbraw/zinc/21/76/48/867217648.db2.gz PCUQAKBMQJXLMI-LLVKDONJSA-N 0 0 406.364 4.298 20 30 HIEDRN COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000442197300 867219384 /nfs/dbraw/zinc/21/93/84/867219384.db2.gz SUBWENDLDKKHLV-ZDUSSCGKSA-N 0 0 405.376 4.487 20 30 HIEDRN C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000442197350 867220022 /nfs/dbraw/zinc/22/00/22/867220022.db2.gz VUSPWALQHNJMCU-HNNXBMFYSA-N 0 0 418.428 4.043 20 30 HIEDRN CCOCCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000442208706 867231032 /nfs/dbraw/zinc/23/10/32/867231032.db2.gz NAPJDUHRHBXFFB-NRFANRHFSA-N 0 0 409.486 4.318 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c(F)c1 ZINC000442222493 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Cc1cc(N2CCOCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000443950782 868486891 /nfs/dbraw/zinc/48/68/91/868486891.db2.gz IKLUWJZLNIBTGF-UHFFFAOYSA-N 0 0 402.498 4.342 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCCCNC(=O)c2ccccc2)cc1 ZINC000468277964 882200346 /nfs/dbraw/zinc/20/03/46/882200346.db2.gz IFFQZLZPCXYEAG-UHFFFAOYSA-N 0 0 415.518 4.259 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCc2nncn2C2CC2)cc1Cl ZINC000444031927 868565551 /nfs/dbraw/zinc/56/55/51/868565551.db2.gz JNHBOSOATNMUML-SFHVURJKSA-N 0 0 406.877 4.244 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444063694 868599989 /nfs/dbraw/zinc/59/99/89/868599989.db2.gz SBTWHHZIWRRSTM-LBPRGKRZSA-N 0 0 400.397 4.488 20 30 HIEDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000444150740 868639766 /nfs/dbraw/zinc/63/97/66/868639766.db2.gz XSOVHXSUMLHZEQ-MOPGFXCFSA-N 0 0 408.546 4.102 20 30 HIEDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000444229334 868678833 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HIEDRN COc1ccc2c(c1OC)CCN(C(=O)c1cn(CCCC#N)c3ccccc13)C2 ZINC000444267160 868706173 /nfs/dbraw/zinc/70/61/73/868706173.db2.gz PNHJZNSQEPTDOS-UHFFFAOYSA-N 0 0 403.482 4.161 20 30 HIEDRN COC(=O)[C@@H](C)[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccccc1 ZINC000444284374 868714295 /nfs/dbraw/zinc/71/42/95/868714295.db2.gz TTZJTYJHEMDVLY-HTAPYJJXSA-N 0 0 403.482 4.225 20 30 HIEDRN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000444322444 868752835 /nfs/dbraw/zinc/75/28/35/868752835.db2.gz JFBMZJXHFKALOM-HXUWFJFHSA-N 0 0 420.900 4.378 20 30 HIEDRN CCO[C@@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1Oc1ccccc1 ZINC000444357705 868784305 /nfs/dbraw/zinc/78/43/05/868784305.db2.gz PIUBDRKSHHROIK-QPTUXGOLSA-N 0 0 417.509 4.300 20 30 HIEDRN COC(=O)[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1cc(C)cc(C)c1 ZINC000444366766 868792811 /nfs/dbraw/zinc/79/28/11/868792811.db2.gz YKCJOKZGJKRSDV-QFIPXVFZSA-N 0 0 403.482 4.206 20 30 HIEDRN C=CCN(C(=O)c1cnc(-c2ccco2)s1)[C@@H](Cc1ccccc1)C(=O)OCC 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KKGDTWJTKWNSAD-UHFFFAOYSA-N 0 0 417.332 4.494 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000444474064 868844206 /nfs/dbraw/zinc/84/42/06/868844206.db2.gz JZNZVABUQGQUNI-GOSISDBHSA-N 0 0 420.509 4.430 20 30 HIEDRN Cc1n[nH]cc1-c1nnc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s1 ZINC000444476283 868845260 /nfs/dbraw/zinc/84/52/60/868845260.db2.gz LEUPXRGUCSFNBX-UHFFFAOYSA-N 0 0 401.455 4.104 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)c1ccc(C#N)cc1 ZINC000444504076 868861680 /nfs/dbraw/zinc/86/16/80/868861680.db2.gz BHEMPQWLHWQSJX-CQSZACIVSA-N 0 0 420.856 4.215 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000468310353 882236060 /nfs/dbraw/zinc/23/60/60/882236060.db2.gz OSUAJLDXINHGRX-UHFFFAOYSA-N 0 0 413.481 4.393 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)NC[C@H](CCO)c3ccccc3)c2)c1 ZINC000444571729 868886984 /nfs/dbraw/zinc/88/69/84/868886984.db2.gz CSNRMOLQJICZOC-QHCPKHFHSA-N 0 0 400.478 4.033 20 30 HIEDRN N#CC(CCN1CCn2c(nnc2-c2cccnc2)C1)(c1ccccc1)c1ccccc1 ZINC000444650673 868931614 /nfs/dbraw/zinc/93/16/14/868931614.db2.gz DJOAJVTWFSYUSZ-UHFFFAOYSA-N 0 0 420.520 4.056 20 30 HIEDRN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F ZINC000444664384 868942075 /nfs/dbraw/zinc/94/20/75/868942075.db2.gz NPZUJDNOLMALEL-LLVKDONJSA-N 0 0 403.820 4.246 20 30 HIEDRN C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1nnnn1-c1ccccc1 ZINC000444668993 868945713 /nfs/dbraw/zinc/94/57/13/868945713.db2.gz FVXHNEAJVPPCGU-FQEVSTJZSA-N 0 0 408.509 4.213 20 30 HIEDRN CC(C)c1nc([C@@H]2COCCN2CCC(C#N)(c2ccccc2)c2ccccc2)no1 ZINC000444685573 868958611 /nfs/dbraw/zinc/95/86/11/868958611.db2.gz SRVZIIXLAPYKCX-QFIPXVFZSA-N 0 0 416.525 4.466 20 30 HIEDRN Cc1ccc(-c2nnc([C@H](C)N3CCN(c4ccc(C#N)cc4Cl)CC3)o2)cc1 ZINC000444788280 869005739 /nfs/dbraw/zinc/00/57/39/869005739.db2.gz ZXQUXHKKWJIHTH-INIZCTEOSA-N 0 0 407.905 4.453 20 30 HIEDRN CCO[C@@H]1C[C@](CO)(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1(C)C ZINC000444824470 869033406 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CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000460454685 873132172 /nfs/dbraw/zinc/13/21/72/873132172.db2.gz MAEONNJCNKHEAL-NRFANRHFSA-N 0 0 412.555 4.166 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC[C@]4(C3)CCCOC4)n2CCc2ccccc2)c1 ZINC000460455108 873132474 /nfs/dbraw/zinc/13/24/74/873132474.db2.gz YERDCHWRSWUWNN-VWLOTQADSA-N 0 0 413.525 4.066 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000460463798 873147256 /nfs/dbraw/zinc/14/72/56/873147256.db2.gz XFWWHVCDKWWSIH-UHFFFAOYSA-N 0 0 421.541 4.437 20 30 HIEDRN C[C@H]1Sc2ccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc2NC1=O ZINC000460464260 873147531 /nfs/dbraw/zinc/14/75/31/873147531.db2.gz DFUGFMZJDLDSFQ-KWJFTMPMSA-N 0 0 409.555 4.444 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)o1 ZINC000460510363 873196840 /nfs/dbraw/zinc/19/68/40/873196840.db2.gz KBIRLPOWSKHYOI-FQEVSTJZSA-N 0 0 416.477 4.409 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)o1 ZINC000460510366 873197046 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20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000460813473 873694886 /nfs/dbraw/zinc/69/48/86/873694886.db2.gz CXIYOZYLUCRUFO-NHCUHLMSSA-N 0 0 414.336 4.313 20 30 HIEDRN Cc1cccc(F)c1NC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460815436 873696414 /nfs/dbraw/zinc/69/64/14/873696414.db2.gz MIWPWHPTLPXSBH-MRXNPFEDSA-N 0 0 401.441 4.489 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000460816195 873696431 /nfs/dbraw/zinc/69/64/31/873696431.db2.gz RHCQSOLYOPGJQS-RTWAWAEBSA-N 0 0 423.561 4.027 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000460828607 873714908 /nfs/dbraw/zinc/71/49/08/873714908.db2.gz GDUYPCSYTPVKMU-UHFFFAOYSA-N 0 0 402.491 4.058 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000460843811 873735505 /nfs/dbraw/zinc/73/55/05/873735505.db2.gz AOJXGFXVKTTWHZ-RXVVDRJESA-N 0 0 423.467 4.063 20 30 HIEDRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)C ZINC000460846413 873741623 /nfs/dbraw/zinc/74/16/23/873741623.db2.gz BQCOCRGAWXKKDE-UHFFFAOYSA-N 0 0 416.529 4.165 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccn1)c1ccccc1 ZINC000460856906 873756700 /nfs/dbraw/zinc/75/67/00/873756700.db2.gz QLECDGSRONKPHY-XMMPIXPASA-N 0 0 414.509 4.095 20 30 HIEDRN N#C[C@@H]1N(C(=O)COc2ccc3oc4ccccc4c3c2)CCC[C@]12CCCCO2 ZINC000468628683 882755705 /nfs/dbraw/zinc/75/57/05/882755705.db2.gz BJTYLRWQHVDTFC-LADGPHEKSA-N 0 0 404.466 4.419 20 30 HIEDRN CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(F)cc1F ZINC000468627638 882757667 /nfs/dbraw/zinc/75/76/67/882757667.db2.gz GIZCALVLDFCOSH-GOSISDBHSA-N 0 0 415.440 4.220 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCO2)c1 ZINC000460923489 873828095 /nfs/dbraw/zinc/82/80/95/873828095.db2.gz DFSQLNXLRYOBGZ-RTBURBONSA-N 0 0 411.550 4.206 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000460928829 873832751 /nfs/dbraw/zinc/83/27/51/873832751.db2.gz BLEZBOROPMULMN-VCWRXUFXSA-N 0 0 408.546 4.457 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCn2cnnc2C1 ZINC000460929132 873833115 /nfs/dbraw/zinc/83/31/15/873833115.db2.gz CSYIFDHYCBJMFZ-UHFFFAOYSA-N 0 0 421.505 4.001 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CCCO)CC1 ZINC000460933200 873834553 /nfs/dbraw/zinc/83/45/53/873834553.db2.gz JZHIDGATZRRFQU-UHFFFAOYSA-N 0 0 407.518 4.165 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2cc(OC)c(F)cc2C1 ZINC000460934939 873835464 /nfs/dbraw/zinc/83/54/64/873835464.db2.gz IXESNKFIGMZCEX-UHFFFAOYSA-N 0 0 403.461 4.103 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCc2c(cccc2OC)C1 ZINC000460933908 873835497 /nfs/dbraw/zinc/83/54/97/873835497.db2.gz LBNQJSSTASZIGL-UHFFFAOYSA-N 0 0 405.458 4.001 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000460938017 873839296 /nfs/dbraw/zinc/83/92/96/873839296.db2.gz PLXKCTXXCLSDSL-CBPXPLCBSA-N 0 0 408.546 4.105 20 30 HIEDRN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC2(CCOCC2)CC1 ZINC000460941196 873841107 /nfs/dbraw/zinc/84/11/07/873841107.db2.gz ROIUYSXTPFCDOP-UHFFFAOYSA-N 0 0 405.546 4.323 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468633046 882764490 /nfs/dbraw/zinc/76/44/90/882764490.db2.gz ROQIFKFGLAYZBQ-ILBGXUMGSA-N 0 0 415.493 4.205 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000460943193 873842881 /nfs/dbraw/zinc/84/28/81/873842881.db2.gz JFSZYNDOGCCCGF-OALUTQOASA-N 0 0 419.529 4.068 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000460946039 873844687 /nfs/dbraw/zinc/84/46/87/873844687.db2.gz CRAFHOMGQHACAG-MRXNPFEDSA-N 0 0 424.332 4.087 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCc2cc(OC)c(F)cc2C1 ZINC000460947709 873845524 /nfs/dbraw/zinc/84/55/24/873845524.db2.gz SRLZVEWPRMTIFK-UHFFFAOYSA-N 0 0 408.477 4.240 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000460947211 873845747 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418.541 4.333 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000460959502 873856053 /nfs/dbraw/zinc/85/60/53/873856053.db2.gz PPEDYRGUDQNVAF-UHFFFAOYSA-N 0 0 403.317 4.124 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(CCC)C[C@H]1CCCCO1 ZINC000460958854 873856369 /nfs/dbraw/zinc/85/63/69/873856369.db2.gz NPCBWMRDHVRYDY-GOSISDBHSA-N 0 0 414.550 4.324 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC000460958806 873856443 /nfs/dbraw/zinc/85/64/43/873856443.db2.gz ITNSSYZMVIYPLB-UHFFFAOYSA-N 0 0 411.412 4.270 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(CC)CCc1nccs1 ZINC000460960638 873857102 /nfs/dbraw/zinc/85/71/02/873857102.db2.gz QRBHACGJWOIYMV-UHFFFAOYSA-N 0 0 413.547 4.064 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(CCOC)[C@H]1CCOC1 ZINC000460962790 873859356 /nfs/dbraw/zinc/85/93/56/873859356.db2.gz MOXOEOBAHYHJPI-HNNXBMFYSA-N 0 0 411.333 4.070 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000460962304 873859559 /nfs/dbraw/zinc/85/95/59/873859559.db2.gz YCIYEFHGYKSSAY-IIBYNOLFSA-N 0 0 422.932 4.307 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000460962672 873859627 /nfs/dbraw/zinc/85/96/27/873859627.db2.gz LJZSXTWOZNSQJD-VQIMIIECSA-N 0 0 423.492 4.104 20 30 HIEDRN CN(C(=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1)c1ccccc1 ZINC000468635916 882767084 /nfs/dbraw/zinc/76/70/84/882767084.db2.gz VCIPZBUCLJBTSI-RDGATRHJSA-N 0 0 417.509 4.031 20 30 HIEDRN C[C@H]1CCCN(c2nnc(SCc3ccc(F)c(C#N)c3)n2Cc2ccco2)C1 ZINC000468634262 882767512 /nfs/dbraw/zinc/76/75/12/882767512.db2.gz BTTWWGSPGCFFNL-HNNXBMFYSA-N 0 0 411.506 4.459 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000460972458 873867481 /nfs/dbraw/zinc/86/74/81/873867481.db2.gz YJTLOIBYDCMWAW-UHFFFAOYSA-N 0 0 410.227 4.466 20 30 HIEDRN C=CCC[C@H](NC(=O)NCc1c(C)nn(C)c1OC)c1ccc(C(F)(F)F)cc1 ZINC000460981172 873872156 /nfs/dbraw/zinc/87/21/56/873872156.db2.gz GQHBQDLHAZHLCI-KRWDZBQOSA-N 0 0 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CC(C)CCN(CCC#N)c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000461149656 874095687 /nfs/dbraw/zinc/09/56/87/874095687.db2.gz IZSLEWAMXJMJME-LJQANCHMSA-N 0 0 415.969 4.467 20 30 HIEDRN CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468659100 882793852 /nfs/dbraw/zinc/79/38/52/882793852.db2.gz NCXZGANLMCBRPM-ISKFKSNPSA-N 0 0 412.530 4.282 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(Cc3ccc(F)cc3)C3CC3)n2C[C@@H]2CCCO2)c1 ZINC000461152689 874103988 /nfs/dbraw/zinc/10/39/88/874103988.db2.gz GCSOZZKIJUQOQO-QFIPXVFZSA-N 0 0 417.488 4.304 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c2)cc1 ZINC000468657898 882794154 /nfs/dbraw/zinc/79/41/54/882794154.db2.gz DUNRQZDMOISECE-ZCYQVOJMSA-N 0 0 415.493 4.205 20 30 HIEDRN Cc1nc(C)c([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)s1 ZINC000461155843 874109689 /nfs/dbraw/zinc/10/96/89/874109689.db2.gz MUWSBRBTIUBWJR-BEFAXECRSA-N 0 0 422.558 4.267 20 30 HIEDRN COc1ccc([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000461157550 874114180 /nfs/dbraw/zinc/11/41/80/874114180.db2.gz JAGANVSIFRVYOK-VGSWGCGISA-N 0 0 417.513 4.202 20 30 HIEDRN CCS[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1 ZINC000461161149 874119538 /nfs/dbraw/zinc/11/95/38/874119538.db2.gz RQFNCRLOUQVECQ-WOJBJXKFSA-N 0 0 411.575 4.108 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)n2C[C@H]2CCCO2)cc1 ZINC000461162875 874123135 /nfs/dbraw/zinc/12/31/35/874123135.db2.gz USYCMPTWBYANJP-TYHXKGQSSA-N 0 0 403.530 4.011 20 30 HIEDRN N#C[C@H]1N(C(=O)CCCc2ccc(Br)s2)CCC[C@]12CCCCO2 ZINC000468661840 882797822 /nfs/dbraw/zinc/79/78/22/882797822.db2.gz MIPTXADMLDLRMV-CRAIPNDOSA-N 0 0 411.365 4.287 20 30 HIEDRN CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1 ZINC000468662327 882798250 /nfs/dbraw/zinc/79/82/50/882798250.db2.gz NULQHBLUSGCDJU-HYBUGGRVSA-N 0 0 411.546 4.058 20 30 HIEDRN C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461177121 874154958 /nfs/dbraw/zinc/15/49/58/874154958.db2.gz ARQFRVZGUABUHF-YSZBQJHXSA-N 0 0 413.525 4.378 20 30 HIEDRN N#Cc1ccc(CNc2nnc(-c3cccc(OC(F)F)c3)o2)c(C(F)(F)F)c1 ZINC000461186682 874178714 /nfs/dbraw/zinc/17/87/14/874178714.db2.gz OXWAMZVRAMYQGU-UHFFFAOYSA-N 0 0 410.302 4.841 20 30 HIEDRN CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000461252547 874256567 /nfs/dbraw/zinc/25/65/67/874256567.db2.gz DVELYTZHLXUQSE-QFIPXVFZSA-N 0 0 417.513 4.031 20 30 HIEDRN Cc1nc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)cs1 ZINC000461259612 874264936 /nfs/dbraw/zinc/26/49/36/874264936.db2.gz ZIAKARUAVQNVIZ-ICSRJNTNSA-N 0 0 420.542 4.102 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cccnc2SCC2CCCCC2)cn1 ZINC000461283588 874289966 /nfs/dbraw/zinc/28/99/66/874289966.db2.gz JQGRBBRLDFHGSH-UHFFFAOYSA-N 0 0 418.526 4.459 20 30 HIEDRN COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000461295366 874301182 /nfs/dbraw/zinc/30/11/82/874301182.db2.gz QNRGGPXDADKFNZ-UGKGYDQZSA-N 0 0 402.494 4.023 20 30 HIEDRN C[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C(=O)N1c1ccccc1 ZINC000461299969 874304678 /nfs/dbraw/zinc/30/46/78/874304678.db2.gz IIWYJXHOYMXDPP-UZUQRXQVSA-N 0 0 410.477 4.226 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2nc3ccccc3n2C)cc1C ZINC000461303168 874308500 /nfs/dbraw/zinc/30/85/00/874308500.db2.gz RFUMUZCLQCFSPC-UHFFFAOYSA-N 0 0 412.497 4.244 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cccs1 ZINC000461310919 874318562 /nfs/dbraw/zinc/31/85/62/874318562.db2.gz YLQMJJFTDXONDI-OAHLLOKOSA-N 0 0 404.499 4.448 20 30 HIEDRN CCc1ccccc1O[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000461313844 874320936 /nfs/dbraw/zinc/32/09/36/874320936.db2.gz FZGKNMDZAHLYRF-QHCPKHFHSA-N 0 0 423.476 4.460 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(-c3ccc(C)s3)n2Cc2cccs2)CC1 ZINC000461317636 874326374 /nfs/dbraw/zinc/32/63/74/874326374.db2.gz PHBUGRAYHAVERO-UHFFFAOYSA-N 0 0 413.572 4.181 20 30 HIEDRN C[C@H](N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1)C1(C)CC1 ZINC000461319688 874327617 /nfs/dbraw/zinc/32/76/17/874327617.db2.gz BKKOORNINQWEKZ-INIZCTEOSA-N 0 0 407.543 4.463 20 30 HIEDRN CC(C)(C)C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461373263 874377857 /nfs/dbraw/zinc/37/78/57/874377857.db2.gz OWFMCRMLGPZPNA-VQTJNVASSA-N 0 0 423.561 4.170 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2C[C@H]2CCOC2)cc1 ZINC000461384855 874391696 /nfs/dbraw/zinc/39/16/96/874391696.db2.gz HVOFZZFWJJQECW-IEBWSBKVSA-N 0 0 405.527 4.256 20 30 HIEDRN Cc1cnn([C@H]2CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)c1 ZINC000461385724 874391933 /nfs/dbraw/zinc/39/19/33/874391933.db2.gz ILFLXSCZRMMLLV-FQEVSTJZSA-N 0 0 402.523 4.443 20 30 HIEDRN CC(C)OCc1nc([C@H](C)NC(=O)c2ccccc2Oc2ccccc2C#N)no1 ZINC000461391530 874399149 /nfs/dbraw/zinc/39/91/49/874399149.db2.gz WYPMDFYUOWPHGP-HNNXBMFYSA-N 0 0 406.442 4.150 20 30 HIEDRN C=CCOc1ccc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)cc1OC ZINC000461397267 874408138 /nfs/dbraw/zinc/40/81/38/874408138.db2.gz UCPSPFNDJJVUOI-QGZVFWFLSA-N 0 0 414.933 4.432 20 30 HIEDRN CC(C)(C)c1nn(Cc2ccccc2)cc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000461409559 874422926 /nfs/dbraw/zinc/42/29/26/874422926.db2.gz DERFRXLXXZHHLK-UHFFFAOYSA-N 0 0 411.513 4.293 20 30 HIEDRN COc1cc(CNc2cnn(-c3ncccc3C#N)c2)ccc1OCc1cccs1 ZINC000461410284 874426612 /nfs/dbraw/zinc/42/66/12/874426612.db2.gz HRJGAMJSPXJPKS-UHFFFAOYSA-N 0 0 417.494 4.400 20 30 HIEDRN Cc1cc(CNc2cnn(-c3ncccc3C#N)c2)cc(C)c1OCc1ccccn1 ZINC000461417388 874436065 /nfs/dbraw/zinc/43/60/65/874436065.db2.gz KKLDEKFUQLZIHA-UHFFFAOYSA-N 0 0 410.481 4.342 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2nc([C@H](C)OC)no2)cc1 ZINC000468725361 882830153 /nfs/dbraw/zinc/83/01/53/882830153.db2.gz PPPLYVGYGYAHFB-AWEZNQCLSA-N 0 0 422.441 4.021 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000461430307 874471016 /nfs/dbraw/zinc/47/10/16/874471016.db2.gz XNAPREXSTRXMJC-DOMZBBRYSA-N 0 0 405.321 4.310 20 30 HIEDRN CC(C)(C(=O)N1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1)c1ccccc1 ZINC000461449442 874509581 /nfs/dbraw/zinc/50/95/81/874509581.db2.gz YKNVVGGTUXIITP-UHFFFAOYSA-N 0 0 418.928 4.386 20 30 HIEDRN Cc1cc(C)c2ncc(C#N)c(N3CCN(c4cc(C)nc(C(C)C)n4)CC3)c2c1 ZINC000461451124 874511342 /nfs/dbraw/zinc/51/13/42/874511342.db2.gz CHZHYUSKSFIIPX-UHFFFAOYSA-N 0 0 400.530 4.272 20 30 HIEDRN COc1ccc(CN2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1F ZINC000461452208 874513007 /nfs/dbraw/zinc/51/30/07/874513007.db2.gz UTZLWHXFYUXNFO-UHFFFAOYSA-N 0 0 410.880 4.230 20 30 HIEDRN N#CCN1CCC[C@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000461474544 874531002 /nfs/dbraw/zinc/53/10/02/874531002.db2.gz PACPJQKNCCYKOW-MRXNPFEDSA-N 0 0 401.432 4.338 20 30 HIEDRN C=CCN(CC1CCCCC1)c1nnc([C@@H]2COCCO2)n1Cc1cccs1 ZINC000461475674 874532172 /nfs/dbraw/zinc/53/21/72/874532172.db2.gz AUFXKBKNHWJDEY-IBGZPJMESA-N 0 0 402.564 4.049 20 30 HIEDRN C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CCC12CCOCC2 ZINC000461484352 874545277 /nfs/dbraw/zinc/54/52/77/874545277.db2.gz FMBBFRLJTQOGDX-QGZVFWFLSA-N 0 0 419.554 4.322 20 30 HIEDRN CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000461489414 874554435 /nfs/dbraw/zinc/55/44/35/874554435.db2.gz NLXOXZQEYRQVJD-QFIPXVFZSA-N 0 0 407.543 4.322 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3[C@H]3CCCO3)n2Cc2cccs2)c1 ZINC000461493598 874562132 /nfs/dbraw/zinc/56/21/32/874562132.db2.gz HTNDHKXUTDZJCL-VQTJNVASSA-N 0 0 405.527 4.074 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ccc(Br)c(F)c1)c1ccccc1 ZINC000461503151 874578067 /nfs/dbraw/zinc/57/80/67/874578067.db2.gz OZORUYWTOZQEIA-UHFFFAOYSA-N 0 0 418.266 4.254 20 30 HIEDRN COc1cccc([C@@H](C)CCCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000468753631 882843431 /nfs/dbraw/zinc/84/34/31/882843431.db2.gz ABVCTRDQZZPPLW-NZQKXSOJSA-N 0 0 405.542 4.206 20 30 HIEDRN Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461517002 874597248 /nfs/dbraw/zinc/59/72/48/874597248.db2.gz ACWHIXNOJGDTAX-ICSRJNTNSA-N 0 0 401.514 4.359 20 30 HIEDRN CCN(C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(C#N)cc1 ZINC000461536860 874624205 /nfs/dbraw/zinc/62/42/05/874624205.db2.gz YENBOPLTPFRCHF-RTBURBONSA-N 0 0 419.525 4.393 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC1 ZINC000461562520 874656272 /nfs/dbraw/zinc/65/62/72/874656272.db2.gz UIJCUUJIVJVIAG-HXUWFJFHSA-N 0 0 424.570 4.168 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCOC1 ZINC000461571682 874671931 /nfs/dbraw/zinc/67/19/31/874671931.db2.gz FCUCIWZPUFFMKQ-GOSISDBHSA-N 0 0 424.570 4.168 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2cc(Cl)ccc2Cl)n1C[C@@H]1CCOC1 ZINC000461580402 874686029 /nfs/dbraw/zinc/68/60/29/874686029.db2.gz RYDXOWVNPSXXNJ-HNNXBMFYSA-N 0 0 420.344 4.418 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(Cc2ccccc2C)n1C[C@H]1CCOC1 ZINC000461591349 874710402 /nfs/dbraw/zinc/71/04/02/874710402.db2.gz YZLLVKIDAUTEOO-LJQANCHMSA-N 0 0 408.571 4.468 20 30 HIEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)Cc2ccccc21 ZINC000461593046 874713609 /nfs/dbraw/zinc/71/36/09/874713609.db2.gz FOIFUFDWFULRKX-LJQANCHMSA-N 0 0 413.525 4.151 20 30 HIEDRN Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)s1 ZINC000461603908 874738720 /nfs/dbraw/zinc/73/87/20/874738720.db2.gz PEAVVULESQKXET-MAUKXSAKSA-N 0 0 422.558 4.124 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461605760 874742338 /nfs/dbraw/zinc/74/23/38/874742338.db2.gz ZJQDNPUJUMQHGJ-JOCHJYFZSA-N 0 0 413.525 4.436 20 30 HIEDRN CC(C)Oc1ccc(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)cc1 ZINC000461606444 874743675 /nfs/dbraw/zinc/74/36/75/874743675.db2.gz UARZZYKCXPYSPU-IBGZPJMESA-N 0 0 417.513 4.408 20 30 HIEDRN Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)s1 ZINC000461613533 874758279 /nfs/dbraw/zinc/75/82/79/874758279.db2.gz HYVZUNWWMIYZHO-MAUKXSAKSA-N 0 0 422.558 4.124 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4ccc(Cl)cc4C3)n2C[C@H]2CCOC2)cc1 ZINC000461637474 874796094 /nfs/dbraw/zinc/79/60/94/874796094.db2.gz ZBFKEYDBMRCWOY-QGZVFWFLSA-N 0 0 419.916 4.069 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000461638127 874796461 /nfs/dbraw/zinc/79/64/61/874796461.db2.gz XPMIJZDUZLZUIS-FQEVSTJZSA-N 0 0 406.873 4.074 20 30 HIEDRN N#Cc1ccc(C2=CCN(c3nnc(C4CCC4)n3C[C@@H]3CCCCO3)CC2)cc1 ZINC000461647301 874803773 /nfs/dbraw/zinc/80/37/73/874803773.db2.gz ANAZLSPNIVEDBQ-QFIPXVFZSA-N 0 0 403.530 4.280 20 30 HIEDRN C=CCN(Cc1cccs1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCO1 ZINC000461646689 874803796 /nfs/dbraw/zinc/80/37/96/874803796.db2.gz BDLHUCAWKFLMLV-SFHVURJKSA-N 0 0 409.559 4.472 20 30 HIEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1)C1CCCC1 ZINC000461661450 874815080 /nfs/dbraw/zinc/81/50/80/874815080.db2.gz YWPRMUHYXIUTAO-FQEVSTJZSA-N 0 0 423.561 4.170 20 30 HIEDRN CC(C)N(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461667480 874819490 /nfs/dbraw/zinc/81/94/90/874819490.db2.gz NPLFEJCOKCNUKK-FQEVSTJZSA-N 0 0 405.502 4.394 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461673569 874823446 /nfs/dbraw/zinc/82/34/46/874823446.db2.gz VPJWHPSGYZQTQF-QFIPXVFZSA-N 0 0 413.525 4.088 20 30 HIEDRN CCSCC[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461674286 874824388 /nfs/dbraw/zinc/82/43/88/874824388.db2.gz WTKCTXAHHJDEJY-PXNSSMCTSA-N 0 0 413.591 4.354 20 30 HIEDRN CCSCC[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461674288 874824565 /nfs/dbraw/zinc/82/45/65/874824565.db2.gz WTKCTXAHHJDEJY-YLJYHZDGSA-N 0 0 413.591 4.354 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(Cc3ccco3)C3CCCC3)n2C[C@@H]2CCOC2)cc1 ZINC000461686209 874836081 /nfs/dbraw/zinc/83/60/81/874836081.db2.gz GERDWJDYHGXFTJ-IBGZPJMESA-N 0 0 417.513 4.395 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCOC1 ZINC000461693186 874843287 /nfs/dbraw/zinc/84/32/87/874843287.db2.gz DVHBOZIOWBIHIV-NRFANRHFSA-N 0 0 408.571 4.202 20 30 HIEDRN N#CCN1CCC(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC000461702190 874852513 /nfs/dbraw/zinc/85/25/13/874852513.db2.gz CMNIXLUWGNVTJF-UHFFFAOYSA-N 0 0 406.511 4.035 20 30 HIEDRN C=CCN(CC=C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H]1CCOC1 ZINC000461702548 874852813 /nfs/dbraw/zinc/85/28/13/874852813.db2.gz RBFAMYFMWAQGFZ-CQSZACIVSA-N 0 0 421.314 4.062 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccoc2)n1C[C@@H]1CCOC1 ZINC000461703062 874853391 /nfs/dbraw/zinc/85/33/91/874853391.db2.gz OVFONXYRCHNGFA-AWEZNQCLSA-N 0 0 404.923 4.482 20 30 HIEDRN Cc1ccsc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCOC1 ZINC000461707650 874857179 /nfs/dbraw/zinc/85/71/79/874857179.db2.gz MXVHFCMOXWQZRE-IBGZPJMESA-N 0 0 419.554 4.392 20 30 HIEDRN Cc1nc(Sc2nnc(CN3CCCC3)n2-c2ccccc2)c(Cl)cc1C#N ZINC000461716724 874865636 /nfs/dbraw/zinc/86/56/36/874865636.db2.gz GFAAGCBVVAYXHH-UHFFFAOYSA-N 0 0 410.934 4.243 20 30 HIEDRN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)c(C#N)c3)ccc2C)c1 ZINC000468811151 882871213 /nfs/dbraw/zinc/87/12/13/882871213.db2.gz DHBGUOIVWSQKKA-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461738414 874883078 /nfs/dbraw/zinc/88/30/78/874883078.db2.gz SQDDVLYQDKGDAL-UHFFFAOYSA-N 0 0 411.433 4.172 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCO1 ZINC000461741753 874886300 /nfs/dbraw/zinc/88/63/00/874886300.db2.gz YINVGZAAYFYHKB-QFIPXVFZSA-N 0 0 403.530 4.026 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Cc3csc(-c4ccc(Cl)cc4)n3)C2)cc1 ZINC000461742193 874886315 /nfs/dbraw/zinc/88/63/15/874886315.db2.gz WATVFFQLRFLDNE-UHFFFAOYSA-N 0 0 409.898 4.167 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC000461757608 874894240 /nfs/dbraw/zinc/89/42/40/874894240.db2.gz RVMYDOHYQUZFQW-UHFFFAOYSA-N 0 0 415.497 4.248 20 30 HIEDRN COCCOCc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000461782652 874904686 /nfs/dbraw/zinc/90/46/86/874904686.db2.gz DYCCMWLKUXAWTM-UHFFFAOYSA-N 0 0 407.495 4.021 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000461784754 874904974 /nfs/dbraw/zinc/90/49/74/874904974.db2.gz MHNNSWWFZLRHQC-FZKQIMNGSA-N 0 0 417.387 4.245 20 30 HIEDRN C=CCN(c1nnc([C@H]2CCO[C@@H]2c2ccccc2)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461809052 874923998 /nfs/dbraw/zinc/92/39/98/874923998.db2.gz DQBIVOVUHBGDAB-FDFHNCONSA-N 0 0 408.546 4.247 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)CCc2nc3cc(Br)ccc3s2)n1 ZINC000468824520 882877278 /nfs/dbraw/zinc/87/72/78/882877278.db2.gz DNTFXVCIFUDSKG-UHFFFAOYSA-N 0 0 418.320 4.279 20 30 HIEDRN C[C@@H]1Cc2ccccc2CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461813126 874930934 /nfs/dbraw/zinc/93/09/34/874930934.db2.gz VYRNFFMKBNRWFY-WZONZLPQSA-N 0 0 413.525 4.337 20 30 HIEDRN Cc1ccc(OCc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCO2)cc1C ZINC000461820036 874942883 /nfs/dbraw/zinc/94/28/83/874942883.db2.gz UERKIJJHPLTAJB-QFIPXVFZSA-N 0 0 423.561 4.173 20 30 HIEDRN CCSCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461824231 874949795 /nfs/dbraw/zinc/94/97/95/874949795.db2.gz ARFXPUBZMIMQRD-XLIONFOSSA-N 0 0 413.591 4.354 20 30 HIEDRN C=CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H]1CCCCO1 ZINC000461828790 874957822 /nfs/dbraw/zinc/95/78/22/874957822.db2.gz FTVGXPNQGCWFQM-IBGZPJMESA-N 0 0 421.545 4.010 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1C[C@H]1CCCCO1 ZINC000461840822 874978583 /nfs/dbraw/zinc/97/85/83/874978583.db2.gz VKRDXWLGPXOCLZ-LSDHHAIUSA-N 0 0 418.339 4.015 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2cccnc2)n1C[C@H]1CCCCO1 ZINC000461846794 874986774 /nfs/dbraw/zinc/98/67/74/874986774.db2.gz WZTHSIJJBPQDRM-HXUWFJFHSA-N 0 0 407.493 4.241 20 30 HIEDRN C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461854408 874999292 /nfs/dbraw/zinc/99/92/92/874999292.db2.gz MSPHACVGCFRJMT-XLIONFOSSA-N 0 0 421.501 4.088 20 30 HIEDRN C=CCN(CCOC)c1nnc(Cc2cccc3ccccc32)n1C[C@H]1CCCCO1 ZINC000461860525 875009435 /nfs/dbraw/zinc/00/94/35/875009435.db2.gz YRNOBYDZLUHZAR-JOCHJYFZSA-N 0 0 420.557 4.230 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(Cc2cccc3ccccc32)n1C[C@@H]1CCCCO1 ZINC000461862206 875011140 /nfs/dbraw/zinc/01/11/40/875011140.db2.gz DOUHRSZUNABXEO-NQIIRXRSSA-N 0 0 403.530 4.330 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)n2C[C@@H]2CCCCO2)cc1 ZINC000461872046 875023905 /nfs/dbraw/zinc/02/39/05/875023905.db2.gz RAJPLJVACQMAHY-VWYRAMKCSA-N 0 0 417.557 4.401 20 30 HIEDRN Cc1nc(-c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2)n[nH]1 ZINC000461879643 875033206 /nfs/dbraw/zinc/03/32/06/875033206.db2.gz CKYISOHDWHQYGJ-UHFFFAOYSA-N 0 0 409.449 4.483 20 30 HIEDRN N#Cc1c(C#N)c(N2CCC[C@@](CO)(Cc3ccccc3)C2)nc2c1CCCCCC2 ZINC000461881503 875033962 /nfs/dbraw/zinc/03/39/62/875033962.db2.gz IVEMMAJNVFREGY-AREMUKBSSA-N 0 0 414.553 4.306 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)C2)cc1 ZINC000461907456 875051064 /nfs/dbraw/zinc/05/10/64/875051064.db2.gz HXNSWJVVEFOBLM-UHFFFAOYSA-N 0 0 420.856 4.066 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@H]2CCC[C@@H]2C#N)c1C ZINC000461906898 875051139 /nfs/dbraw/zinc/05/11/39/875051139.db2.gz DMHWXAJVOYJRJC-CJNGLKHVSA-N 0 0 402.296 4.065 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)C2)cc1 ZINC000461912376 875053814 /nfs/dbraw/zinc/05/38/14/875053814.db2.gz ITCBUPUQWJSWIS-UHFFFAOYSA-N 0 0 411.421 4.057 20 30 HIEDRN C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(C#N)c1 ZINC000461912630 875054833 /nfs/dbraw/zinc/05/48/33/875054833.db2.gz CZVVWUJQPVCRIR-INIZCTEOSA-N 0 0 405.479 4.101 20 30 HIEDRN C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1cccc(C#N)c1 ZINC000461931204 875068914 /nfs/dbraw/zinc/06/89/14/875068914.db2.gz MCCGTCUUAKDDKX-LJQANCHMSA-N 0 0 421.504 4.285 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000461944240 875076631 /nfs/dbraw/zinc/07/66/31/875076631.db2.gz IELUQWIAVMLAKR-UBHSHLNASA-N 0 0 404.230 4.434 20 30 HIEDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1nc(C)c(C#N)cc1Cl ZINC000461944937 875078028 /nfs/dbraw/zinc/07/80/28/875078028.db2.gz WITLUJXYVWUZQH-NRFANRHFSA-N 0 0 421.932 4.355 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000461953536 875084217 /nfs/dbraw/zinc/08/42/17/875084217.db2.gz DLJKVWMIDBPVGK-UGKGYDQZSA-N 0 0 424.495 4.074 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000461954039 875084381 /nfs/dbraw/zinc/08/43/81/875084381.db2.gz FLWSRWRNDMAQQX-DYVFJYSZSA-N 0 0 405.285 4.017 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000461955650 875084959 /nfs/dbraw/zinc/08/49/59/875084959.db2.gz FVJNSFGWWDDOLQ-REWPJTCUSA-N 0 0 407.514 4.416 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@H](CCO)C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000461964839 875090896 /nfs/dbraw/zinc/09/08/96/875090896.db2.gz LKBIUYUMEHSZSI-RTBURBONSA-N 0 0 414.468 4.190 20 30 HIEDRN Cc1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)ccc1Oc1cccnc1 ZINC000461978019 875099050 /nfs/dbraw/zinc/09/90/50/875099050.db2.gz QJBHPHMGWZVFCK-UHFFFAOYSA-N 0 0 400.438 4.349 20 30 HIEDRN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Br)cc1OCCCO ZINC000461987325 875106695 /nfs/dbraw/zinc/10/66/95/875106695.db2.gz VJEMFBPIHNXRKG-GFCCVEGCSA-N 0 0 420.263 4.163 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 ZINC000468865560 882897418 /nfs/dbraw/zinc/89/74/18/882897418.db2.gz GPHOEOHAFGBDJH-UHFFFAOYSA-N 0 0 413.477 4.312 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)cc1 ZINC000462029312 875144213 /nfs/dbraw/zinc/14/42/13/875144213.db2.gz SRLBNDNCGBYCSN-UHFFFAOYSA-N 0 0 402.523 4.030 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000462030652 875145378 /nfs/dbraw/zinc/14/53/78/875145378.db2.gz ZMGXXBBOYBJKJZ-KRWDZBQOSA-N 0 0 419.403 4.324 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCCN3CC(F)(F)F)cc2F)c1 ZINC000462039566 875152817 /nfs/dbraw/zinc/15/28/17/875152817.db2.gz OQBPLDUKRSYJAM-SFHVURJKSA-N 0 0 421.394 4.242 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cn1 ZINC000462089646 875198183 /nfs/dbraw/zinc/19/81/83/875198183.db2.gz SFZFFNWDPZLOPH-HSZRJFAPSA-N 0 0 420.476 4.319 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000462094509 875204183 /nfs/dbraw/zinc/20/41/83/875204183.db2.gz VBTPIIDWBXKOEW-UHFFFAOYSA-N 0 0 420.904 4.692 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](CC(C)(C)C)c1ccccc1 ZINC000462094715 875204589 /nfs/dbraw/zinc/20/45/89/875204589.db2.gz BNQVUPUUIVUIKT-IBGZPJMESA-N 0 0 402.502 4.746 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000462098654 875208410 /nfs/dbraw/zinc/20/84/10/875208410.db2.gz VNZBIGFVXWLUCF-QHCPKHFHSA-N 0 0 422.492 4.667 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cn1 ZINC000462099574 875208699 /nfs/dbraw/zinc/20/86/99/875208699.db2.gz YLQDOTJCFPATBP-INIZCTEOSA-N 0 0 424.867 4.170 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000462099927 875208859 /nfs/dbraw/zinc/20/88/59/875208859.db2.gz TVIWYIAUNLCMAD-UHFFFAOYSA-N 0 0 422.492 4.797 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000462100390 875209768 /nfs/dbraw/zinc/20/97/68/875209768.db2.gz GCIBPBHABLMODL-ORPRQENYSA-N 0 0 420.904 4.620 20 30 HIEDRN CCCCN(Cc1ccccc1Cl)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000462103350 875211946 /nfs/dbraw/zinc/21/19/46/875211946.db2.gz OBDSHKDQBBSJQW-UHFFFAOYSA-N 0 0 422.920 4.935 20 30 HIEDRN CCC(CC)(NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)c1ccc(Cl)cc1 ZINC000462106087 875212671 /nfs/dbraw/zinc/21/26/71/875212671.db2.gz VVEANWKFVLQNII-UHFFFAOYSA-N 0 0 422.920 4.938 20 30 HIEDRN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462108258 875214072 /nfs/dbraw/zinc/21/40/72/875214072.db2.gz LGKGSINXEOYUBS-GFCCVEGCSA-N 0 0 415.284 4.198 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCN(Cc4ccccc4)c4ccccc43)n2)c1 ZINC000462125329 875227958 /nfs/dbraw/zinc/22/79/58/875227958.db2.gz YXBDCLDUVUHTSD-UHFFFAOYSA-N 0 0 419.488 4.411 20 30 HIEDRN Cc1nc(-c2ccc(CCNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)s2)cs1 ZINC000462138104 875237804 /nfs/dbraw/zinc/23/78/04/875237804.db2.gz HCFVETFOHCCXED-UHFFFAOYSA-N 0 0 424.551 4.067 20 30 HIEDRN CSc1cccc([C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)c2cc(F)ccc2F)c1 ZINC000462178228 875277069 /nfs/dbraw/zinc/27/70/69/875277069.db2.gz UTTKIXAXQOMLGX-VXKWHMMOSA-N 0 0 415.509 4.174 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)CC2)c(F)c1 ZINC000468878229 882913991 /nfs/dbraw/zinc/91/39/91/882913991.db2.gz HRHNCAZXUOBIGZ-UHFFFAOYSA-N 0 0 408.864 4.308 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NCC(=O)N(C)CCOc1ccccc1F ZINC000462226636 875335778 /nfs/dbraw/zinc/33/57/78/875335778.db2.gz ATEBQFYGARAEBH-MRXNPFEDSA-N 0 0 401.507 4.169 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000462230144 875340932 /nfs/dbraw/zinc/34/09/32/875340932.db2.gz SNCRNNYXSPSDIT-JXFKEZNVSA-N 0 0 413.518 4.089 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NCC(=O)NCCOc1cccc(Cl)c1 ZINC000462232654 875344215 /nfs/dbraw/zinc/34/42/15/875344215.db2.gz NUGYYJCMUMPMOP-HNNXBMFYSA-N 0 0 403.935 4.341 20 30 HIEDRN COc1cccc([C@@H](NCC(=O)NCc2cccc(C#N)c2)c2ccccc2Cl)c1 ZINC000462233594 875345876 /nfs/dbraw/zinc/34/58/76/875345876.db2.gz DIGRXVJILRAKPX-XMMPIXPASA-N 0 0 419.912 4.216 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462242475 875358869 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/nfs/dbraw/zinc/48/05/81/880480581.db2.gz SDONCUOSEGLXIN-GOSISDBHSA-N 0 0 415.497 4.058 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc(C(=O)OC)ccc1C(C)C ZINC000466692181 880481489 /nfs/dbraw/zinc/48/14/89/880481489.db2.gz RCPFYIROJQJOIY-UHFFFAOYSA-N 0 0 411.458 4.137 20 30 HIEDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000466720401 880508509 /nfs/dbraw/zinc/50/85/09/880508509.db2.gz PVKQUVHVSWSZFI-RUZDIDTESA-N 0 0 403.526 4.337 20 30 HIEDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000466720402 880508710 /nfs/dbraw/zinc/50/87/10/880508710.db2.gz PVKQUVHVSWSZFI-VWLOTQADSA-N 0 0 403.526 4.337 20 30 HIEDRN COc1ccc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC000466724452 880511156 /nfs/dbraw/zinc/51/11/56/880511156.db2.gz HWVHZGPTJDAIAF-GOSISDBHSA-N 0 0 409.505 4.349 20 30 HIEDRN CCOC(=O)c1cnc(C)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000503525235 912575565 /nfs/dbraw/zinc/57/55/65/912575565.db2.gz BGGCRYSYWMHPMN-UHFFFAOYSA-N 0 0 401.422 4.483 20 30 HIEDRN C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000466728432 880514228 /nfs/dbraw/zinc/51/42/28/880514228.db2.gz IWVBHFQFNVMKKO-MRVPVSSYSA-N 0 0 417.281 4.617 20 30 HIEDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Nc3ccc(C(C)(C)C#N)cc3)ccc2NC1=O ZINC000466763838 880544129 /nfs/dbraw/zinc/54/41/29/880544129.db2.gz CCTIMZOZTAFYQO-KUHUBIRLSA-N 0 0 406.486 4.480 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000466783730 880562659 /nfs/dbraw/zinc/56/26/59/880562659.db2.gz ZRCRGJUJUNURIT-LAUBAEHRSA-N 0 0 407.514 4.297 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 ZINC000466784842 880563563 /nfs/dbraw/zinc/56/35/63/880563563.db2.gz HLUPWEBKELEEKW-HXUWFJFHSA-N 0 0 422.326 4.409 20 30 HIEDRN COc1cc(CN(C(=O)NCCc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000466812349 880587691 /nfs/dbraw/zinc/58/76/91/880587691.db2.gz LWYVXAOBWLYGDL-UHFFFAOYSA-N 0 0 415.440 4.085 20 30 HIEDRN CCN(C[C@H](C)C#N)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000466831710 880600699 /nfs/dbraw/zinc/60/06/99/880600699.db2.gz OXBCIHIBWYKYSC-QGZVFWFLSA-N 0 0 421.570 4.176 20 30 HIEDRN CSc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000466842378 880611316 /nfs/dbraw/zinc/61/13/16/880611316.db2.gz PGMSDCAVPUOYFK-MRXNPFEDSA-N 0 0 422.554 4.401 20 30 HIEDRN CCC[C@@H]1CCCN(C(=O)COc2c(Br)cc(C#N)cc2OCC)C1 ZINC000466870280 880637566 /nfs/dbraw/zinc/63/75/66/880637566.db2.gz KWMGRIXNGSQZBF-CQSZACIVSA-N 0 0 409.324 4.137 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000466878735 880645885 /nfs/dbraw/zinc/64/58/85/880645885.db2.gz VALWFMCDOLYDQU-UHFFFAOYSA-N 0 0 415.896 4.349 20 30 HIEDRN C=CCN(C(=O)N[C@@H](C)c1ccc(SC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000466925667 880694757 /nfs/dbraw/zinc/69/47/57/880694757.db2.gz HISUMVRNXHHPDL-IRXDYDNUSA-N 0 0 422.558 4.404 20 30 HIEDRN Cc1cnn(-c2ccncc2NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000503543901 912606189 /nfs/dbraw/zinc/60/61/89/912606189.db2.gz VFYCXXKMNZHVOX-UHFFFAOYSA-N 0 0 409.449 4.279 20 30 HIEDRN Cc1nc(-c2ccc(CCNC(=O)c3ccn(-c4cccc(C#N)c4)n3)s2)cs1 ZINC000466983995 880794266 /nfs/dbraw/zinc/79/42/66/880794266.db2.gz XHVUGKMILGBGDS-UHFFFAOYSA-N 0 0 419.535 4.210 20 30 HIEDRN CCC[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000467039609 880836517 /nfs/dbraw/zinc/83/65/17/880836517.db2.gz ARDAIICXGJTPJF-OAHLLOKOSA-N 0 0 401.561 4.746 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2CC(=O)c2cccs2)cc1Cl ZINC000467066034 880848642 /nfs/dbraw/zinc/84/86/42/880848642.db2.gz UCYTWZKGRVVTHB-HNNXBMFYSA-N 0 0 422.959 4.479 20 30 HIEDRN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000467081909 880853719 /nfs/dbraw/zinc/85/37/19/880853719.db2.gz BKWKHWHYIZXTIQ-UHFFFAOYSA-N 0 0 402.479 4.221 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 ZINC000467085527 880854767 /nfs/dbraw/zinc/85/47/67/880854767.db2.gz NAZRQEHTGPIBII-UHFFFAOYSA-N 0 0 402.479 4.221 20 30 HIEDRN COC[C@H]1CCCCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000467096341 880860265 /nfs/dbraw/zinc/86/02/65/880860265.db2.gz YIKIJJLJTGWXQX-NRFANRHFSA-N 0 0 420.509 4.153 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cc1 ZINC000467114672 880873011 /nfs/dbraw/zinc/87/30/11/880873011.db2.gz ZPWMQITZIZKHKF-UHFFFAOYSA-N 0 0 400.910 4.157 20 30 HIEDRN C=CCCN(C)C(=O)C(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000467128351 880880013 /nfs/dbraw/zinc/88/00/13/880880013.db2.gz KJJKMCBMQBGKDY-UHFFFAOYSA-N 0 0 402.882 4.021 20 30 HIEDRN C=CCCN(C)C(=O)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000467141677 880883233 /nfs/dbraw/zinc/88/32/33/880883233.db2.gz JVRXVMMFFWJVOY-UHFFFAOYSA-N 0 0 406.404 4.257 20 30 HIEDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162247 880893421 /nfs/dbraw/zinc/89/34/21/880893421.db2.gz YKRPMVCRIAXRCJ-SNVBAGLBSA-N 0 0 404.360 4.237 20 30 HIEDRN C[C@]1(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCO[C@H]1C1CC1 ZINC000467166944 880896799 /nfs/dbraw/zinc/89/67/99/880896799.db2.gz YLYLLXRQLODDBX-XUZZJYLKSA-N 0 0 418.497 4.137 20 30 HIEDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000503551871 912619328 /nfs/dbraw/zinc/61/93/28/912619328.db2.gz SCMAAYKPRQNXSL-MSOLQXFVSA-N 0 0 406.486 4.015 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000467186117 880912386 /nfs/dbraw/zinc/91/23/86/880912386.db2.gz KWJBCQQJDHEKBW-LJQANCHMSA-N 0 0 401.514 4.128 20 30 HIEDRN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000467192343 880921745 /nfs/dbraw/zinc/92/17/45/880921745.db2.gz TXKIYRGOPDCIBJ-UYAOXDASSA-N 0 0 419.294 4.037 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1csc(Br)c1 ZINC000467193327 880921780 /nfs/dbraw/zinc/92/17/80/880921780.db2.gz FZEMHDCYAMZWAD-CYBMUJFWSA-N 0 0 424.339 4.417 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)c1ccccc1 ZINC000467232355 880959077 /nfs/dbraw/zinc/95/90/77/880959077.db2.gz WWIGAJSBADPLGF-HSZRJFAPSA-N 0 0 421.541 4.147 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000503557077 912627272 /nfs/dbraw/zinc/62/72/72/912627272.db2.gz HYEUUSVMYLBNBP-UHFFFAOYSA-N 0 0 415.490 4.322 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnn(-c3ccccc3OC)c2C)cc1 ZINC000467252358 880982110 /nfs/dbraw/zinc/98/21/10/880982110.db2.gz YORYOOTZMDVFHB-UHFFFAOYSA-N 0 0 404.470 4.149 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000467258200 880994578 /nfs/dbraw/zinc/99/45/78/880994578.db2.gz AHKUGRHEVSQETI-HNNXBMFYSA-N 0 0 412.921 4.321 20 30 HIEDRN CN(Cc1ccccc1C#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467266988 881007340 /nfs/dbraw/zinc/00/73/40/881007340.db2.gz BKQWUJXZRCOEIS-UHFFFAOYSA-N 0 0 403.320 4.102 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1N ZINC000467268890 881008123 /nfs/dbraw/zinc/00/81/23/881008123.db2.gz PCYNJJLSGDCQGM-HNNXBMFYSA-N 0 0 400.269 4.064 20 30 HIEDRN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000467286526 881034407 /nfs/dbraw/zinc/03/44/07/881034407.db2.gz WEXJGMIUAZBUFK-OALUTQOASA-N 0 0 406.482 4.250 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](c3nc[nH]n3)c3ccccc3)cc2)c1 ZINC000467330429 881078430 /nfs/dbraw/zinc/07/84/30/881078430.db2.gz IASKWQRMFYZXEY-OAQYLSRUSA-N 0 0 410.437 4.380 20 30 HIEDRN COC(=O)COc1ccc([C@@H](C)NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000467339140 881089148 /nfs/dbraw/zinc/08/91/48/881089148.db2.gz QTZWIOSJUXBEIN-GFCCVEGCSA-N 0 0 421.375 4.012 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000467368251 881140411 /nfs/dbraw/zinc/14/04/11/881140411.db2.gz FPRANFIXDMWALB-QGZVFWFLSA-N 0 0 407.804 4.418 20 30 HIEDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000467410528 881197650 /nfs/dbraw/zinc/19/76/50/881197650.db2.gz IDYOAHBINPFDEZ-OALUTQOASA-N 0 0 422.529 4.024 20 30 HIEDRN Cc1cc(NC(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)nn1CCC#N ZINC000467458168 881266436 /nfs/dbraw/zinc/26/64/36/881266436.db2.gz QINODYKGEXMUEH-QGZVFWFLSA-N 0 0 407.543 4.807 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000467467158 881281861 /nfs/dbraw/zinc/28/18/61/881281861.db2.gz GAZRMUHXJJHEGB-CABCVRRESA-N 0 0 415.950 4.387 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000467505177 881320140 /nfs/dbraw/zinc/32/01/40/881320140.db2.gz VIZCQPHCRUNIDU-HXUWFJFHSA-N 0 0 418.497 4.240 20 30 HIEDRN C=CCN1CC[C@@H](N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2C)C1=O ZINC000467516065 881331328 /nfs/dbraw/zinc/33/13/28/881331328.db2.gz FCAMBFURMNHHII-HSZRJFAPSA-N 0 0 400.526 4.066 20 30 HIEDRN N#Cc1ccc(F)cc1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 ZINC000469057462 883130405 /nfs/dbraw/zinc/13/04/05/883130405.db2.gz WHSKEGRMZWDZPF-UHFFFAOYSA-N 0 0 402.454 4.143 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NCc3cc(Cl)c4c(c3)OCCO4)ccc21 ZINC000469138145 883234830 /nfs/dbraw/zinc/23/48/30/883234830.db2.gz VCWRDRLNUDHZSE-UHFFFAOYSA-N 0 0 411.889 4.306 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)on2)c1 ZINC000469156596 883254543 /nfs/dbraw/zinc/25/45/43/883254543.db2.gz UWOLEPDTLAZVOQ-GOSISDBHSA-N 0 0 403.413 4.087 20 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ZINC000470904420 885409315 /nfs/dbraw/zinc/40/93/15/885409315.db2.gz VRAVOQKXFHWESA-GOSISDBHSA-N 0 0 415.415 4.363 20 30 HIEDRN C=C(C)CN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)Cc1ccccc1 ZINC000470926754 885432332 /nfs/dbraw/zinc/43/23/32/885432332.db2.gz SZSNWFWPOYRCGK-UHFFFAOYSA-N 0 0 406.555 4.355 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)cc1 ZINC000470958565 885457143 /nfs/dbraw/zinc/45/71/43/885457143.db2.gz KWTFPUTUVNZRRM-GMAHTHKFSA-N 0 0 420.944 4.065 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1 ZINC000470958566 885457429 /nfs/dbraw/zinc/45/74/29/885457429.db2.gz KWTFPUTUVNZRRM-JTHBVZDNSA-N 0 0 420.944 4.065 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000470996616 885496288 /nfs/dbraw/zinc/49/62/88/885496288.db2.gz SEGFVQNHKWAPAF-FQEVSTJZSA-N 0 0 417.340 4.204 20 30 HIEDRN CCc1cccc(CC)c1NC(=O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003231 885505038 /nfs/dbraw/zinc/50/50/38/885505038.db2.gz 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C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000471014543 885517816 /nfs/dbraw/zinc/51/78/16/885517816.db2.gz LMGOUTVLXNATOE-LBPRGKRZSA-N 0 0 412.902 4.173 20 30 HIEDRN CC(C)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Br ZINC000471054508 885569043 /nfs/dbraw/zinc/56/90/43/885569043.db2.gz YCSSHAXEHSSRKZ-QGZVFWFLSA-N 0 0 410.315 4.097 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000471076697 885600453 /nfs/dbraw/zinc/60/04/53/885600453.db2.gz OLUGCJPXINJROI-RBUKOAKNSA-N 0 0 403.511 4.186 20 30 HIEDRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000471089467 885619285 /nfs/dbraw/zinc/61/92/85/885619285.db2.gz AGANWDBIOUPKCZ-HNNXBMFYSA-N 0 0 400.413 4.442 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(Cc3ccccc3)c3ccccc32)cc1 ZINC000471101798 885634741 /nfs/dbraw/zinc/63/47/41/885634741.db2.gz PKFKSHXDVOFXFD-HSZRJFAPSA-N 0 0 406.489 4.294 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(Cc3ccccc3)c3ccccc32)cc1 ZINC000471101799 885635223 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C=CCc1cc(CNC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(OC)c1OC ZINC000471176599 885738344 /nfs/dbraw/zinc/73/83/44/885738344.db2.gz KCKJSIMRNODAIJ-FOIQADDNSA-N 0 0 416.543 4.165 20 30 HIEDRN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000471178863 885743031 /nfs/dbraw/zinc/74/30/31/885743031.db2.gz PSFIQHUMRQPPJW-WMZOPIPTSA-N 0 0 415.538 4.021 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000504066229 912968925 /nfs/dbraw/zinc/96/89/25/912968925.db2.gz DZUHKNIFHILTQI-UHFFFAOYSA-N 0 0 411.509 4.360 20 30 HIEDRN Cc1sc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1CS(C)(=O)=O ZINC000471191624 885760003 /nfs/dbraw/zinc/76/00/03/885760003.db2.gz PDTNHYAAVKPBIY-UHFFFAOYSA-N 0 0 422.597 4.446 20 30 HIEDRN CCCc1c(NC(=O)Nc2cc(C(=O)OC)ccc2C)cnn1-c1cccc(C#N)c1 ZINC000471191904 885760044 /nfs/dbraw/zinc/76/00/44/885760044.db2.gz QUOYFQCIZUPBPH-UHFFFAOYSA-N 0 0 417.469 4.436 20 30 HIEDRN N#CCCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)CC1CC1 ZINC000471201617 885772124 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N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(N4CCCCC4)cc3)C2)c(F)c1 ZINC000471960087 886778008 /nfs/dbraw/zinc/77/80/08/886778008.db2.gz CTYFWBLDQMSGHZ-HXUWFJFHSA-N 0 0 406.505 4.086 20 30 HIEDRN CCN1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000471971978 886803443 /nfs/dbraw/zinc/80/34/43/886803443.db2.gz YCADVMJAMQIXHX-ICSRJNTNSA-N 0 0 402.420 4.241 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471983966 886812020 /nfs/dbraw/zinc/81/20/20/886812020.db2.gz DQHYEVMYEHWEFW-WOJBJXKFSA-N 0 0 402.420 4.321 20 30 HIEDRN CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(-c2ccccc2)nn1 ZINC000472004023 886829349 /nfs/dbraw/zinc/82/93/49/886829349.db2.gz WHJNDXFCHKHRGB-UHFFFAOYSA-N 0 0 410.433 4.464 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000472013033 886835535 /nfs/dbraw/zinc/83/55/35/886835535.db2.gz NUPWDCUFBMUXIR-AREMUKBSSA-N 0 0 410.473 4.409 20 30 HIEDRN Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000472013971 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N#C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CCc2ccccc2C1 ZINC000472248251 887058063 /nfs/dbraw/zinc/05/80/63/887058063.db2.gz BNMHZUOBMXFRMS-OPYAIIAOSA-N 0 0 400.400 4.256 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c[nH]c2ncc(Br)cc12 ZINC000472249290 887060139 /nfs/dbraw/zinc/06/01/39/887060139.db2.gz BZRDXQUZOHRXMQ-UHFFFAOYSA-N 0 0 422.204 4.126 20 30 HIEDRN N#C[C@@]1(NC(=O)CCCc2ccc(Br)s2)CCc2ccccc2C1 ZINC000472256554 887066617 /nfs/dbraw/zinc/06/66/17/887066617.db2.gz KEERGCRBCLADMD-LJQANCHMSA-N 0 0 403.345 4.401 20 30 HIEDRN Cc1noc(C)c1COc1cccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000472260975 887074566 /nfs/dbraw/zinc/07/45/66/887074566.db2.gz RBOUHRJFKONSAB-XMMPIXPASA-N 0 0 401.466 4.052 20 30 HIEDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)c12 ZINC000472263113 887075899 /nfs/dbraw/zinc/07/58/99/887075899.db2.gz RUGVJCMOXWCHEK-SANMLTNESA-N 0 0 421.504 4.125 20 30 HIEDRN CC(C)c1ccc(-c2noc(CCC(=O)N[C@]3(C#N)CCc4ccccc4C3)n2)cc1 ZINC000472277248 887093433 /nfs/dbraw/zinc/09/34/33/887093433.db2.gz MUWZVVYVLGLKGQ-RUZDIDTESA-N 0 0 414.509 4.360 20 30 HIEDRN Cc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000472277087 887093593 /nfs/dbraw/zinc/09/35/93/887093593.db2.gz LRIKHRMMMINVSN-AREMUKBSSA-N 0 0 409.489 4.428 20 30 HIEDRN N#C[C@@]1(NC(=O)COc2ccccc2OCc2ccccc2)CCc2ccccc2C1 ZINC000472280145 887097673 /nfs/dbraw/zinc/09/76/73/887097673.db2.gz RUEIABQKSKGRSD-AREMUKBSSA-N 0 0 412.489 4.212 20 30 HIEDRN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000472283295 887102182 /nfs/dbraw/zinc/10/21/82/887102182.db2.gz ZTYNJIGWKVDJEM-HSZRJFAPSA-N 0 0 421.497 4.351 20 30 HIEDRN N#C[C@]1(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CCc2ccccc2C1 ZINC000472286097 887104139 /nfs/dbraw/zinc/10/41/39/887104139.db2.gz HXDOOUBMCXBHLO-NRFANRHFSA-N 0 0 411.292 4.360 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000472305169 887129964 /nfs/dbraw/zinc/12/99/64/887129964.db2.gz JFNXWRDPXIVTQG-VQTJNVASSA-N 0 0 402.420 4.321 20 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/nfs/dbraw/zinc/23/31/83/887233183.db2.gz ZPTALWCPHUGXEY-OAHLLOKOSA-N 0 0 407.470 4.363 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccccc1SC(C)C ZINC000472418735 887265915 /nfs/dbraw/zinc/26/59/15/887265915.db2.gz WKNVBSRFTDANRO-UHFFFAOYSA-N 0 0 413.499 4.249 20 30 HIEDRN COc1cc(C(=O)Nc2cc(C)n(CCC#N)n2)cc(Cl)c1OCCC(C)C ZINC000504275424 913131252 /nfs/dbraw/zinc/13/12/52/913131252.db2.gz WRIYZDRUMHABNA-UHFFFAOYSA-N 0 0 404.898 4.444 20 30 HIEDRN COCCC[C@H](Cc1ccccc1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000472463190 887321571 /nfs/dbraw/zinc/32/15/71/887321571.db2.gz DOMYJBOMEXILFQ-XMMPIXPASA-N 0 0 403.526 4.395 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000472474716 887337330 /nfs/dbraw/zinc/33/73/30/887337330.db2.gz DFTUDDADYRZVTO-SECBINFHSA-N 0 0 402.829 4.146 20 30 HIEDRN C=CCn1c(SCc2nc3ccccc3n2C)nnc1[C@@H]1COc2ccccc2O1 ZINC000504282396 913137662 /nfs/dbraw/zinc/13/76/62/913137662.db2.gz UBLXCARHZYPSHO-IBGZPJMESA-N 0 0 419.510 4.156 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000472499982 887367416 /nfs/dbraw/zinc/36/74/16/887367416.db2.gz NVIUAYQYKGBWNY-QGZVFWFLSA-N 0 0 418.863 4.006 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000472511785 887380615 /nfs/dbraw/zinc/38/06/15/887380615.db2.gz CRJUYVROLALFRW-KNQAVFIVSA-N 0 0 406.505 4.255 20 30 HIEDRN Cn1ccc2cccc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)c21 ZINC000472532959 887405362 /nfs/dbraw/zinc/40/53/62/887405362.db2.gz BLJMNNMFYPNQOJ-UHFFFAOYSA-N 0 0 410.433 4.419 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000504289971 913144204 /nfs/dbraw/zinc/14/42/04/913144204.db2.gz PVGNAQRGIHYXDS-AWEZNQCLSA-N 0 0 401.304 4.325 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000472547177 887427976 /nfs/dbraw/zinc/42/79/76/887427976.db2.gz KMELEAGALALSCA-DOTOQJQBSA-N 0 0 422.872 4.157 20 30 HIEDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)n2)cc1F ZINC000472563523 887450725 /nfs/dbraw/zinc/45/07/25/887450725.db2.gz OTRWSEHJRTYULY-FOIQADDNSA-N 0 0 422.460 4.337 20 30 HIEDRN N#CC(CCN1CCN(CC(F)(F)C(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000472590506 887467392 /nfs/dbraw/zinc/46/73/92/887467392.db2.gz GFWKVKBVBZZQPY-UHFFFAOYSA-N 0 0 419.466 4.404 20 30 HIEDRN CN(C(=O)CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C1(C#N)CCCCC1 ZINC000472601308 887472944 /nfs/dbraw/zinc/47/29/44/887472944.db2.gz XYIVCHPBRFKPGL-NRFANRHFSA-N 0 0 405.546 4.289 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000504307629 913156463 /nfs/dbraw/zinc/15/64/63/913156463.db2.gz SDDVYVJEGDMQQA-MRXNPFEDSA-N 0 0 419.447 4.366 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCC2(C(F)F)CC2)cc1Cl ZINC000472790284 887636206 /nfs/dbraw/zinc/63/62/06/887636206.db2.gz SDUGLTQORYIVLC-INIZCTEOSA-N 0 0 417.843 4.095 20 30 HIEDRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nn1CCCOc1ccc(F)cc1 ZINC000504319234 913165362 /nfs/dbraw/zinc/16/53/62/913165362.db2.gz XSAYNCVDKUMTPG-KRWDZBQOSA-N 0 0 422.460 4.077 20 30 HIEDRN COCCOc1cc(OC)ccc1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000472801447 887646353 /nfs/dbraw/zinc/64/63/53/887646353.db2.gz CWZYFRYGPNWCLB-OAHLLOKOSA-N 0 0 400.500 4.224 20 30 HIEDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000472808724 887652730 /nfs/dbraw/zinc/65/27/30/887652730.db2.gz VZYXVUCPCNKQIA-OAHLLOKOSA-N 0 0 420.538 4.136 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000472820323 887663789 /nfs/dbraw/zinc/66/37/89/887663789.db2.gz AUKBNKHHSMPLHW-UHFFFAOYSA-N 0 0 402.498 4.033 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000472820774 887665536 /nfs/dbraw/zinc/66/55/36/887665536.db2.gz CJSMVGINLSDXGE-UHFFFAOYSA-N 0 0 402.498 4.033 20 30 HIEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000472824692 887670674 /nfs/dbraw/zinc/67/06/74/887670674.db2.gz CSJLBOMXIQMXEE-WMLDXEAASA-N 0 0 415.584 4.208 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 ZINC000472829641 887678313 /nfs/dbraw/zinc/67/83/13/887678313.db2.gz SLULZARUQZKYOK-UHFFFAOYSA-N 0 0 421.541 4.148 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000472833054 887683457 /nfs/dbraw/zinc/68/34/57/887683457.db2.gz XUWWLJOQUUTGJJ-UHFFFAOYSA-N 0 0 408.832 4.485 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000472845505 887698291 /nfs/dbraw/zinc/69/82/91/887698291.db2.gz FURSBUOZUMDLBP-UHFFFAOYSA-N 0 0 405.542 4.466 20 30 HIEDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000472848212 887701606 /nfs/dbraw/zinc/70/16/06/887701606.db2.gz KEEMKCDBWDOUKX-SFHVURJKSA-N 0 0 404.518 4.099 20 30 HIEDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000472855183 887710765 /nfs/dbraw/zinc/71/07/65/887710765.db2.gz TZUVBXCDBXVNMD-SFHVURJKSA-N 0 0 410.481 4.419 20 30 HIEDRN O=C(Nc1ccccc1C#Cc1ccccc1)N1CCCN(c2nccs2)CC1 ZINC000472857749 887713987 /nfs/dbraw/zinc/71/39/87/887713987.db2.gz UPHBTFYWOAUVLI-UHFFFAOYSA-N 0 0 402.523 4.287 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 ZINC000504351402 913184647 /nfs/dbraw/zinc/18/46/47/913184647.db2.gz KFCQBOPMQJBPAL-LJQANCHMSA-N 0 0 410.518 4.394 20 30 HIEDRN Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cccc(I)c3C)nc21 ZINC000473120572 887914983 /nfs/dbraw/zinc/91/49/83/887914983.db2.gz TVHQRNRWYIXSGM-CYBMUJFWSA-N 0 0 415.234 4.274 20 30 HIEDRN CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc3c(cccc3C)[nH]2)cc(C(F)(F)F)c1 ZINC000473126715 887919776 /nfs/dbraw/zinc/91/97/76/887919776.db2.gz LTCOVKMUJVJKOB-HNNXBMFYSA-N 0 0 400.360 4.339 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000504367587 913196530 /nfs/dbraw/zinc/19/65/30/913196530.db2.gz GYQFVQNBQDTYLP-CJNGLKHVSA-N 0 0 404.864 4.066 20 30 HIEDRN C=CC[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CCCC1(C)C ZINC000473234705 888006421 /nfs/dbraw/zinc/00/64/21/888006421.db2.gz NSCNBSNZZMJPJB-MRXNPFEDSA-N 0 0 418.481 4.284 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N2CCN(c3cncc4ccccc43)CC2)c1 ZINC000473239190 888008462 /nfs/dbraw/zinc/00/84/62/888008462.db2.gz STDOMQBEQQLITA-UHFFFAOYSA-N 0 0 414.509 4.004 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000473242142 888010305 /nfs/dbraw/zinc/01/03/05/888010305.db2.gz UMRRURQHSWCQRS-UHFFFAOYSA-N 0 0 411.403 4.098 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000473322241 888062601 /nfs/dbraw/zinc/06/26/01/888062601.db2.gz RKQKUTICLTTYNE-FQEVSTJZSA-N 0 0 423.488 4.014 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000473341539 888072907 /nfs/dbraw/zinc/07/29/07/888072907.db2.gz CDPKXIPMVXJQPW-UHFFFAOYSA-N 0 0 421.403 4.192 20 30 HIEDRN CCC1(CNC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CCCC1 ZINC000473354959 888080314 /nfs/dbraw/zinc/08/03/14/888080314.db2.gz KHXKIXAVTRANOQ-UHFFFAOYSA-N 0 0 406.486 4.079 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000473360909 888084280 /nfs/dbraw/zinc/08/42/80/888084280.db2.gz YTSQZQRLIAJSPF-QFIPXVFZSA-N 0 0 419.506 4.181 20 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888324661 /nfs/dbraw/zinc/32/46/61/888324661.db2.gz PQAARNFKNAAKSO-SFHVURJKSA-N 0 0 414.962 4.477 20 30 HIEDRN C=CCOc1cccc(NC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000473638436 888381553 /nfs/dbraw/zinc/38/15/53/888381553.db2.gz AZXLETIHZPXSHA-UHFFFAOYSA-N 0 0 407.514 4.120 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@H](CO)c3ccsc3)cc2F)c1 ZINC000473675171 888438420 /nfs/dbraw/zinc/43/84/20/888438420.db2.gz JXELSWABUUYFLR-LJQANCHMSA-N 0 0 411.458 4.193 20 30 HIEDRN CCOC(=O)C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000473680542 888447723 /nfs/dbraw/zinc/44/77/23/888447723.db2.gz WDMHQTOKDHDXGL-GOSISDBHSA-N 0 0 411.889 4.460 20 30 HIEDRN N#Cc1ccccc1OCCOc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000473681947 888449415 /nfs/dbraw/zinc/44/94/15/888449415.db2.gz LTXWBIXXGLREOL-UHFFFAOYSA-N 0 0 412.243 4.361 20 30 HIEDRN Cc1csc(NC2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)n1 ZINC000473683197 888453082 /nfs/dbraw/zinc/45/30/82/888453082.db2.gz QPTARHBLDGMGND-UHFFFAOYSA-N 0 0 417.538 4.355 20 30 HIEDRN CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000473694978 888469578 /nfs/dbraw/zinc/46/95/78/888469578.db2.gz UQAKTRMYIMCGBF-VWLOTQADSA-N 0 0 423.516 4.375 20 30 HIEDRN CCC[C@@H](NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)c(Cl)c1 ZINC000504437811 913248112 /nfs/dbraw/zinc/24/81/12/913248112.db2.gz CREWIHYRCZLHNB-MRXNPFEDSA-N 0 0 422.316 4.008 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CC3(CCCC3)c3c2cccc3F)c1 ZINC000473701303 888476579 /nfs/dbraw/zinc/47/65/79/888476579.db2.gz ULDKSKGFTGNJQG-OAQYLSRUSA-N 0 0 417.484 4.047 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000473705081 888482409 /nfs/dbraw/zinc/48/24/09/888482409.db2.gz ILTPMKRDDYCYON-WSTZPKSXSA-N 0 0 421.566 4.357 20 30 HIEDRN O=C(CCCc1cccc(C(F)(F)F)c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000473754204 888542986 /nfs/dbraw/zinc/54/29/86/888542986.db2.gz XIXHYSBIZGLWJB-UHFFFAOYSA-N 0 0 414.365 4.073 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000473778403 888581143 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/nfs/dbraw/zinc/59/76/45/898597645.db2.gz SUQZPIMQKABGEF-WDEREUQCSA-N 0 0 407.699 4.047 20 30 HIEDRN C[C@@H](CC[S@@](C)=O)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000482983927 898622946 /nfs/dbraw/zinc/62/29/46/898622946.db2.gz REFJXWJDUIFLKX-JGTBNHKDSA-N 0 0 405.907 4.283 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000482990907 898633509 /nfs/dbraw/zinc/63/35/09/898633509.db2.gz WQCVHQSYABPJPT-OAQYLSRUSA-N 0 0 401.470 4.254 20 30 HIEDRN C=CCSc1ccccc1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000482997538 898645031 /nfs/dbraw/zinc/64/50/31/898645031.db2.gz HPWLYORANVJTBF-UHFFFAOYSA-N 0 0 412.374 4.423 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(C#N)s2)cnn1-c1cc(F)c(OC)cc1F ZINC000483017111 898672310 /nfs/dbraw/zinc/67/23/10/898672310.db2.gz RKEKNSOWKSSYHQ-UHFFFAOYSA-N 0 0 402.426 4.297 20 30 HIEDRN COc1ccccc1OC[C@@H](C)CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000483038017 898705677 /nfs/dbraw/zinc/70/56/77/898705677.db2.gz FUNBNQKLAFMWKJ-ZDUSSCGKSA-N 0 0 405.401 4.005 20 30 HIEDRN COC(=O)c1cc(Br)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000483072140 898753976 /nfs/dbraw/zinc/75/39/76/898753976.db2.gz FMWNHLDAUVXGAE-AWEZNQCLSA-N 0 0 401.260 4.262 20 30 HIEDRN CC(C)n1cc2c(n1)C[C@H](NC(=O)c1ccc(OCc3ccccc3C#N)cc1)CC2 ZINC000483078081 898761529 /nfs/dbraw/zinc/76/15/29/898761529.db2.gz WGEMJWSWXWTZOT-JOCHJYFZSA-N 0 0 414.509 4.202 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NCc2nc(C(C)C)cs2)nnc1-c1ccco1 ZINC000483102295 898794882 /nfs/dbraw/zinc/79/48/82/898794882.db2.gz QNWVCGWCSUPFCJ-UHFFFAOYSA-N 0 0 417.560 4.103 20 30 HIEDRN Cn1ncc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)c1C#N ZINC000483104633 898796522 /nfs/dbraw/zinc/79/65/22/898796522.db2.gz IPQLUFZJDOMMJL-UHFFFAOYSA-N 0 0 407.886 4.402 20 30 HIEDRN COC[C@H](C)N(C)C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C ZINC000483179679 898844861 /nfs/dbraw/zinc/84/48/61/898844861.db2.gz PGFLVUHAYPZLCP-AWEZNQCLSA-N 0 0 401.532 4.132 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(I)c(F)c1)c1nccc2ccccc21 ZINC000483193205 898850221 /nfs/dbraw/zinc/85/02/21/898850221.db2.gz HDNMALQLKKUUQU-AWEZNQCLSA-N 0 0 416.193 4.469 20 30 HIEDRN Cc1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1I ZINC000483227498 898870656 /nfs/dbraw/zinc/87/06/56/898870656.db2.gz BXWPXHLESXKPGD-CYBMUJFWSA-N 0 0 413.218 4.033 20 30 HIEDRN C=CCn1c(SCc2nc3c(cccc3F)n2CC)nc2sccc2c1=O ZINC000483245614 898887981 /nfs/dbraw/zinc/88/79/81/898887981.db2.gz MCCWBBQXPBETLK-UHFFFAOYSA-N 0 0 400.504 4.445 20 30 HIEDRN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000483249001 898891297 /nfs/dbraw/zinc/89/12/97/898891297.db2.gz SRFQLFGMXXMLDT-FQEVSTJZSA-N 0 0 414.509 4.373 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](CO)c2c(Cl)cccc2Cl)c1C ZINC000483251179 898893267 /nfs/dbraw/zinc/89/32/67/898893267.db2.gz QVSHPFDPBFRZSR-SFHVURJKSA-N 0 0 420.340 4.180 20 30 HIEDRN N#Cc1ccc(-c2nnc(CN[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)o2)cc1 ZINC000483256369 898897186 /nfs/dbraw/zinc/89/71/86/898897186.db2.gz DDGNNQWOWMWATO-INIZCTEOSA-N 0 0 422.794 4.104 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000483282770 898918770 /nfs/dbraw/zinc/91/87/70/898918770.db2.gz BUFKSXKAENPTHW-INIZCTEOSA-N 0 0 423.460 4.270 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000483285434 898921551 /nfs/dbraw/zinc/92/15/51/898921551.db2.gz JXWOSWYQNNIRDM-RTBURBONSA-N 0 0 419.859 4.118 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000483285433 898921614 /nfs/dbraw/zinc/92/16/14/898921614.db2.gz JXWOSWYQNNIRDM-RBUKOAKNSA-N 0 0 419.859 4.118 20 30 HIEDRN C=C(C)[C@H](NC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc(F)c(F)c1 ZINC000483312292 898940576 /nfs/dbraw/zinc/94/05/76/898940576.db2.gz HNSBSZJDNHVSDI-GBESFXJTSA-N 0 0 410.411 4.119 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@](O)(C(F)(F)F)C3)cc2)c1 ZINC000483319527 898946488 /nfs/dbraw/zinc/94/64/88/898946488.db2.gz FZUZFSWAZWQNPA-LJQANCHMSA-N 0 0 405.376 4.272 20 30 HIEDRN C[C@@H](CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[S@](C)=O 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VEFPLBKQAMBAGY-UHFFFAOYSA-N 0 0 412.538 4.240 20 30 HIEDRN Cc1nc2cc(C(=O)[C@@H](C#N)c3nc(=O)c4c5c(sc4[nH]3)CCCC5)ccc2o1 ZINC000483437164 899071743 /nfs/dbraw/zinc/07/17/43/899071743.db2.gz HDPRCQDWNNKZMN-CYBMUJFWSA-N 0 0 404.451 4.215 20 30 HIEDRN C[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1Br)c1ccc(C#N)cc1 ZINC000483443208 899077581 /nfs/dbraw/zinc/07/75/81/899077581.db2.gz RKGUSTYLNPMBMA-UONOGXRCSA-N 0 0 402.292 4.148 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000483447984 899084281 /nfs/dbraw/zinc/08/42/81/899084281.db2.gz LIUVOIDILZMJSS-LJQANCHMSA-N 0 0 420.513 4.019 20 30 HIEDRN CCS[C@H]1CCC[C@@H]1NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000483467479 899108767 /nfs/dbraw/zinc/10/87/67/899108767.db2.gz YWTSVIHYECISEG-GJZGRUSLSA-N 0 0 419.601 4.498 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000483469571 899111991 /nfs/dbraw/zinc/11/19/91/899111991.db2.gz ZYCSZUAGMTVVAH-MRXNPFEDSA-N 0 0 407.539 4.470 20 30 HIEDRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000483474722 899119874 /nfs/dbraw/zinc/11/98/74/899119874.db2.gz XNXGVSVUFNCDLG-HSZRJFAPSA-N 0 0 414.461 4.255 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000483481758 899127324 /nfs/dbraw/zinc/12/73/24/899127324.db2.gz IWAZWYLNSMPILC-JOCHJYFZSA-N 0 0 421.497 4.461 20 30 HIEDRN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CC[C@H](COC(F)F)C1 ZINC000483484443 899135090 /nfs/dbraw/zinc/13/50/90/899135090.db2.gz CEJZACNCLAXTGO-VIFPVBQESA-N 0 0 418.309 4.442 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000483522854 899183903 /nfs/dbraw/zinc/18/39/03/899183903.db2.gz ANKQUYNSQZLZOV-UHFFFAOYSA-N 0 0 423.450 4.275 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000483530491 899192375 /nfs/dbraw/zinc/19/23/75/899192375.db2.gz KNSQQXKQJPBWER-GGFYYBSYSA-N 0 0 409.511 4.082 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000483533594 899196140 /nfs/dbraw/zinc/19/61/40/899196140.db2.gz PVIVQELMDUQBNT-KGLIPLIRSA-N 0 0 405.907 4.251 20 30 HIEDRN CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000483534962 899198263 /nfs/dbraw/zinc/19/82/63/899198263.db2.gz UMCNEPACYUHPRE-AWEZNQCLSA-N 0 0 405.907 4.080 20 30 HIEDRN Cc1coc(-c2ccc(C)c(NC(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)c2)n1 ZINC000483546989 899208412 /nfs/dbraw/zinc/20/84/12/899208412.db2.gz HVWQLPUAWSWJEF-OAHLLOKOSA-N 0 0 424.482 4.288 20 30 HIEDRN CC[C@@H](C)[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C(F)(F)F ZINC000483554486 899213764 /nfs/dbraw/zinc/21/37/64/899213764.db2.gz YTEYTRISUFLMBU-PXAZEXFGSA-N 0 0 401.404 4.227 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cnn(C(CC)CC)c1CC ZINC000483562752 899220158 /nfs/dbraw/zinc/22/01/58/899220158.db2.gz DCNXPYOQWLMRFE-UHFFFAOYSA-N 0 0 400.498 4.099 20 30 HIEDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000483567559 899222472 /nfs/dbraw/zinc/22/24/72/899222472.db2.gz YMRUJKMJCNZAFU-LSDHHAIUSA-N 0 0 411.483 4.343 20 30 HIEDRN C=C(C)[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1ccc(F)c(F)c1 ZINC000483594900 899245836 /nfs/dbraw/zinc/24/58/36/899245836.db2.gz UZDFQTZQDGQCEI-BFUOFWGJSA-N 0 0 419.453 4.089 20 30 HIEDRN Cc1cc(C)cc(C2=CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)c1 ZINC000483595429 899247253 /nfs/dbraw/zinc/24/72/53/899247253.db2.gz VIULIBNIQSFKOP-GOSISDBHSA-N 0 0 423.538 4.310 20 30 HIEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC3(CCCCC3)CC2)cc1 ZINC000483618578 899269719 /nfs/dbraw/zinc/26/97/19/899269719.db2.gz IBFKLYCBTPYWLE-KRWDZBQOSA-N 0 0 403.548 4.341 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCN(c4ccccc4C#N)CC3)c2)cc1 ZINC000483631948 899285446 /nfs/dbraw/zinc/28/54/46/899285446.db2.gz FYTIDYAEDXIRQP-UHFFFAOYSA-N 0 0 408.461 4.185 20 30 HIEDRN N#Cc1ccnc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)c1 ZINC000483634934 899288334 /nfs/dbraw/zinc/28/83/34/899288334.db2.gz QPXDTMWKQCXZLX-FQEVSTJZSA-N 0 0 422.941 4.198 20 30 HIEDRN C[C@@]1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCCC[C@H]1O ZINC000483644295 899299668 /nfs/dbraw/zinc/29/96/68/899299668.db2.gz AHEHMPWCQLPOBH-GGAORHGYSA-N 0 0 411.477 4.339 20 30 HIEDRN CC(C)(C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1cc(F)cc(C#N)c1 ZINC000505635473 914336459 /nfs/dbraw/zinc/33/64/59/914336459.db2.gz NSHQGIPGYIOLFR-UHFFFAOYSA-N 0 0 408.458 4.322 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)n1ccc2ccccc2c1=O ZINC000483679861 899338989 /nfs/dbraw/zinc/33/89/89/899338989.db2.gz HJXLRLJHDQPWFQ-ZDUSSCGKSA-N 0 0 415.371 4.014 20 30 HIEDRN CS(=O)(=O)Cc1ccccc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000483695257 899352490 /nfs/dbraw/zinc/35/24/90/899352490.db2.gz FVVUEZGFJVRCPV-UHFFFAOYSA-N 0 0 406.463 4.147 20 30 HIEDRN Cc1cc(=O)c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1C1CC1 ZINC000483725330 899385433 /nfs/dbraw/zinc/38/54/33/899385433.db2.gz SZQNSAOHWYMULZ-UHFFFAOYSA-N 0 0 413.477 4.389 20 30 HIEDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000505656363 914354060 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HIEDRN Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)nn1CCC#N ZINC000538432745 938618773 /nfs/dbraw/zinc/61/87/73/938618773.db2.gz QYHNBZMVNQJGGF-UHFFFAOYSA-N 0 0 401.186 4.139 20 30 HIEDRN COC(=O)c1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1C ZINC000538437454 938620534 /nfs/dbraw/zinc/62/05/34/938620534.db2.gz CDWBXFRLTFNYDQ-UHFFFAOYSA-N 0 0 418.453 4.101 20 30 HIEDRN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3coc(-c4ccccc4Cl)n3)n2)c1 ZINC000538463036 938628015 /nfs/dbraw/zinc/62/80/15/938628015.db2.gz ACWJYFQXTHAPDZ-UHFFFAOYSA-N 0 0 403.829 4.187 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000538484535 938632509 /nfs/dbraw/zinc/63/25/09/938632509.db2.gz JRXMVRAYDOLULE-LPHOPBHVSA-N 0 0 417.509 4.312 20 30 HIEDRN CN(C(=O)CNc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538517933 938639638 /nfs/dbraw/zinc/63/96/38/938639638.db2.gz CQNWVVJHLJZDHP-MSOLQXFVSA-N 0 0 402.420 4.179 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538521516 938640597 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HIEDRN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3cc(C(C)(C)C)sc3C#N)C2=O)c1 ZINC000539175144 938815686 /nfs/dbraw/zinc/81/56/86/938815686.db2.gz YMSLFVPPKJERTN-HNNXBMFYSA-N 0 0 424.526 4.069 20 30 HIEDRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cc(C(C)(C)C)sc3C#N)C2=O)c1 ZINC000539175146 938815784 /nfs/dbraw/zinc/81/57/84/938815784.db2.gz YMSLFVPPKJERTN-OAHLLOKOSA-N 0 0 424.526 4.069 20 30 HIEDRN C[C@@H](NC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000539179221 938816527 /nfs/dbraw/zinc/81/65/27/938816527.db2.gz WBXFOSHQAUUAID-GOSISDBHSA-N 0 0 422.492 4.366 20 30 HIEDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000539184047 938817094 /nfs/dbraw/zinc/81/70/94/938817094.db2.gz UKDYTVSQFHOEPW-ACJLOTCBSA-N 0 0 402.292 4.413 20 30 HIEDRN CCCOc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000539185788 938817302 /nfs/dbraw/zinc/81/73/02/938817302.db2.gz RGYLCTIUSAKJKZ-UHFFFAOYSA-N 0 0 413.477 4.269 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000539210932 938819671 /nfs/dbraw/zinc/81/96/71/938819671.db2.gz OOCPZAUOBGLKMD-LJQANCHMSA-N 0 0 417.431 4.478 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000539265665 938829850 /nfs/dbraw/zinc/82/98/50/938829850.db2.gz JADXUZCXEFPXNI-OSPHWJPCSA-N 0 0 421.566 4.287 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000539309720 938838488 /nfs/dbraw/zinc/83/84/88/938838488.db2.gz XNGSIOUBUISGBK-NSHDSACASA-N 0 0 408.336 4.290 20 30 HIEDRN N#C[C@H]1CSCCN1C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC000539330758 938842834 /nfs/dbraw/zinc/84/28/34/938842834.db2.gz HVXZWYOUGPFEHE-INIZCTEOSA-N 0 0 417.328 4.109 20 30 HIEDRN CC(C)c1cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc(=O)[nH]1 ZINC000539337508 938844312 /nfs/dbraw/zinc/84/43/12/938844312.db2.gz ARHZSMCBRBKJQD-UHFFFAOYSA-N 0 0 411.512 4.178 20 30 HIEDRN COc1ccc2c(c1)c(C(=O)N1CCSC[C@@H]1C#N)c(C)n2Cc1ccccc1 ZINC000539347951 938846388 /nfs/dbraw/zinc/84/63/88/938846388.db2.gz COOMIZYJPBDMCP-SFHVURJKSA-N 0 0 405.523 4.088 20 30 HIEDRN N#C[C@@H]1CSCCN1C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000539350441 938846650 /nfs/dbraw/zinc/84/66/50/938846650.db2.gz APJPNWAANOZOHR-HXUWFJFHSA-N 0 0 422.941 4.203 20 30 HIEDRN C=CCOc1cccnc1C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000539356731 938847658 /nfs/dbraw/zinc/84/76/58/938847658.db2.gz KHKBIMJVNOVAHX-CALCHBBNSA-N 0 0 407.514 4.325 20 30 HIEDRN Cc1oc(NC(=O)CN[C@H](COCc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000539361424 938848352 /nfs/dbraw/zinc/84/83/52/938848352.db2.gz VRMLRLCFEAZADZ-JOCHJYFZSA-N 0 0 403.482 4.254 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000539390258 938853097 /nfs/dbraw/zinc/85/30/97/938853097.db2.gz MLUKNBMXWAKPAW-IERDGZPVSA-N 0 0 418.534 4.363 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000539391920 938853302 /nfs/dbraw/zinc/85/33/02/938853302.db2.gz QACYNDWEISWQHM-DYESRHJHSA-N 0 0 400.544 4.224 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000539391923 938853320 /nfs/dbraw/zinc/85/33/20/938853320.db2.gz QACYNDWEISWQHM-LAUBAEHRSA-N 0 0 400.544 4.224 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2COc3ccccc3C2=O)cc1Cl ZINC000539410873 938856751 /nfs/dbraw/zinc/85/67/51/938856751.db2.gz ABENVTIPPDCEIH-SFHVURJKSA-N 0 0 418.836 4.378 20 30 HIEDRN C=CCN(C(=O)Nc1cc(SC)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539421532 938858258 /nfs/dbraw/zinc/85/82/58/938858258.db2.gz DWVXAUSXPNFUCU-INIZCTEOSA-N 0 0 408.531 4.474 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000539430735 938859696 /nfs/dbraw/zinc/85/96/96/938859696.db2.gz PDBGYASCPMQUAA-QAPCUYQASA-N 0 0 411.468 4.413 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000539442656 938861195 /nfs/dbraw/zinc/86/11/95/938861195.db2.gz ZXPOERPLYQNUHC-IRLDBZIGSA-N 0 0 400.425 4.032 20 30 HIEDRN N#Cc1ccc(OCC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC000539449040 938862367 /nfs/dbraw/zinc/86/23/67/938862367.db2.gz BENNFRWPMXVTBQ-MRXNPFEDSA-N 0 0 402.294 4.376 20 30 HIEDRN Cc1sc2ncc(C(=O)[C@@H](C#N)c3nc4cc(Cl)ccc4s3)c(=O)n2c1C ZINC000539466402 938864641 /nfs/dbraw/zinc/86/46/41/938864641.db2.gz KQOYKUOAVJBUEU-LLVKDONJSA-N 0 0 414.899 4.126 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1Br ZINC000539468149 938864939 /nfs/dbraw/zinc/86/49/39/938864939.db2.gz VCLZFQJGYUUZJR-JTQLQIEISA-N 0 0 418.129 4.011 20 30 HIEDRN CCn1c(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)nc2cc(C#N)ccc21 ZINC000539519128 938872609 /nfs/dbraw/zinc/87/26/09/938872609.db2.gz UADVOSWGWKPPBM-UHFFFAOYSA-N 0 0 422.338 4.383 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)c2)cc1 ZINC000539578230 938882679 /nfs/dbraw/zinc/88/26/79/938882679.db2.gz GNUYHSRVEGLYSX-VWLOTQADSA-N 0 0 412.489 4.221 20 30 HIEDRN Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(c3cccc(F)c3C#N)C2)cn1 ZINC000563548568 945212182 /nfs/dbraw/zinc/21/21/82/945212182.db2.gz GWSZPRPAURKPLI-UHFFFAOYSA-N 0 0 415.516 4.332 20 30 HIEDRN 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20 30 HIEDRN CCn1cc(Br)cc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542069466 939702533 /nfs/dbraw/zinc/70/25/33/939702533.db2.gz JSOBOFRCJUZODJ-UHFFFAOYSA-N 0 0 418.682 4.234 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000542091137 939707472 /nfs/dbraw/zinc/70/74/72/939707472.db2.gz ZCOVDOKMJPLPEE-QRTARXTBSA-N 0 0 421.335 4.135 20 30 HIEDRN CCN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542096455 939711885 /nfs/dbraw/zinc/71/18/85/939711885.db2.gz VSZYSZQLNVEESS-UGSOOPFHSA-N 0 0 420.328 4.226 20 30 HIEDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000563727157 945267043 /nfs/dbraw/zinc/26/70/43/945267043.db2.gz ZZCBIARWRZPLLH-OCCSQVGLSA-N 0 0 423.307 4.027 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)CC2CCC(C(F)(F)F)CC2)cc(OC)c1OC ZINC000542147262 939730438 /nfs/dbraw/zinc/73/04/38/939730438.db2.gz PPRZVLBOYAQJAU-PESDSKBTSA-N 0 0 414.424 4.152 20 30 HIEDRN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCOC1 ZINC000542155333 939734561 /nfs/dbraw/zinc/73/45/61/939734561.db2.gz ZLJLPHIDJWVKKA-CPCISQLKSA-N 0 0 409.248 4.480 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000542188841 939749935 /nfs/dbraw/zinc/74/99/35/939749935.db2.gz VCNCBKHDLGWNKV-LBPRGKRZSA-N 0 0 408.285 4.329 20 30 HIEDRN COc1cc(C#N)cc(Cl)c1OC[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542189989 939750405 /nfs/dbraw/zinc/75/04/05/939750405.db2.gz BGWLRZYTAZJCLK-LBPRGKRZSA-N 0 0 401.768 4.058 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000542189505 939750416 /nfs/dbraw/zinc/75/04/16/939750416.db2.gz YHJMUSUGPKPCGW-MSOLQXFVSA-N 0 0 417.509 4.414 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000542223923 939763722 /nfs/dbraw/zinc/76/37/22/939763722.db2.gz ZYRDOBQYBUFVEH-UHFFFAOYSA-N 0 0 415.375 4.455 20 30 HIEDRN O=C(NCCc1ccc(F)c(F)c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000542244205 939771489 /nfs/dbraw/zinc/77/14/89/939771489.db2.gz ODGMKZUCIYYWNR-UHFFFAOYSA-N 0 0 408.264 4.173 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@@H](c3ccc(C)cc3)C2)c1C#N ZINC000542319463 939798600 /nfs/dbraw/zinc/79/86/00/939798600.db2.gz OGOZJRJUTGSPLB-OAQYLSRUSA-N 0 0 416.525 4.354 20 30 HIEDRN C[C@]1(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO[C@@H]1C1CC1 ZINC000542349883 939804973 /nfs/dbraw/zinc/80/49/73/939804973.db2.gz ONUGJRJKFKKRED-VWNXMTODSA-N 0 0 405.498 4.411 20 30 HIEDRN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2noc(C)c2C#N)c1 ZINC000542378155 939810674 /nfs/dbraw/zinc/81/06/74/939810674.db2.gz MDOYCRYIVJXQHT-YKSBVNFPSA-N 0 0 401.466 4.163 20 30 HIEDRN COCC[C@H](Cc1ccco1)NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000542408458 939816595 /nfs/dbraw/zinc/81/65/95/939816595.db2.gz NJZSBWSVGWZWAH-OAQYLSRUSA-N 0 0 403.482 4.265 20 30 HIEDRN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)C3CC3)C2)c1 ZINC000542408698 939816647 /nfs/dbraw/zinc/81/66/47/939816647.db2.gz OUWGKPQFWDABIU-NRFANRHFSA-N 0 0 416.525 4.302 20 30 HIEDRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)CCCOc2ccc(C#N)cc2OC)c1 ZINC000542440203 939823470 /nfs/dbraw/zinc/82/34/70/939823470.db2.gz KVICRKDBZYTKTE-UWJYYQICSA-N 0 0 408.498 4.344 20 30 HIEDRN C[C@@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc(C#N)cc1 ZINC000542546285 939841805 /nfs/dbraw/zinc/84/18/05/939841805.db2.gz ZWZWKVNJHWFEJU-GFCCVEGCSA-N 0 0 402.267 4.289 20 30 HIEDRN C[C@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc(C#N)cc1 ZINC000542546286 939841848 /nfs/dbraw/zinc/84/18/48/939841848.db2.gz ZWZWKVNJHWFEJU-LBPRGKRZSA-N 0 0 402.267 4.289 20 30 HIEDRN CN(C)c1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c2ccccc2n1 ZINC000542572699 939845286 /nfs/dbraw/zinc/84/52/86/939845286.db2.gz BRIYVTMFYOJYAJ-SFHVURJKSA-N 0 0 409.287 4.058 20 30 HIEDRN Cc1nccc(NCc2cccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)n1 ZINC000542655895 939851885 /nfs/dbraw/zinc/85/18/85/939851885.db2.gz BVFACUOUSYAKFL-DHIUTWEWSA-N 0 0 411.509 4.309 20 30 HIEDRN C=CCn1c(SC[C@@H](O)CCc2ccccc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000542732061 939857617 /nfs/dbraw/zinc/85/76/17/939857617.db2.gz YAJLHMCWAAAEPU-RXVVDRJESA-N 0 0 423.538 4.062 20 30 HIEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000542807561 939861083 /nfs/dbraw/zinc/86/10/83/939861083.db2.gz RBYXWFYYUOTJCN-UHFFFAOYSA-N 0 0 416.529 4.135 20 30 HIEDRN C[C@H](OCCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccccc1 ZINC000542838878 939862086 /nfs/dbraw/zinc/86/20/86/939862086.db2.gz KGWZHOQKKUOCFX-INIZCTEOSA-N 0 0 407.449 4.172 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1Sc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000542863735 939863954 /nfs/dbraw/zinc/86/39/54/939863954.db2.gz DGFUJNFVOIHRCV-UHFFFAOYSA-N 0 0 415.450 4.253 20 30 HIEDRN COc1ccc([C@H](NC(=O)NC[C@@H](C)C#N)c2ccccc2)cc1Br ZINC000542876547 939864723 /nfs/dbraw/zinc/86/47/23/939864723.db2.gz CBPQLTPQKAPTEW-SCLBCKFNSA-N 0 0 402.292 4.006 20 30 HIEDRN N#CCC1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000542893026 939874599 /nfs/dbraw/zinc/87/45/99/939874599.db2.gz DKRKCMSIIMBXMY-UHFFFAOYSA-N 0 0 409.452 4.089 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542929551 939880272 /nfs/dbraw/zinc/88/02/72/939880272.db2.gz CNTLWZHSNRLWAJ-MRXNPFEDSA-N 0 0 404.491 4.120 20 30 HIEDRN CCc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cnn1-c1ccc(C)cc1 ZINC000542930503 939880558 /nfs/dbraw/zinc/88/05/58/939880558.db2.gz QXUDWKGNNZOZLR-UHFFFAOYSA-N 0 0 414.444 4.192 20 30 HIEDRN CC(=O)N1CCC(CCC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000542930847 939880689 /nfs/dbraw/zinc/88/06/89/939880689.db2.gz VQWCNQUXVALCIA-GOSISDBHSA-N 0 0 403.526 4.441 20 30 HIEDRN C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542932086 939880743 /nfs/dbraw/zinc/88/07/43/939880743.db2.gz LTXKNPFESQAJHU-QGZVFWFLSA-N 0 0 418.518 4.261 20 30 HIEDRN C[C@@H](NC(=O)CNc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1Cl ZINC000542938287 939882057 /nfs/dbraw/zinc/88/20/57/939882057.db2.gz NXHFMYZBZPAJLJ-CYBMUJFWSA-N 0 0 414.296 4.340 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2cccc(Br)c2)n1 ZINC000542942998 939882919 /nfs/dbraw/zinc/88/29/19/939882919.db2.gz DISJRZWJWALGPY-UHFFFAOYSA-N 0 0 415.678 4.341 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)n1 ZINC000542942815 939882939 /nfs/dbraw/zinc/88/29/39/939882939.db2.gz BUQFWFOQYXXCFD-UHFFFAOYSA-N 0 0 424.873 4.080 20 30 HIEDRN Cc1nc2ccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cc2nc1C ZINC000542945689 939883668 /nfs/dbraw/zinc/88/36/68/939883668.db2.gz UPQGDDNFJCEQSB-UHFFFAOYSA-N 0 0 402.845 4.210 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)Nc3ccc(O[C@@H]4CCOC4)cc3)n2)c(Cl)c1 ZINC000542955679 939885450 /nfs/dbraw/zinc/88/54/50/939885450.db2.gz KMHLIJGWTFRSKK-QGZVFWFLSA-N 0 0 423.860 4.209 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3Cl)n2)c(F)c1 ZINC000542958811 939885863 /nfs/dbraw/zinc/88/58/63/939885863.db2.gz ILEXVPQAEUQNPK-LRDDRELGSA-N 0 0 413.815 4.353 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCc3cccc(-c4ccccn4)c3)n2)c(F)c1 ZINC000542961455 939886575 /nfs/dbraw/zinc/88/65/75/939886575.db2.gz KKRALIILJUIRQA-UHFFFAOYSA-N 0 0 412.428 4.267 20 30 HIEDRN CC1(C)C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c2ccc(F)cc2O1 ZINC000542961444 939886706 /nfs/dbraw/zinc/88/67/06/939886706.db2.gz KJTTXYYIHZQVFB-QGZVFWFLSA-N 0 0 423.423 4.446 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N(CCc3ccc(F)cc3)C3CC3)n2)c(F)c1 ZINC000542963259 939887034 /nfs/dbraw/zinc/88/70/34/939887034.db2.gz ZVOFOLBWIKOVSJ-UHFFFAOYSA-N 0 0 407.424 4.261 20 30 HIEDRN C=CCc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(OC)c1OC ZINC000542968084 939888064 /nfs/dbraw/zinc/88/80/64/939888064.db2.gz URFWUCXGMWIBBV-UHFFFAOYSA-N 0 0 422.872 4.395 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)n2)c(Cl)c1 ZINC000542971715 939888698 /nfs/dbraw/zinc/88/86/98/939888698.db2.gz FEYFJGMZXKIQKQ-UHFFFAOYSA-N 0 0 418.844 4.019 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2(c3ccccc3)CCOCC2)n1 ZINC000542980101 939890791 /nfs/dbraw/zinc/89/07/91/939890791.db2.gz OMHPGDIVOCHLTJ-UHFFFAOYSA-N 0 0 406.873 4.084 20 30 HIEDRN C[C@H](NC(=O)CSc1nnc2ccccn21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542989419 939892257 /nfs/dbraw/zinc/89/22/57/939892257.db2.gz PUANAFRZEIOBBF-INIZCTEOSA-N 0 0 413.506 4.237 20 30 HIEDRN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542990732 939892370 /nfs/dbraw/zinc/89/23/70/939892370.db2.gz YDDXGRKVNQHOSZ-ZWKOTPCHSA-N 0 0 400.478 4.362 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000563748710 945279924 /nfs/dbraw/zinc/27/99/24/945279924.db2.gz QHEFGKNBNIOOJA-JPYJTQIMSA-N 0 0 403.526 4.125 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CS(=O)(=O)Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000543028985 939898341 /nfs/dbraw/zinc/89/83/41/939898341.db2.gz DKUDMSMZRXNVED-UHFFFAOYSA-N 0 0 418.522 4.144 20 30 HIEDRN C[C@@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029217 939898737 /nfs/dbraw/zinc/89/87/37/939898737.db2.gz AXFVRZNXCVIDKS-OAHLLOKOSA-N 0 0 419.431 4.111 20 30 HIEDRN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Sc1cccc(Cl)c1C#N ZINC000543032302 939899135 /nfs/dbraw/zinc/89/91/35/939899135.db2.gz 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C=CCOc1ccc(CNC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000558109676 943382013 /nfs/dbraw/zinc/38/20/13/943382013.db2.gz CQNLBIYVCDADMM-MRXNPFEDSA-N 0 0 422.451 4.093 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000558109930 943382695 /nfs/dbraw/zinc/38/26/95/943382695.db2.gz GQUOZXAOUKMGIZ-MRXNPFEDSA-N 0 0 408.424 4.013 20 30 HIEDRN COC(=O)[C@H](NCc1ccc(OCc2cccc(C#N)c2)c(OC)c1)c1ccccc1 ZINC000558137812 943393336 /nfs/dbraw/zinc/39/33/36/943393336.db2.gz GPBQKVHDGOXQGY-XMMPIXPASA-N 0 0 416.477 4.150 20 30 HIEDRN N#Cc1ccc(CCC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000558165936 943405687 /nfs/dbraw/zinc/40/56/87/943405687.db2.gz AWWQVVASCSPQFJ-UHFFFAOYSA-N 0 0 402.523 4.416 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](NCc2ccc(C#N)s2)c2ccc(F)cc2F)c1 ZINC000558181045 943413429 /nfs/dbraw/zinc/41/34/29/943413429.db2.gz GNUYHGICHGEWEC-FQEVSTJZSA-N 0 0 418.490 4.181 20 30 HIEDRN Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)nc21 ZINC000558195255 943427015 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CCOc1cc(Cl)ccc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000561305006 944544455 /nfs/dbraw/zinc/54/44/55/944544455.db2.gz OSMYMFRZJGUJHX-UHFFFAOYSA-N 0 0 402.853 4.433 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561310901 944546516 /nfs/dbraw/zinc/54/65/16/944546516.db2.gz QWRPRFMMFKGVAP-UHFFFAOYSA-N 0 0 407.905 4.370 20 30 HIEDRN Cn1c2ccccc2cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1=O ZINC000561369772 944563524 /nfs/dbraw/zinc/56/35/24/944563524.db2.gz VSKXEVIMBVBIKD-UHFFFAOYSA-N 0 0 409.445 4.132 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C ZINC000561396400 944578525 /nfs/dbraw/zinc/57/85/25/944578525.db2.gz JKMZDWJGGHTVKM-HNNXBMFYSA-N 0 0 411.437 4.195 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3cc4ccccc4[nH]3)cc2)c1 ZINC000561420568 944588608 /nfs/dbraw/zinc/58/86/08/944588608.db2.gz HXBNDAMZFZOZRV-UHFFFAOYSA-N 0 0 410.433 4.087 20 30 HIEDRN CCN(CCc1cccs1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000561420570 944589933 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/nfs/dbraw/zinc/73/30/67/944733067.db2.gz MPAXQHHTBOJCME-QFIPXVFZSA-N 0 0 424.545 4.422 20 30 HIEDRN N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)CC2)c1 ZINC000561706106 944755488 /nfs/dbraw/zinc/75/54/88/944755488.db2.gz HAVVSXPIOZUEPT-UHFFFAOYSA-N 0 0 412.486 4.084 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3c(F)cc(Br)cc3F)C2)c(F)c1 ZINC000561756801 944782205 /nfs/dbraw/zinc/78/22/05/944782205.db2.gz UBTRYIKKLVZLGT-NSHDSACASA-N 0 0 424.220 4.203 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000561799207 944801342 /nfs/dbraw/zinc/80/13/42/944801342.db2.gz KWHQFJTZHQEHEI-NRFANRHFSA-N 0 0 423.513 4.187 20 30 HIEDRN Cc1cc([C@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C2CC2)ccc1F ZINC000561806014 944805052 /nfs/dbraw/zinc/80/50/52/944805052.db2.gz DLCMKVLBEZJURA-JOCHJYFZSA-N 0 0 407.489 4.010 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1Br ZINC000561817675 944810943 /nfs/dbraw/zinc/81/09/43/944810943.db2.gz ZFHGMIKCYOYHIV-IBGZPJMESA-N 0 0 412.287 4.013 20 30 HIEDRN N#Cc1ccc(N2CCC(c3nc(CCn4cnc5ccccc54)no3)CC2)c(F)c1 ZINC000561852662 944822499 /nfs/dbraw/zinc/82/24/99/944822499.db2.gz ITTHULWNTPRUHB-UHFFFAOYSA-N 0 0 416.460 4.057 20 30 HIEDRN CCc1ccc([C@H](C#N)NC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)cc1 ZINC000561864003 944826593 /nfs/dbraw/zinc/82/65/93/944826593.db2.gz VNZMBUAVOVOVMK-FQEVSTJZSA-N 0 0 419.554 4.228 20 30 HIEDRN C=CCn1c(SCC(=O)NCC(C)(C)CCC#N)nnc1-c1ccc(Cl)cc1 ZINC000561867406 944827728 /nfs/dbraw/zinc/82/77/28/944827728.db2.gz VLNASWGCTACSSD-UHFFFAOYSA-N 0 0 417.966 4.323 20 30 HIEDRN N#Cc1cc(Br)ccc1CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000561884320 944836386 /nfs/dbraw/zinc/83/63/86/944836386.db2.gz YZFHMVACPPKRIJ-UHFFFAOYSA-N 0 0 408.303 4.066 20 30 HIEDRN CCN1CCN(c2ccc(-c3noc(C[C@H](CC#N)c4ccccc4)n3)cc2F)CC1 ZINC000561886238 944837773 /nfs/dbraw/zinc/83/77/73/944837773.db2.gz XJZFLAWYVBDHJF-IBGZPJMESA-N 0 0 419.504 4.258 20 30 HIEDRN Cn1ccnc1Sc1ncc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1Cl ZINC000561920070 944856857 /nfs/dbraw/zinc/85/68/57/944856857.db2.gz KIPFNABWEVJMJY-UHFFFAOYSA-N 0 0 415.881 4.319 20 30 HIEDRN COc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(C)c1OC ZINC000561962131 944876528 /nfs/dbraw/zinc/87/65/28/944876528.db2.gz VSDBGQRHEGXVCY-CQSZACIVSA-N 0 0 423.494 4.091 20 30 HIEDRN CC(C)(C#N)CCS(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000562017415 944896397 /nfs/dbraw/zinc/89/63/97/944896397.db2.gz CGGALRMDVUMXQH-KRWDZBQOSA-N 0 0 418.481 4.032 20 30 HIEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000562025308 944900344 /nfs/dbraw/zinc/90/03/44/944900344.db2.gz YGJRZOKOGRXZNP-MRXNPFEDSA-N 0 0 402.926 4.135 20 30 HIEDRN O=C(Nc1cc(F)cc(F)c1F)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000562030029 944902358 /nfs/dbraw/zinc/90/23/58/944902358.db2.gz MHPYYKSQIHYZRG-UHFFFAOYSA-N 0 0 404.245 4.095 20 30 HIEDRN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC000562029066 944902783 /nfs/dbraw/zinc/90/27/83/944902783.db2.gz DDAFJQAENMNAAG-CYBMUJFWSA-N 0 0 416.323 4.135 20 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C=CCC[C@H](NC(=O)C(=O)N(C)Cc1cc(Br)cs1)c1ccccc1 ZINC000572033956 947830558 /nfs/dbraw/zinc/83/05/58/947830558.db2.gz RYMDATWUQYFBFS-KRWDZBQOSA-N 0 0 421.360 4.293 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000572050808 947833192 /nfs/dbraw/zinc/83/31/92/947833192.db2.gz RHBXEDPQWJYIOV-GOSISDBHSA-N 0 0 402.825 4.184 20 30 HIEDRN N#Cc1ccc(C2(C(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000572142324 947849548 /nfs/dbraw/zinc/84/95/48/947849548.db2.gz FVPZSDDUYVBJOK-UHFFFAOYSA-N 0 0 402.281 4.042 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1ccccc1 ZINC000572152826 947851531 /nfs/dbraw/zinc/85/15/31/947851531.db2.gz RTAFEAXZFJAQBH-CTNGQTDRSA-N 0 0 412.555 4.079 20 30 HIEDRN C=CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000572168283 947854931 /nfs/dbraw/zinc/85/49/31/947854931.db2.gz PAJBSOQLYHOXKB-UHFFFAOYSA-N 0 0 413.525 4.436 20 30 HIEDRN COc1cc(C(=O)N(Cc2ccccc2)c2ccccc2C#N)cc([N+](=O)[O-])c1OC ZINC000572174475 947856533 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Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000573367493 948168878 /nfs/dbraw/zinc/16/88/78/948168878.db2.gz BUVBZNUGYDVVDK-SFHVURJKSA-N 0 0 405.477 4.179 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CC=C(c4c(F)cccc4F)CC3)C2)c(F)c1 ZINC000573431570 948204391 /nfs/dbraw/zinc/20/43/91/948204391.db2.gz FYAWJAVIDAZGBM-KRWDZBQOSA-N 0 0 411.427 4.118 20 30 HIEDRN C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1csc(CC)n1 ZINC000573460773 948206897 /nfs/dbraw/zinc/20/68/97/948206897.db2.gz YDRFDSUMAMZYJD-CQSZACIVSA-N 0 0 401.511 4.399 20 30 HIEDRN C[C@@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000573520311 948228764 /nfs/dbraw/zinc/22/87/64/948228764.db2.gz OKRXHAZGDHOEIY-OAHLLOKOSA-N 0 0 403.429 4.079 20 30 HIEDRN C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000573534750 948235880 /nfs/dbraw/zinc/23/58/80/948235880.db2.gz YUIKLMIRKBPQOS-OXQOHEQNSA-N 0 0 417.488 4.259 20 30 HIEDRN C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 ZINC000573534751 948236431 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CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000055363295 850006986 /nfs/dbraw/zinc/00/69/86/850006986.db2.gz JBMSTELCHYBACN-JOCHJYFZSA-N 0 0 405.498 4.113 20 30 HIEDRN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000055392555 850013155 /nfs/dbraw/zinc/01/31/55/850013155.db2.gz MNUPHRDQVZIRPI-UHFFFAOYSA-N 0 0 403.438 4.041 20 30 HIEDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000055417839 850018790 /nfs/dbraw/zinc/01/87/90/850018790.db2.gz WLJBBGDRJQXLMP-HSZRJFAPSA-N 0 0 419.525 4.307 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 ZINC000055429488 850022803 /nfs/dbraw/zinc/02/28/03/850022803.db2.gz QZCNMBBHSYBDJV-UHFFFAOYSA-N 0 0 408.417 4.149 20 30 HIEDRN CC(C)C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)N1C(=O)c2ccccc2C1=O ZINC000055569194 850057711 /nfs/dbraw/zinc/05/77/11/850057711.db2.gz MOSDJYBCBLRTAT-NRFANRHFSA-N 0 0 419.481 4.019 20 30 HIEDRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000055569192 850058238 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CSc1nc(C2CC2)cc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1C#N ZINC000060459525 851106881 /nfs/dbraw/zinc/10/68/81/851106881.db2.gz ZUACPTPHENPHQK-UHFFFAOYSA-N 0 0 421.444 4.424 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)cc1Cl ZINC000060510579 851127244 /nfs/dbraw/zinc/12/72/44/851127244.db2.gz RYWJZJORRRDNIG-UHFFFAOYSA-N 0 0 411.914 4.040 20 30 HIEDRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(N)=NOCc1coc(-c2ccc(F)cc2)n1 ZINC000060565009 851149698 /nfs/dbraw/zinc/14/96/98/851149698.db2.gz QRPAQVPYTJFXEA-KRWDZBQOSA-N 0 0 420.485 4.209 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000437028673 862211806 /nfs/dbraw/zinc/21/18/06/862211806.db2.gz ZNDXNYDFWIOEIS-BZUAXINKSA-N 0 0 411.502 4.221 20 30 HIEDRN C=C(C)CN(CC)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000060624878 851170713 /nfs/dbraw/zinc/17/07/13/851170713.db2.gz ARLQFLFWYUXPMU-UHFFFAOYSA-N 0 0 406.935 4.487 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000060677884 851187106 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C=CCc1ccccc1OC[C@H](O)CSc1nc2ccccc2c(=O)n1CCC ZINC000061715880 851424589 /nfs/dbraw/zinc/42/45/89/851424589.db2.gz SUQZQNRRZNKIQH-SFHVURJKSA-N 0 0 410.539 4.067 20 30 HIEDRN C=CCc1ccccc1OC[C@H](O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000061717265 851425374 /nfs/dbraw/zinc/42/53/74/851425374.db2.gz AOIOMKJXCIPUTJ-SFHVURJKSA-N 0 0 405.523 4.451 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(OC)c(Br)c1 ZINC000062903859 851599947 /nfs/dbraw/zinc/59/99/47/851599947.db2.gz RFYGGQYZQAKFEE-UHFFFAOYSA-N 0 0 413.315 4.477 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000062904556 851600034 /nfs/dbraw/zinc/60/00/34/851600034.db2.gz MIMHZWMFHFMAMR-UHFFFAOYSA-N 0 0 419.550 4.101 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000062905683 851600104 /nfs/dbraw/zinc/60/01/04/851600104.db2.gz FCYFGHZENLRFAK-QFIPXVFZSA-N 0 0 416.525 4.325 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000437064932 862262265 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C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000063393262 851676476 /nfs/dbraw/zinc/67/64/76/851676476.db2.gz KGAYSYVNKLRKIJ-UHFFFAOYSA-N 0 0 410.474 4.262 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCSCc1ccccc1F ZINC000063400631 851679138 /nfs/dbraw/zinc/67/91/38/851679138.db2.gz GTLHFRAHCZLFGN-UHFFFAOYSA-N 0 0 403.479 4.365 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000063402666 851680032 /nfs/dbraw/zinc/68/00/32/851680032.db2.gz MIRHRLIGMSMHAY-QGZVFWFLSA-N 0 0 417.513 4.301 20 30 HIEDRN C=CCn1c(=O)c2c3c(sc2nc1SCCCN1CCCC1=O)CCCCC3 ZINC000063413946 851683787 /nfs/dbraw/zinc/68/37/87/851683787.db2.gz SQJNHZDJSPJLMZ-UHFFFAOYSA-N 0 0 417.600 4.018 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1Oc1ccccc1 ZINC000063418489 851684863 /nfs/dbraw/zinc/68/48/63/851684863.db2.gz MRSGZRHNOADWFJ-UHFFFAOYSA-N 0 0 415.449 4.004 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000063423916 851685389 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HIEDRN C[C@@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 ZINC000065037641 852045302 /nfs/dbraw/zinc/04/53/02/852045302.db2.gz IXZZTCNFWIJUJS-CQSZACIVSA-N 0 0 413.403 4.323 20 30 HIEDRN C=CCc1cc(CNC(=O)CCc2ccccc2Br)cc(OC)c1OC ZINC000065063889 852049639 /nfs/dbraw/zinc/04/96/39/852049639.db2.gz NPDGWMBPRPKZMF-UHFFFAOYSA-N 0 0 418.331 4.444 20 30 HIEDRN C=CCc1cc(CNC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cc(OC)c1OC ZINC000065064010 852050214 /nfs/dbraw/zinc/05/02/14/852050214.db2.gz PLMXMTLSFRKHEH-UHFFFAOYSA-N 0 0 419.525 4.419 20 30 HIEDRN C=CCc1cc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OC ZINC000065064413 852050575 /nfs/dbraw/zinc/05/05/75/852050575.db2.gz LJGKYVUOTSGSMI-UHFFFAOYSA-N 0 0 405.498 4.165 20 30 HIEDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000065125166 852073093 /nfs/dbraw/zinc/07/30/93/852073093.db2.gz WRXKQCXLSPWGFF-CABCVRRESA-N 0 0 401.304 4.226 20 30 HIEDRN C=CCc1cc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc(OC)c1OC ZINC000065175276 852083252 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ZINC000409647445 855581560 /nfs/dbraw/zinc/58/15/60/855581560.db2.gz YONFDKUEOPYALM-QGZVFWFLSA-N 0 0 420.900 4.268 20 30 HIEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1ccc(C#N)cc1F)C1CC1 ZINC000437383122 862696382 /nfs/dbraw/zinc/69/63/82/862696382.db2.gz WDJHZKSZOLGSEC-GFCCVEGCSA-N 0 0 419.378 4.407 20 30 HIEDRN COCCNc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000409655262 855585830 /nfs/dbraw/zinc/58/58/30/855585830.db2.gz ZMZVPPQXMXEERQ-UHFFFAOYSA-N 0 0 415.493 4.126 20 30 HIEDRN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409723159 855620383 /nfs/dbraw/zinc/62/03/83/855620383.db2.gz LBGSAGYOSISJOK-HXUWFJFHSA-N 0 0 421.566 4.437 20 30 HIEDRN CN1CCO[C@@H]([C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000409727207 855622708 /nfs/dbraw/zinc/62/27/08/855622708.db2.gz KAROTVFDKIOCFS-SJLPKXTDSA-N 0 0 410.827 4.109 20 30 HIEDRN C[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)S(=O)(=O)c1ccc(F)cc1 ZINC000409739360 855628890 /nfs/dbraw/zinc/62/88/90/855628890.db2.gz 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C=CCN(C(=O)c1ccc(O[C@@H](C)CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000426294347 856227356 /nfs/dbraw/zinc/22/73/56/856227356.db2.gz TYWAXTWHHGMHEP-ZWKOTPCHSA-N 0 0 405.502 4.229 20 30 HIEDRN C=CCc1cc(CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc(OC)c1OC ZINC000426319375 856243207 /nfs/dbraw/zinc/24/32/07/856243207.db2.gz WBTOQHHUSIUXPU-LJQANCHMSA-N 0 0 402.535 4.113 20 30 HIEDRN CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000426327297 856247651 /nfs/dbraw/zinc/24/76/51/856247651.db2.gz RPFQFIDHXAPANX-INIZCTEOSA-N 0 0 406.667 4.056 20 30 HIEDRN Cc1nn(C)c(=O)c(-c2nc(CN(CC(C)C)c3ccc(C#N)cc3)cs2)c1C ZINC000426358175 856258095 /nfs/dbraw/zinc/25/80/95/856258095.db2.gz USYROYFLMRINKM-UHFFFAOYSA-N 0 0 407.543 4.055 20 30 HIEDRN O=C(NC1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000426393676 856273211 /nfs/dbraw/zinc/27/32/11/856273211.db2.gz GWIRBTHZXCPKMJ-UHFFFAOYSA-N 0 0 404.407 4.090 20 30 HIEDRN N#Cc1ncn(CC(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)n1 ZINC000426404954 856276775 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HIEDRN N#Cc1cc(F)ccc1Cn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC000427278309 856748005 /nfs/dbraw/zinc/74/80/05/856748005.db2.gz YAEBDRKCNDBBFM-UHFFFAOYSA-N 0 0 415.268 4.493 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2Cl)cc1F ZINC000427331355 856774800 /nfs/dbraw/zinc/77/48/00/856774800.db2.gz ORJYCDKJZFGRLQ-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](NCc2cccc(F)c2C#N)c2ccc(F)cc2)c1 ZINC000427405923 856808780 /nfs/dbraw/zinc/80/87/80/856808780.db2.gz GRPNHCFKFOXHOY-JOCHJYFZSA-N 0 0 412.461 4.119 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCC[C@@H]32)cc1Cl ZINC000427407448 856808870 /nfs/dbraw/zinc/80/88/70/856808870.db2.gz LRYIVBZOJKPYFT-BSIFCXSSSA-N 0 0 407.901 4.335 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)C2=O)cc1 ZINC000427476410 856836992 /nfs/dbraw/zinc/83/69/92/856836992.db2.gz OANKHGKFEQNOEC-FQEVSTJZSA-N 0 0 418.884 4.132 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1F ZINC000437485522 862843671 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Cn1cc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c2ccccc2c1=O ZINC000428228449 857119343 /nfs/dbraw/zinc/11/93/43/857119343.db2.gz VHFMIWSBDRSZFP-UHFFFAOYSA-N 0 0 423.472 4.436 20 30 HIEDRN CC(=O)N(c1nc(Cn2cc(C#N)c(=O)c3ccccc32)cs1)c1ccccc1F ZINC000428318502 857151177 /nfs/dbraw/zinc/15/11/77/857151177.db2.gz LJMBKIXODMLGIX-UHFFFAOYSA-N 0 0 418.453 4.202 20 30 HIEDRN N#Cc1c(F)cccc1CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000428324611 857153533 /nfs/dbraw/zinc/15/35/33/857153533.db2.gz YDTIJXURSHYIKB-LJQANCHMSA-N 0 0 405.395 4.169 20 30 HIEDRN CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2cccnc2C#N)nc1-c1ccccc1 ZINC000428377300 857182798 /nfs/dbraw/zinc/18/27/98/857182798.db2.gz SCWGUTYKUDISKH-GOSISDBHSA-N 0 0 422.510 4.257 20 30 HIEDRN COC(=O)c1ccoc1COc1cccc2c1N(C(=O)c1cc(C#N)cs1)CCC2 ZINC000437567339 862889891 /nfs/dbraw/zinc/88/98/91/862889891.db2.gz KPAGIUCTTVOWMV-UHFFFAOYSA-N 0 0 422.462 4.171 20 30 HIEDRN CCN(C(=O)c1cc(C#N)cs1)c1ccc(NC(=O)c2cc(C#N)cs2)cc1 ZINC000437571357 862891841 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C[C@@H](C#N)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000432112767 858998557 /nfs/dbraw/zinc/99/85/57/858998557.db2.gz DCUGPXJGJOPWNZ-HNNXBMFYSA-N 0 0 415.884 4.442 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000432196060 859042259 /nfs/dbraw/zinc/04/22/59/859042259.db2.gz MHOFLMJLAUHYIR-VSKRKVRLSA-N 0 0 408.473 4.107 20 30 HIEDRN C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C1=O ZINC000432207968 859047830 /nfs/dbraw/zinc/04/78/30/859047830.db2.gz KZZALHODHPWPPI-VQTJNVASSA-N 0 0 413.399 4.366 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)NCC2(CC#N)CC2)cc1 ZINC000432231247 859058563 /nfs/dbraw/zinc/05/85/63/859058563.db2.gz KIGNRQSRQXXAGS-UHFFFAOYSA-N 0 0 413.499 4.088 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NCC[C@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000432262163 859074453 /nfs/dbraw/zinc/07/44/53/859074453.db2.gz LKBLWIHXWWELDJ-OAHLLOKOSA-N 0 0 402.825 4.226 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000432265592 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N#Cc1ccc(-c2nnc(N3CCC[C@H]3c3ccsc3)n2C[C@H]2CCOC2)cc1 ZINC000461603027 874736355 /nfs/dbraw/zinc/73/63/55/874736355.db2.gz UZPVJUKRSVIKRV-XLIONFOSSA-N 0 0 405.527 4.256 20 30 HIEDRN Cc1ccccc1C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461606260 874743926 /nfs/dbraw/zinc/74/39/26/874743926.db2.gz TXFZUBFJIOIXOG-FPOVZHCZSA-N 0 0 415.541 4.229 20 30 HIEDRN CC(C)Oc1ccc(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)cc1 ZINC000461609199 874750405 /nfs/dbraw/zinc/75/04/05/874750405.db2.gz KXTWPSCMGWBLOC-IBGZPJMESA-N 0 0 417.513 4.408 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(I)c(F)c1 ZINC000461671725 874821864 /nfs/dbraw/zinc/82/18/64/874821864.db2.gz YWAJLMSMTQGCCM-UHFFFAOYSA-N 0 0 423.229 4.376 20 30 HIEDRN Cc1cccc(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCO2)c1 ZINC000461670864 874822067 /nfs/dbraw/zinc/82/20/67/874822067.db2.gz FQNPBBZTQGENOC-JOCHJYFZSA-N 0 0 417.513 4.374 20 30 HIEDRN CC[C@H]1c2ccsc2CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461673349 874823510 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COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468811708 882871829 /nfs/dbraw/zinc/87/18/29/882871829.db2.gz CVFKFQZCEYBMRY-GMAHTHKFSA-N 0 0 415.493 4.464 20 30 HIEDRN CCCc1ccc(C(=O)CCC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 ZINC000461735145 874880802 /nfs/dbraw/zinc/88/08/02/874880802.db2.gz UIQDPIUIPAAYNZ-UHFFFAOYSA-N 0 0 401.470 4.002 20 30 HIEDRN CCN(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461736734 874881980 /nfs/dbraw/zinc/88/19/80/874881980.db2.gz YPRATUJYPZUCRT-LJQANCHMSA-N 0 0 407.543 4.474 20 30 HIEDRN Cc1nc(N2CCN(Cc3ccc(Br)s3)CC2)c(Cl)cc1C#N ZINC000461737615 874882974 /nfs/dbraw/zinc/88/29/74/874882974.db2.gz WOQQPXMQOFDSIX-UHFFFAOYSA-N 0 0 411.756 4.061 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCO1 ZINC000461741752 874886457 /nfs/dbraw/zinc/88/64/57/874886457.db2.gz YINVGZAAYFYHKB-JOCHJYFZSA-N 0 0 403.530 4.026 20 30 HIEDRN Cc1cc(C)c(C(=O)CCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)c1 ZINC000461752176 874890950 /nfs/dbraw/zinc/89/09/50/874890950.db2.gz UNDJSJVJJWGPHH-UHFFFAOYSA-N 0 0 401.470 4.056 20 30 HIEDRN CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000461792371 874907533 /nfs/dbraw/zinc/90/75/33/874907533.db2.gz UBSMZPBDGGSXIU-OAHLLOKOSA-N 0 0 418.522 4.103 20 30 HIEDRN CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 ZINC000461804965 874918232 /nfs/dbraw/zinc/91/82/32/874918232.db2.gz DVGPEUIDAAYUOM-VXKWHMMOSA-N 0 0 423.561 4.171 20 30 HIEDRN C=CCN(Cc1ccccc1Oc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000461818623 874941743 /nfs/dbraw/zinc/94/17/43/874941743.db2.gz RREOHEHTDDWPPW-QGZVFWFLSA-N 0 0 409.910 4.447 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCCO1 ZINC000461819919 874942833 /nfs/dbraw/zinc/94/28/33/874942833.db2.gz XFYFRWDEANXAGZ-FQEVSTJZSA-N 0 0 413.953 4.221 20 30 HIEDRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461854406 874998903 /nfs/dbraw/zinc/99/89/03/874998903.db2.gz MSPHACVGCFRJMT-FXAWDEMLSA-N 0 0 421.501 4.088 20 30 HIEDRN C[C@H]1CCCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461856492 875002058 /nfs/dbraw/zinc/00/20/58/875002058.db2.gz ATWZUSAMIBHMFS-RXVVDRJESA-N 0 0 409.534 4.067 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCO1 ZINC000461857218 875002934 /nfs/dbraw/zinc/00/29/34/875002934.db2.gz UJMGGZRGUITJMB-FQEVSTJZSA-N 0 0 407.518 4.046 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H]1CCCCO1 ZINC000461859891 875008149 /nfs/dbraw/zinc/00/81/49/875008149.db2.gz XDQGTHSBENNTKA-JFIYKMOQSA-N 0 0 413.591 4.439 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NCc3cnc(-c4ccncc4)s3)ccc21 ZINC000468841287 882885346 /nfs/dbraw/zinc/88/53/46/882885346.db2.gz FLXWLZPDQDUDIE-UHFFFAOYSA-N 0 0 403.511 4.400 20 30 HIEDRN C[C@H]1CC2(CCC2)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461863999 875013960 /nfs/dbraw/zinc/01/39/60/875013960.db2.gz VXSBZOXCMSPIAZ-RXVVDRJESA-N 0 0 421.545 4.067 20 30 HIEDRN C[C@@H]1C[C@H](C)[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 ZINC000461873806 875025259 /nfs/dbraw/zinc/02/52/59/875025259.db2.gz XPJQNVLTHWCZHD-MOXWOTFGSA-N 0 0 423.561 4.169 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000461908163 875050852 /nfs/dbraw/zinc/05/08/52/875050852.db2.gz PDVKBOKPXOHASD-UHFFFAOYSA-N 0 0 415.287 4.160 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1NS(=O)(=O)c1ccccc1 ZINC000461917760 875060152 /nfs/dbraw/zinc/06/01/52/875060152.db2.gz KMHMMAPYHCKQAR-KRWDZBQOSA-N 0 0 419.506 4.410 20 30 HIEDRN C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(C#N)c1 ZINC000461927812 875066268 /nfs/dbraw/zinc/06/62/68/875066268.db2.gz JJVJYROVKCMWEC-NVXWUHKLSA-N 0 0 412.331 4.067 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000461977022 875097421 /nfs/dbraw/zinc/09/74/21/875097421.db2.gz KAXUIPDSJJKOFC-TZIWHRDSSA-N 0 0 402.498 4.022 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000461982740 875102980 /nfs/dbraw/zinc/10/29/80/875102980.db2.gz PJEWKDDKGSDIPW-LRDDRELGSA-N 0 0 401.264 4.450 20 30 HIEDRN C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(Br)c1 ZINC000462023672 875140956 /nfs/dbraw/zinc/14/09/56/875140956.db2.gz LQZMVQOVUXHIHT-HNNXBMFYSA-N 0 0 413.315 4.494 20 30 HIEDRN COC(=O)c1cc(Br)cc(C(=O)Nc2ccccc2SCCC#N)c1 ZINC000462059193 875171698 /nfs/dbraw/zinc/17/16/98/875171698.db2.gz ZZRLDCBPJBXHNX-UHFFFAOYSA-N 0 0 419.300 4.494 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCCOc2ccccc2-c2ccccc2)cn1 ZINC000462085435 875193901 /nfs/dbraw/zinc/19/39/01/875193901.db2.gz RWPJJJAIGMWHGO-UHFFFAOYSA-N 0 0 424.464 4.006 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000462085495 875195145 /nfs/dbraw/zinc/19/51/45/875195145.db2.gz BCMMMXLDLWMJAH-OAHLLOKOSA-N 0 0 420.904 4.858 20 30 HIEDRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000462087671 875196882 /nfs/dbraw/zinc/19/68/82/875196882.db2.gz AYDNIOLMQPRDTQ-DYESRHJHSA-N 0 0 400.486 4.453 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)Nc2ccc(OC3CCCC3)c(F)c2)cn1 ZINC000462089439 875198706 /nfs/dbraw/zinc/19/87/06/875198706.db2.gz BEKCYXACSYEYMO-UHFFFAOYSA-N 0 0 406.421 4.243 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCCCc2ccc(Cl)cc2Cl)cn1 ZINC000462091652 875201838 /nfs/dbraw/zinc/20/18/38/875201838.db2.gz GVKUNASBFMREEP-UHFFFAOYSA-N 0 0 415.284 4.200 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000462094201 875203860 /nfs/dbraw/zinc/20/38/60/875203860.db2.gz UZWQLNFUNXHSDI-GFCCVEGCSA-N 0 0 415.284 4.637 20 30 HIEDRN CC(C)(CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)Cc1cccc(Cl)c1 ZINC000462096878 875205129 /nfs/dbraw/zinc/20/51/29/875205129.db2.gz HEAZANGVQODRQU-UHFFFAOYSA-N 0 0 408.893 4.183 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cn1 ZINC000462095535 875205537 /nfs/dbraw/zinc/20/55/37/875205537.db2.gz DWLWWGVCAQJCDB-QFIPXVFZSA-N 0 0 422.492 4.287 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCc3c(Cl)c(Cl)ccc3C2)cn1 ZINC000462097789 875206999 /nfs/dbraw/zinc/20/69/99/875206999.db2.gz AQUFDZNOKGBWKL-UHFFFAOYSA-N 0 0 413.268 4.036 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000462097079 875207474 /nfs/dbraw/zinc/20/74/74/875207474.db2.gz IGSYSKGHIGLBLX-NRFANRHFSA-N 0 0 418.476 4.640 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000462104144 875211924 /nfs/dbraw/zinc/21/19/24/875211924.db2.gz QRVYSVJWSOEIFW-OAQYLSRUSA-N 0 0 414.513 4.770 20 30 HIEDRN Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(F)c1 ZINC000468874435 882906386 /nfs/dbraw/zinc/90/63/86/882906386.db2.gz FEVGJGKWNNSWCT-INIZCTEOSA-N 0 0 408.477 4.156 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000462110164 875216538 /nfs/dbraw/zinc/21/65/38/875216538.db2.gz SLKVPUBUPZSSAT-LJQANCHMSA-N 0 0 424.455 4.635 20 30 HIEDRN CCn1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000462152199 875248614 /nfs/dbraw/zinc/24/86/14/875248614.db2.gz APIZIFNHPLVYNP-GOSISDBHSA-N 0 0 414.918 4.107 20 30 HIEDRN C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000462160443 875256101 /nfs/dbraw/zinc/25/61/01/875256101.db2.gz AQOMQXZTZRICGM-JXFKEZNVSA-N 0 0 416.447 4.186 20 30 HIEDRN CSc1cccc([C@@H](NCC(=O)N[C@](C)(C#N)C2CC2)c2cc(F)ccc2F)c1 ZINC000462178227 875276397 /nfs/dbraw/zinc/27/63/97/875276397.db2.gz UTTKIXAXQOMLGX-FGZHOGPDSA-N 0 0 415.509 4.174 20 30 HIEDRN N#Cc1cccc(COc2cccc(NCC(=O)NCCc3c(F)cccc3F)c2)c1 ZINC000462220584 875328918 /nfs/dbraw/zinc/32/89/18/875328918.db2.gz GIJQFQHZDBIJKH-UHFFFAOYSA-N 0 0 421.447 4.186 20 30 HIEDRN CN(CCOc1ccccc1F)C(=O)CNc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000462232876 875343182 /nfs/dbraw/zinc/34/31/82/875343182.db2.gz MRXXCVLALDIWSI-UHFFFAOYSA-N 0 0 419.456 4.439 20 30 HIEDRN N#Cc1cccc(OCCNc2ccc(NC(=O)[C@@H]3CCCO3)cc2C(F)(F)F)c1 ZINC000462239455 875354043 /nfs/dbraw/zinc/35/40/43/875354043.db2.gz YBJLKMVAKBGMFI-IBGZPJMESA-N 0 0 419.403 4.185 20 30 HIEDRN COc1ccccc1[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000462248701 875368003 /nfs/dbraw/zinc/36/80/03/875368003.db2.gz RNXXSLOKIYSHSF-XMMPIXPASA-N 0 0 419.912 4.216 20 30 HIEDRN COc1cccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2ccccc2Cl)c1 ZINC000462328494 875446527 /nfs/dbraw/zinc/44/65/27/875446527.db2.gz SFUNSDABKNTCBW-NRFANRHFSA-N 0 0 412.898 4.288 20 30 HIEDRN COCCN(Cc1sccc1Br)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462342954 875457587 /nfs/dbraw/zinc/45/75/87/875457587.db2.gz UMVLFINVFDHUEE-CYBMUJFWSA-N 0 0 407.333 4.161 20 30 HIEDRN CCCOc1ccc(Br)cc1CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000462387169 875498119 /nfs/dbraw/zinc/49/81/19/875498119.db2.gz IHXQMQXWLXMAHD-UHFFFAOYSA-N 0 0 408.317 4.225 20 30 HIEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1c1ccccc1 ZINC000462410528 875516571 /nfs/dbraw/zinc/51/65/71/875516571.db2.gz BJTHLWJWHGIIOZ-PBHICJAKSA-N 0 0 408.445 4.391 20 30 HIEDRN C=CCN(Cc1cccs1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000462446303 875553589 /nfs/dbraw/zinc/55/35/89/875553589.db2.gz JXLBOXHTVRHDCH-UHFFFAOYSA-N 0 0 407.948 4.273 20 30 HIEDRN N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000462461083 875567716 /nfs/dbraw/zinc/56/77/16/875567716.db2.gz AUOYZDRJAKTYTD-UHFFFAOYSA-N 0 0 420.437 4.181 20 30 HIEDRN COc1cc(CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)ccc1C#N ZINC000462473476 875581231 /nfs/dbraw/zinc/58/12/31/875581231.db2.gz KOAOLMDFYBLEIS-UHFFFAOYSA-N 0 0 403.404 4.460 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000462477441 875587092 /nfs/dbraw/zinc/58/70/92/875587092.db2.gz XNCYWWIWOWQZNO-UHFFFAOYSA-N 0 0 420.339 4.218 20 30 HIEDRN COc1ccccc1-c1ccc(CN(C(C)C)S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000462492058 875604681 /nfs/dbraw/zinc/60/46/81/875604681.db2.gz TXMUYXFTMPSUKG-UHFFFAOYSA-N 0 0 421.522 4.228 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468898190 882947691 /nfs/dbraw/zinc/94/76/91/882947691.db2.gz IFNRXVUYGSHWQL-NSHDSACASA-N 0 0 417.391 4.080 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000462528651 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HIEDRN C[C@@H](NC(=O)c1cc(CN2CCCC2)on1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000462603070 875717499 /nfs/dbraw/zinc/71/74/99/875717499.db2.gz OEPHCQXGOAZYTO-QGZVFWFLSA-N 0 0 400.482 4.300 20 30 HIEDRN C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)Sc1ccccc1 ZINC000462604968 875719182 /nfs/dbraw/zinc/71/91/82/875719182.db2.gz GIROJVGNGNBHSL-GFCCVEGCSA-N 0 0 400.447 4.036 20 30 HIEDRN N#CCCn1ccc(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)n1 ZINC000462629369 875741267 /nfs/dbraw/zinc/74/12/67/875741267.db2.gz HEIQQDLOBGXNPI-UHFFFAOYSA-N 0 0 400.866 4.993 20 30 HIEDRN Cc1nnc(-c2cccc(C#N)c2)n1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000462638849 875749534 /nfs/dbraw/zinc/74/95/34/875749534.db2.gz KDPLJSDRNPFOPJ-IBGZPJMESA-N 0 0 423.423 4.095 20 30 HIEDRN Cc1cc(C)c2ncc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)c2c1 ZINC000462797200 875845950 /nfs/dbraw/zinc/84/59/50/875845950.db2.gz BVANNSSYIYPYQJ-UHFFFAOYSA-N 0 0 422.891 4.478 20 30 HIEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000462800146 875848884 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412.902 4.364 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000471047537 885561601 /nfs/dbraw/zinc/56/16/01/885561601.db2.gz NWBRPKYCXRXCBZ-FUHWJXTLSA-N 0 0 414.292 4.227 20 30 HIEDRN C=CCN(CC(F)(F)F)C(=O)c1cc(I)ccc1Cl ZINC000471053556 885568164 /nfs/dbraw/zinc/56/81/64/885568164.db2.gz SMPYHDMWQNLPME-UHFFFAOYSA-N 0 0 403.569 4.135 20 30 HIEDRN CC[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)Oc1cccc(C(F)(F)F)c1 ZINC000471054096 885570027 /nfs/dbraw/zinc/57/00/27/885570027.db2.gz TZSJUIXTIBWHAX-IEBWSBKVSA-N 0 0 415.415 4.233 20 30 HIEDRN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471082844 885609356 /nfs/dbraw/zinc/60/93/56/885609356.db2.gz KPOFKPNVLWWPPB-BXKDBHETSA-N 0 0 422.291 4.309 20 30 HIEDRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471090811 885619666 /nfs/dbraw/zinc/61/96/66/885619666.db2.gz MVDLHKAAKDZHSZ-PWSUYJOCSA-N 0 0 422.291 4.309 20 30 HIEDRN C[C@@H]1c2cccc(Br)c2CCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471098104 885628340 /nfs/dbraw/zinc/62/83/40/885628340.db2.gz LSCRZTGNIHYCBQ-PBHICJAKSA-N 0 0 408.299 4.149 20 30 HIEDRN Cc1ccc(N(Cc2cccs2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000471111217 885646409 /nfs/dbraw/zinc/64/64/09/885646409.db2.gz BWOOPUAZDXXBEB-UHFFFAOYSA-N 0 0 413.480 4.232 20 30 HIEDRN CCOc1cc(Br)c(NC(=O)Cc2ccc(C#N)cc2)cc1OCC ZINC000504050946 912958553 /nfs/dbraw/zinc/95/85/53/912958553.db2.gz JXPNEFWZXBLEHM-UHFFFAOYSA-N 0 0 403.276 4.299 20 30 HIEDRN C=CCN(C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1nc2c(s1)CCCC2 ZINC000471130256 885669020 /nfs/dbraw/zinc/66/90/20/885669020.db2.gz ULSISGNOCBRXDX-UHFFFAOYSA-N 0 0 411.527 4.110 20 30 HIEDRN CN(Cc1cc(Br)ccc1Cl)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471150379 885697410 /nfs/dbraw/zinc/69/74/10/885697410.db2.gz FDTNTSFIGGWBAY-HNNXBMFYSA-N 0 0 416.706 4.315 20 30 HIEDRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471155423 885707762 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HIEDRN N#Cc1cc(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)ccc1F ZINC000481737467 897131250 /nfs/dbraw/zinc/13/12/50/897131250.db2.gz FNWAKFRRISODKR-CYBMUJFWSA-N 0 0 417.282 4.108 20 30 HIEDRN N#Cc1cc(NC(=O)NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1F ZINC000481739732 897135578 /nfs/dbraw/zinc/13/55/78/897135578.db2.gz JDWZQWHBGGYTTP-UHFFFAOYSA-N 0 0 419.460 4.138 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCc3ccccc3[C@H]2C)nnc1-c1ccco1 ZINC000481782340 897163855 /nfs/dbraw/zinc/16/38/55/897163855.db2.gz QBDXQTIWONJRHV-MRXNPFEDSA-N 0 0 408.527 4.352 20 30 HIEDRN CN(C)C(=O)CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)c1ccccc1 ZINC000481852823 897219618 /nfs/dbraw/zinc/21/96/18/897219618.db2.gz GAWWIXQNJISZIN-UHFFFAOYSA-N 0 0 415.518 4.444 20 30 HIEDRN C=C[C@@H](C)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC000481855661 897223199 /nfs/dbraw/zinc/22/31/99/897223199.db2.gz MMKAPKDSVSGNSM-CYBMUJFWSA-N 0 0 402.907 4.023 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCN[C@@H](c4cccc(F)c4)C3)c2)cc1 ZINC000505467027 914139989 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HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000482080095 897519731 /nfs/dbraw/zinc/51/97/31/897519731.db2.gz HXPNMBXRBSKAOC-GOSISDBHSA-N 0 0 408.502 4.496 20 30 HIEDRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000482147883 897610504 /nfs/dbraw/zinc/61/05/04/897610504.db2.gz RROCBLKOHORJHM-GFCCVEGCSA-N 0 0 412.309 4.023 20 30 HIEDRN Cc1cccc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C(F)(F)F)c1 ZINC000482157490 897621085 /nfs/dbraw/zinc/62/10/85/897621085.db2.gz MEEWVVDOTMQELN-HXUWFJFHSA-N 0 0 418.463 4.244 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)c2ccccc2OC2CCCCC2)cc(OC)c1OC ZINC000505496115 914179284 /nfs/dbraw/zinc/17/92/84/914179284.db2.gz WAWZSUPAHRFFCR-IBGZPJMESA-N 0 0 424.497 4.419 20 30 HIEDRN C=CCOc1ccccc1C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 ZINC000482275444 897763712 /nfs/dbraw/zinc/76/37/12/897763712.db2.gz XGKZZCLCGFPTAL-UHFFFAOYSA-N 0 0 416.905 4.404 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)NC[C@H](CO)Cc3ccc(F)c(F)c3)c2)cc1 ZINC000482300532 897796743 /nfs/dbraw/zinc/79/67/43/897796743.db2.gz WNKFLHAJISEMKY-GOSISDBHSA-N 0 0 422.431 4.210 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)[C@@H](C)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000505504951 914194310 /nfs/dbraw/zinc/19/43/10/914194310.db2.gz CIQFSOVORNCGKQ-MGPUTAFESA-N 0 0 404.466 4.350 20 30 HIEDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000482335167 897840272 /nfs/dbraw/zinc/84/02/72/897840272.db2.gz NPVDKGKBZPZEMF-XLIONFOSSA-N 0 0 409.555 4.404 20 30 HIEDRN O=C(NCCOCC(F)(F)F)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000482339812 897846814 /nfs/dbraw/zinc/84/68/14/897846814.db2.gz XDSGDEMUCBIJGU-SNVBAGLBSA-N 0 0 412.252 4.187 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000482341568 897849501 /nfs/dbraw/zinc/84/95/01/897849501.db2.gz IUJCSKDBROSFBJ-UHFFFAOYSA-N 0 0 403.511 4.274 20 30 HIEDRN N#Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000505508076 914197487 /nfs/dbraw/zinc/19/74/87/914197487.db2.gz VOGFMWQXDBANSI-UHFFFAOYSA-N 0 0 422.699 4.117 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482348097 897858581 /nfs/dbraw/zinc/85/85/81/897858581.db2.gz GBAGAMXZKJSVNR-OAQYLSRUSA-N 0 0 405.477 4.043 20 30 HIEDRN COC(=O)CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(F)c1 ZINC000482352369 897866298 /nfs/dbraw/zinc/86/62/98/897866298.db2.gz NFOFTWWVAVQHFE-UHFFFAOYSA-N 0 0 418.424 4.096 20 30 HIEDRN O=C(NCc1ccc(CO)c(F)c1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000482385406 897914928 /nfs/dbraw/zinc/91/49/28/897914928.db2.gz YPBHSMAZPLTLOA-OAHLLOKOSA-N 0 0 424.316 4.440 20 30 HIEDRN C=CCN(CCOC)C(=O)c1cccnc1SCc1cccc(Br)c1 ZINC000482396113 897931133 /nfs/dbraw/zinc/93/11/33/897931133.db2.gz AMOXQFNVNVPQJH-UHFFFAOYSA-N 0 0 421.360 4.411 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)n1 ZINC000482398451 897936355 /nfs/dbraw/zinc/93/63/55/897936355.db2.gz LJLKRJVLGNJDRX-SFHVURJKSA-N 0 0 402.498 4.396 20 30 HIEDRN O=C(N[C@@H](CO)c1ccc(F)cc1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000482399661 897937865 /nfs/dbraw/zinc/93/78/65/897937865.db2.gz FKDXYEAYPMJFDY-GJZGRUSLSA-N 0 0 424.316 4.481 20 30 HIEDRN O=C(NCc1nccn1C(F)F)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000482452587 898019579 /nfs/dbraw/zinc/01/95/79/898019579.db2.gz WBMNXNFETRPKFZ-LLVKDONJSA-N 0 0 416.272 4.400 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)c2ccccc2CCC(F)(F)F)cc(OC)c1OC ZINC000505520685 914212547 /nfs/dbraw/zinc/21/25/47/914212547.db2.gz QZCOZIUWNQOSJU-INIZCTEOSA-N 0 0 422.403 4.202 20 30 HIEDRN COC(=O)c1ccc([C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C(F)(F)F)cc1 ZINC000482459579 898031348 /nfs/dbraw/zinc/03/13/48/898031348.db2.gz VRQROBMBMPRKLR-ZWKOTPCHSA-N 0 0 419.403 4.421 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(C(=O)OC)ccc1C(C)C ZINC000482480707 898059544 /nfs/dbraw/zinc/05/95/44/898059544.db2.gz OFROMSFWLSEEPE-UHFFFAOYSA-N 0 0 400.475 4.292 20 30 HIEDRN CCCc1c(NC(=O)N2CCCC[C@H]2c2nc(C)no2)cnn1-c1cccc(C#N)c1 ZINC000482500054 898081471 /nfs/dbraw/zinc/08/14/71/898081471.db2.gz ARSIYFSUDUBDAE-FQEVSTJZSA-N 0 0 419.489 4.147 20 30 HIEDRN CCCc1c(NC(=O)N[C@H]2c3ccc(F)cc3O[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482510649 898095660 /nfs/dbraw/zinc/09/56/60/898095660.db2.gz YZUMNTDUUDDCTL-JLCFBVMHSA-N 0 0 419.460 4.479 20 30 HIEDRN C=CCOc1ccc(CNC(=O)Nc2cc(Br)c(OC)cc2OC)cc1 ZINC000482512389 898097347 /nfs/dbraw/zinc/09/73/47/898097347.db2.gz RCKMPJXKEFCNDB-UHFFFAOYSA-N 0 0 421.291 4.353 20 30 HIEDRN CC1(C#N)CN(C(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC000482578138 898173815 /nfs/dbraw/zinc/17/38/15/898173815.db2.gz FTZMSRXJDDQQGN-UHFFFAOYSA-N 0 0 408.811 4.019 20 30 HIEDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NCc1cc(C#N)ccc1F ZINC000482607777 898209293 /nfs/dbraw/zinc/20/92/93/898209293.db2.gz LHIRCQSLYNTDDJ-LLVKDONJSA-N 0 0 408.246 4.029 20 30 HIEDRN Cc1cccn2cc(COc3ccc(C(=O)N(CCC#N)CC(F)(F)F)cc3)nc12 ZINC000482644727 898248682 /nfs/dbraw/zinc/24/86/82/898248682.db2.gz WIWFRTNBDFRGNZ-UHFFFAOYSA-N 0 0 416.403 4.140 20 30 HIEDRN N#CCCN(CC(F)(F)F)C(=O)CSCc1ccc(Br)cc1F ZINC000482650210 898253591 /nfs/dbraw/zinc/25/35/91/898253591.db2.gz IZDZRXHACHBXJR-UHFFFAOYSA-N 0 0 413.234 4.126 20 30 HIEDRN N#C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1c(Cl)cccc1Cl ZINC000505540229 914236161 /nfs/dbraw/zinc/23/61/61/914236161.db2.gz MNUCPDIBMFSNNH-DYVFJYSZSA-N 0 0 402.281 4.265 20 30 HIEDRN N#CCCN(CC(F)(F)F)C(=O)CCOc1ccc(Cl)cc1Br ZINC000482670056 898271644 /nfs/dbraw/zinc/27/16/44/898271644.db2.gz YNNFROKWUUDRAI-UHFFFAOYSA-N 0 0 413.621 4.176 20 30 HIEDRN C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000482705703 898305295 /nfs/dbraw/zinc/30/52/95/898305295.db2.gz NROMUPDVOZRTHZ-JXFKEZNVSA-N 0 0 407.518 4.288 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC ZINC000505548020 914250607 /nfs/dbraw/zinc/25/06/07/914250607.db2.gz XKUFGXXPWOTGKX-AWEZNQCLSA-N 0 0 413.232 4.153 20 30 HIEDRN Cc1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(OCC(F)(F)F)c1 ZINC000482833701 898442213 /nfs/dbraw/zinc/44/22/13/898442213.db2.gz VXICHNMUWFIQTG-UHFFFAOYSA-N 0 0 406.404 4.282 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OC ZINC000505554339 914255907 /nfs/dbraw/zinc/25/59/07/914255907.db2.gz XQZCZZIWNQIZCM-CQSZACIVSA-N 0 0 400.818 4.107 20 30 HIEDRN C=C(C)[C@H](NC(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000482892817 898511956 /nfs/dbraw/zinc/51/19/56/898511956.db2.gz YQGIDZSDJXBRTN-FPOVZHCZSA-N 0 0 401.457 4.101 20 30 HIEDRN COc1cccc(Oc2ccc(CNC(=O)CSc3ccc(C#N)cc3)cn2)c1 ZINC000482908634 898527609 /nfs/dbraw/zinc/52/76/09/898527609.db2.gz QZXQYIKCPUXIMD-UHFFFAOYSA-N 0 0 405.479 4.163 20 30 HIEDRN C=CCc1cc(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)cc(OC)c1OC ZINC000482936198 898558539 /nfs/dbraw/zinc/55/85/39/898558539.db2.gz JICOLUZFAQWGBX-CJNGLKHVSA-N 0 0 400.441 4.305 20 30 HIEDRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000505560062 914264039 /nfs/dbraw/zinc/26/40/39/914264039.db2.gz YIRLPPVEXYRIFO-LJQANCHMSA-N 0 0 421.460 4.431 20 30 HIEDRN Cc1ccc(NC(=O)c2nnc(CN(Cc3ccc(C#N)cc3)C3CC3)s2)cc1 ZINC000505562182 914266940 /nfs/dbraw/zinc/26/69/40/914266940.db2.gz PPLNOLMTECMIID-UHFFFAOYSA-N 0 0 403.511 4.135 20 30 HIEDRN COCCN(Cc1sccc1Br)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000482967330 898598580 /nfs/dbraw/zinc/59/85/80/898598580.db2.gz WZGZNMDCGAEQAP-UHFFFAOYSA-N 0 0 419.344 4.355 20 30 HIEDRN Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)CC(C)(C)C#N)cc1 ZINC000482970341 898603445 /nfs/dbraw/zinc/60/34/45/898603445.db2.gz JKBOPTSKIXDIBS-UHFFFAOYSA-N 0 0 407.514 4.349 20 30 HIEDRN C[C@H](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)[S@@](C)=O ZINC000482982770 898620868 /nfs/dbraw/zinc/62/08/68/898620868.db2.gz PMVZKAHOIXIGRG-PFUSGODGSA-N 0 0 405.907 4.283 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000483007797 898659410 /nfs/dbraw/zinc/65/94/10/898659410.db2.gz GDMMOIZWESTQRS-UUOWRZLLSA-N 0 0 406.482 4.069 20 30 HIEDRN Cc1cc([C@@H]2CN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CCO2)ccc1F ZINC000483037632 898703031 /nfs/dbraw/zinc/70/30/31/898703031.db2.gz DDIZCXGPSOCEOG-SFHVURJKSA-N 0 0 405.376 4.213 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)o1 ZINC000483048621 898721045 /nfs/dbraw/zinc/72/10/45/898721045.db2.gz PZKMLNBSERHMGF-UHFFFAOYSA-N 0 0 419.412 4.248 20 30 HIEDRN CCn1c(CNC(=O)C2(c3cccc(C#N)c3)CC2)nc2cc(Br)ccc21 ZINC000483060748 898739146 /nfs/dbraw/zinc/73/91/46/898739146.db2.gz PHDSOZGGPCCRFR-UHFFFAOYSA-N 0 0 423.314 4.038 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN[C@H](c3cccnc3)C2)c1 ZINC000505578418 914284733 /nfs/dbraw/zinc/28/47/33/914284733.db2.gz HITGSIPSGQEJMG-NRFANRHFSA-N 0 0 418.884 4.186 20 30 HIEDRN Cn1ncc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1C#N ZINC000483119578 898808100 /nfs/dbraw/zinc/80/81/00/898808100.db2.gz KAWCHIMBMVSBMU-UHFFFAOYSA-N 0 0 413.506 4.305 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@H](CC)c1nnc2n1CCCCC2)c1ccc(F)c(F)c1 ZINC000483164051 898833431 /nfs/dbraw/zinc/83/34/31/898833431.db2.gz YQHXFYBAZWOWNX-IEBWSBKVSA-N 0 0 403.477 4.350 20 30 HIEDRN Cn1cc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C#N ZINC000483170563 898837775 /nfs/dbraw/zinc/83/77/75/898837775.db2.gz GOQQZWDKVMBGTQ-UHFFFAOYSA-N 0 0 406.480 4.082 20 30 HIEDRN N#C[C@H](C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cnc2ccccc2n1 ZINC000483194304 898851008 /nfs/dbraw/zinc/85/10/08/898851008.db2.gz GTWXUEHARIGEAK-FQEVSTJZSA-N 0 0 419.444 4.347 20 30 HIEDRN C[C@@H]1CCCN(c2nnc(SCc3ccc(F)cc3C#N)n2Cc2ccco2)C1 ZINC000483214642 898863040 /nfs/dbraw/zinc/86/30/40/898863040.db2.gz PPBSBUOEJXNEBS-OAHLLOKOSA-N 0 0 411.506 4.459 20 30 HIEDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000483223515 898868091 /nfs/dbraw/zinc/86/80/91/898868091.db2.gz LRISCHNNCFRBFT-UHFFFAOYSA-N 0 0 400.482 4.001 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000483226181 898869526 /nfs/dbraw/zinc/86/95/26/898869526.db2.gz RMGFKJMYPKVGDH-AWEZNQCLSA-N 0 0 413.930 4.478 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000483229077 898871799 /nfs/dbraw/zinc/87/17/99/898871799.db2.gz XRSMYZYHHIBAQD-HXUWFJFHSA-N 0 0 414.546 4.168 20 30 HIEDRN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000483261342 898901800 /nfs/dbraw/zinc/90/18/00/898901800.db2.gz RVBDTYUHRDOFJL-IBGZPJMESA-N 0 0 400.482 4.179 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000483288207 898923520 /nfs/dbraw/zinc/92/35/20/898923520.db2.gz FPVAVZGWXPMTFB-HNAYVOBHSA-N 0 0 407.505 4.166 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCC(c2noc(C3CC3)n2)CC1)c1ccc(F)c(F)c1 ZINC000483290794 898924450 /nfs/dbraw/zinc/92/44/50/898924450.db2.gz AAPCZWMHBSULEA-GOSISDBHSA-N 0 0 402.445 4.432 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000483301200 898932455 /nfs/dbraw/zinc/93/24/55/898932455.db2.gz FUQKEOPZBNPFLJ-JOCHJYFZSA-N 0 0 412.484 4.227 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000483301403 898932943 /nfs/dbraw/zinc/93/29/43/898932943.db2.gz XKMHYFKRHJUNPN-UHFFFAOYSA-N 0 0 421.932 4.390 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)CC1 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N#Cc1ccc(CCC(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC000486907780 901953967 /nfs/dbraw/zinc/95/39/67/901953967.db2.gz RIHGRPVOWZHOBY-UHFFFAOYSA-N 0 0 418.415 4.212 20 30 HIEDRN CCc1nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)sc1C(=O)OC ZINC000486926104 901968956 /nfs/dbraw/zinc/96/89/56/901968956.db2.gz NNFFUCMSHHVYGK-UHFFFAOYSA-N 0 0 421.478 4.195 20 30 HIEDRN CCc1nc(NC(=O)c2cccc(COc3ccccc3C#N)c2)sc1C(=O)OC ZINC000486929366 901972665 /nfs/dbraw/zinc/97/26/65/901972665.db2.gz AOKQCRPQWPRQTG-UHFFFAOYSA-N 0 0 421.478 4.195 20 30 HIEDRN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000486973149 901999171 /nfs/dbraw/zinc/99/91/71/901999171.db2.gz FBSFOHMJJIRSOP-KNKQGSTJSA-N 0 0 419.525 4.064 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000487036543 902032326 /nfs/dbraw/zinc/03/23/26/902032326.db2.gz HZMNGHBVGHACSG-HSZRJFAPSA-N 0 0 408.523 4.301 20 30 HIEDRN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C#N)CC)c2)cc1 ZINC000487082084 902050907 /nfs/dbraw/zinc/05/09/07/902050907.db2.gz FSECLVSXLYVWEL-SFHVURJKSA-N 0 0 413.543 4.170 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)Nc2cc(C)cc(OC)c2C)nnc1-c1ccco1 ZINC000487137877 902069557 /nfs/dbraw/zinc/06/95/57/902069557.db2.gz MOAPMZNTBLNNQW-UHFFFAOYSA-N 0 0 412.515 4.470 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2ccc(F)c(F)c2C1 ZINC000487165784 902083164 /nfs/dbraw/zinc/08/31/64/902083164.db2.gz FHMGGMAOKFPIPB-CQSZACIVSA-N 0 0 401.482 4.213 20 30 HIEDRN C=CCN(C(=O)c1ccn(-c2c(F)cccc2F)n1)c1nc2c(s1)CCCC2 ZINC000487192788 902096243 /nfs/dbraw/zinc/09/62/43/902096243.db2.gz AAPDJEHWAWHZMR-UHFFFAOYSA-N 0 0 400.454 4.319 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000487203950 902100955 /nfs/dbraw/zinc/10/09/55/902100955.db2.gz CCVBTZUFJKASRA-GOSISDBHSA-N 0 0 416.275 4.451 20 30 HIEDRN CC(C)CCn1ncc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1C(C)C ZINC000487214363 902103320 /nfs/dbraw/zinc/10/33/20/902103320.db2.gz GDNWEAFJDPZCSQ-UHFFFAOYSA-N 0 0 406.494 4.149 20 30 HIEDRN COc1ccc(C(C)(C)C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1OC ZINC000505944420 914596925 /nfs/dbraw/zinc/59/69/25/914596925.db2.gz SHTQXRXXCHZBDN-MRXNPFEDSA-N 0 0 406.404 4.381 20 30 HIEDRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487320636 902152079 /nfs/dbraw/zinc/15/20/79/902152079.db2.gz BFYYQSVIJMFZEY-HXUWFJFHSA-N 0 0 419.554 4.473 20 30 HIEDRN Fc1ccc(-c2noc(CN3CCC(C(F)(F)F)(C(F)(F)F)C3)n2)cc1F ZINC000487376241 902168526 /nfs/dbraw/zinc/16/85/26/902168526.db2.gz KVGLJZGJVYXTBK-UHFFFAOYSA-N 0 0 401.257 4.332 20 30 HIEDRN COCCOc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)nc2ccccc21 ZINC000487390831 902175718 /nfs/dbraw/zinc/17/57/18/902175718.db2.gz PZLMUUIVAYTDFG-FQEVSTJZSA-N 0 0 403.482 4.425 20 30 HIEDRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505947455 914600733 /nfs/dbraw/zinc/60/07/33/914600733.db2.gz IDVXVWYLUDTTFH-GOEBONIOSA-N 0 0 410.326 4.190 20 30 HIEDRN CC1CCN(c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000505947904 914601202 /nfs/dbraw/zinc/60/12/02/914601202.db2.gz LNTCXUWVSMEVFL-GOSISDBHSA-N 0 0 402.420 4.331 20 30 HIEDRN N#C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccccc1F ZINC000505948975 914603480 /nfs/dbraw/zinc/60/34/80/914603480.db2.gz RAFVRTGWRIWRKL-INIZCTEOSA-N 0 0 406.314 4.164 20 30 HIEDRN COc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1OCc1cnn(C)c1 ZINC000487508255 902226935 /nfs/dbraw/zinc/22/69/35/902226935.db2.gz ZEQPASWLEAKGDI-OAQYLSRUSA-N 0 0 418.497 4.173 20 30 HIEDRN Cc1nnc(SCC(=O)N[C@@H](CCCC#N)c2ccccc2)n1Cc1ccccc1 ZINC000487566222 902242503 /nfs/dbraw/zinc/24/25/03/902242503.db2.gz CAVJXZVHQGQXIY-NRFANRHFSA-N 0 0 419.554 4.278 20 30 HIEDRN Cc1nc(NC(=O)COc2ccc(C#N)cc2)sc1Cc1ccc(F)c(F)c1F ZINC000487603572 902250757 /nfs/dbraw/zinc/25/07/57/902250757.db2.gz DXILMUCBZSEIGF-UHFFFAOYSA-N 0 0 417.412 4.349 20 30 HIEDRN CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1Cl ZINC000487662586 902281818 /nfs/dbraw/zinc/28/18/18/902281818.db2.gz RRLVRJNVRKNWIP-UHFFFAOYSA-N 0 0 406.873 4.454 20 30 HIEDRN C[C@@H](Cc1ccncc1)Nc1cc(C#N)c([N+](=O)[O-])c(N[C@@H](C)Cc2ccncc2)c1 ZINC000487685720 902290454 /nfs/dbraw/zinc/29/04/54/902290454.db2.gz HWHMRTADARMFOU-IRXDYDNUSA-N 0 0 416.485 4.343 20 30 HIEDRN O=C(c1c[nH]nc1-c1c(F)cccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000487712849 902308584 /nfs/dbraw/zinc/30/85/84/902308584.db2.gz FBUYUXOTXQZQBK-UHFFFAOYSA-N 0 0 413.268 4.312 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2ccccc2F)nn1-c1ccc(Br)cc1 ZINC000505958719 914615371 /nfs/dbraw/zinc/61/53/71/914615371.db2.gz ATPNJCDWZZKGBO-GOSISDBHSA-N 0 0 413.250 4.077 20 30 HIEDRN Cn1cc([C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C(F)(F)F)cn1 ZINC000487745283 902336936 /nfs/dbraw/zinc/33/69/36/902336936.db2.gz XHAQOSXOWWHWMF-IBGZPJMESA-N 0 0 414.387 4.312 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000487750714 902340229 /nfs/dbraw/zinc/34/02/29/902340229.db2.gz NHPZMXLQSYZXLB-IBGZPJMESA-N 0 0 414.387 4.426 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505958691 914615859 /nfs/dbraw/zinc/61/58/59/914615859.db2.gz AHHRZXSSYAJZAY-KRWDZBQOSA-N 0 0 417.387 4.126 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000487783838 902363429 /nfs/dbraw/zinc/36/34/29/902363429.db2.gz QSNZLTMIXDMWGV-IIBYNOLFSA-N 0 0 414.933 4.415 20 30 HIEDRN C=CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 ZINC000487792032 902368667 /nfs/dbraw/zinc/36/86/67/902368667.db2.gz FKHKHSRXANDKOW-QFIPXVFZSA-N 0 0 414.571 4.083 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](c1ccccc1Cl)c1ccccc1OC ZINC000487819242 902384907 /nfs/dbraw/zinc/38/49/07/902384907.db2.gz PMJVDEORVOVIMJ-HRAATJIYSA-N 0 0 414.933 4.415 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487822890 902387986 /nfs/dbraw/zinc/38/79/86/902387986.db2.gz XKLGPJDKBXTSFY-UHFFFAOYSA-N 0 0 414.263 4.272 20 30 HIEDRN Cc1ccn(-c2ccccc2CNC(=O)Nc2ccc(C#N)c(Br)c2)n1 ZINC000487845520 902403424 /nfs/dbraw/zinc/40/34/24/902403424.db2.gz WTNVGAGSRBBQCR-UHFFFAOYSA-N 0 0 410.275 4.137 20 30 HIEDRN N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccccc1F ZINC000505964316 914623239 /nfs/dbraw/zinc/62/32/39/914623239.db2.gz AZBCTWWCMVUTEX-FDDCHVKYSA-N 0 0 415.468 4.212 20 30 HIEDRN Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccc(C#N)c(Br)c2)c1C ZINC000487876191 902421371 /nfs/dbraw/zinc/42/13/71/902421371.db2.gz IMOVOMUDHNYZTE-UHFFFAOYSA-N 0 0 415.291 4.040 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3SCCc4ccccc43)o2)cc1 ZINC000487886666 902427733 /nfs/dbraw/zinc/42/77/33/902427733.db2.gz XGDKVYFNSUIXGO-JOCHJYFZSA-N 0 0 404.491 4.491 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000487887041 902429355 /nfs/dbraw/zinc/42/93/55/902429355.db2.gz XODSQKDLHBPCAY-OALUTQOASA-N 0 0 403.320 4.489 20 30 HIEDRN COCCCOc1cccc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487889856 902431080 /nfs/dbraw/zinc/43/10/80/902431080.db2.gz AIHGTCXYEIDZEJ-UHFFFAOYSA-N 0 0 404.264 4.380 20 30 HIEDRN COc1ccc(-n2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000505961367 914618292 /nfs/dbraw/zinc/61/82/92/914618292.db2.gz XLFLXQYPNCIKTE-SFHVURJKSA-N 0 0 401.253 4.182 20 30 HIEDRN CSc1nnc(CCCNc2c(C#N)cnc3ccc(C)cc32)n1C1CCCC1 ZINC000487928548 902459230 /nfs/dbraw/zinc/45/92/30/902459230.db2.gz WFIHRAISMSZVSR-UHFFFAOYSA-N 0 0 406.559 4.310 20 30 HIEDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487965357 902489639 /nfs/dbraw/zinc/48/96/39/902489639.db2.gz FDRIUZJGUFJYJA-UOXLDJKESA-N 0 0 420.332 4.283 20 30 HIEDRN COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)cc1 ZINC000487966177 902492695 /nfs/dbraw/zinc/49/26/95/902492695.db2.gz IDGNBKZZHMXDLH-OAHLLOKOSA-N 0 0 400.276 4.351 20 30 HIEDRN CC(C)COC[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000487971497 902498686 /nfs/dbraw/zinc/49/86/86/902498686.db2.gz VZCZAZODPASBQM-INIZCTEOSA-N 0 0 406.280 4.449 20 30 HIEDRN N#Cc1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)cc1Br ZINC000487981200 902501846 /nfs/dbraw/zinc/50/18/46/902501846.db2.gz AIZRVAOLZYOXEP-UHFFFAOYSA-N 0 0 419.226 4.160 20 30 HIEDRN C=CCn1c(SCCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1F ZINC000487983462 902505672 /nfs/dbraw/zinc/50/56/72/902505672.db2.gz VSQQMBKIIDBPEC-UHFFFAOYSA-N 0 0 412.490 4.400 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)C2)nc1 ZINC000487984560 902506296 /nfs/dbraw/zinc/50/62/96/902506296.db2.gz ZHEWVGWHWQUBDU-FYYLOGMGSA-N 0 0 416.456 4.045 20 30 HIEDRN CCOC(=O)c1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000505969942 914632120 /nfs/dbraw/zinc/63/21/20/914632120.db2.gz DVGYYFLTUWQBHX-INIZCTEOSA-N 0 0 422.224 4.073 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c(F)c1 ZINC000505970763 914632557 /nfs/dbraw/zinc/63/25/57/914632557.db2.gz KYZKASPPIOFRIU-UHFFFAOYSA-N 0 0 424.479 4.347 20 30 HIEDRN COc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1Br ZINC000505970743 914633470 /nfs/dbraw/zinc/63/34/70/914633470.db2.gz KNPDMXKAFSHADN-AWEZNQCLSA-N 0 0 413.193 4.471 20 30 HIEDRN C=CCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000488023876 902542417 /nfs/dbraw/zinc/54/24/17/902542417.db2.gz NORRQVAJYVYOFB-WMLDXEAASA-N 0 0 424.471 4.288 20 30 HIEDRN N#C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000505972413 914634680 /nfs/dbraw/zinc/63/46/80/914634680.db2.gz WPMODOHLWSWTEO-IBGZPJMESA-N 0 0 424.382 4.347 20 30 HIEDRN N#C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000505977137 914640143 /nfs/dbraw/zinc/64/01/43/914640143.db2.gz QSXSWLYQKOJLMY-KRWDZBQOSA-N 0 0 423.822 4.250 20 30 HIEDRN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Cc1c(F)cccc1C#N)OCCO3 ZINC000505981754 914645529 /nfs/dbraw/zinc/64/55/29/914645529.db2.gz MUISAEOAFUIUFS-MRXNPFEDSA-N 0 0 420.484 4.426 20 30 HIEDRN CC(C)c1nc(C2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000488149060 902643070 /nfs/dbraw/zinc/64/30/70/902643070.db2.gz KLOVPQKLKQANOF-UHFFFAOYSA-N 0 0 420.435 4.153 20 30 HIEDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000488150729 902644691 /nfs/dbraw/zinc/64/46/91/902644691.db2.gz NSSLTBWDNJUUEB-PMERELPUSA-N 0 0 418.518 4.147 20 30 HIEDRN N#Cc1cnc2c(F)cc(F)cc2c1NCc1cc2c(c(Br)c1)OCO2 ZINC000488187552 902673803 /nfs/dbraw/zinc/67/38/03/902673803.db2.gz ZVBBUJKXLNFPCM-UHFFFAOYSA-N 0 0 418.197 4.488 20 30 HIEDRN Fc1ccc([C@H](NCc2nnnn2-c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1 ZINC000488237900 902713756 /nfs/dbraw/zinc/71/37/56/902713756.db2.gz ZNNFTNOTOJODBT-HNNXBMFYSA-N 0 0 419.304 4.213 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)NC[C@H](Cc3ccccc3)c3ccccc3)cc2)c1N ZINC000488240067 902715190 /nfs/dbraw/zinc/71/51/90/902715190.db2.gz ZMXIHJQYZLMMST-QFIPXVFZSA-N 0 0 421.504 4.082 20 30 HIEDRN Cc1cccc([C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)N2CCOCC2)c1 ZINC000488241850 902716679 /nfs/dbraw/zinc/71/66/79/902716679.db2.gz MHPYOMWRRHKHAI-OAQYLSRUSA-N 0 0 408.452 4.179 20 30 HIEDRN Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n1C(C)C ZINC000488247566 902721205 /nfs/dbraw/zinc/72/12/05/902721205.db2.gz GPMIQYKTLJKIQD-UHFFFAOYSA-N 0 0 422.558 4.237 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1c(C#N)cnc2ccc(C)cc21 ZINC000488263635 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402.502 4.155 20 30 HIEDRN C[C@H](N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000488461630 902836612 /nfs/dbraw/zinc/83/66/12/902836612.db2.gz GYVPCRXVQRHZHY-VIFPVBQESA-N 0 0 422.291 4.433 20 30 HIEDRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)SCc2ccc(F)cc2C#N)c1 ZINC000488463394 902837371 /nfs/dbraw/zinc/83/73/71/902837371.db2.gz ZJWBURIBPODOOD-KBPBESRZSA-N 0 0 402.491 4.214 20 30 HIEDRN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000488464532 902838816 /nfs/dbraw/zinc/83/88/16/902838816.db2.gz JUSSTPXSOQBNFG-JXFKEZNVSA-N 0 0 402.523 4.133 20 30 HIEDRN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000488530824 902871695 /nfs/dbraw/zinc/87/16/95/902871695.db2.gz SIOXLITVZSYNKM-VWLOTQADSA-N 0 0 421.504 4.069 20 30 HIEDRN Cc1cc2ncn(C[C@H](O)CSc3nc(C(F)(F)F)ccc3C#N)c2cc1C ZINC000488566417 902886215 /nfs/dbraw/zinc/88/62/15/902886215.db2.gz XNKULQYHDHXISP-AWEZNQCLSA-N 0 0 406.433 4.092 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1OC1CCOCC1 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CCn1c2ccc(C#N)cc2nc1NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000490797409 904243642 /nfs/dbraw/zinc/24/36/42/904243642.db2.gz VQGCGBSARZHFOD-UHFFFAOYSA-N 0 0 410.481 4.163 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798317 904246024 /nfs/dbraw/zinc/24/60/24/904246024.db2.gz YENDBUBVMQQJAO-INIZCTEOSA-N 0 0 424.526 4.450 20 30 HIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000490805138 904252289 /nfs/dbraw/zinc/25/22/89/904252289.db2.gz XGNQGIQMBYYUJG-UHFFFAOYSA-N 0 0 413.485 4.193 20 30 HIEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000490861221 904290981 /nfs/dbraw/zinc/29/09/81/904290981.db2.gz WHUVSIHQIZQIOS-XPIZARPCSA-N 0 0 407.942 4.143 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000490904213 904312087 /nfs/dbraw/zinc/31/20/87/904312087.db2.gz UBEQNNOBNGWHCF-WMZOPIPTSA-N 0 0 408.527 4.447 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000491000376 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Cc1cc(I)cc(NCc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000506191609 914840033 /nfs/dbraw/zinc/84/00/33/914840033.db2.gz PWJQSLLCVWTEFT-UHFFFAOYSA-N 0 0 416.222 4.133 20 30 HIEDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000492053512 904777066 /nfs/dbraw/zinc/77/70/66/904777066.db2.gz AUWVQMKRPHJIQC-AWEZNQCLSA-N 0 0 412.415 4.462 20 30 HIEDRN CC#CCN(C)C(=O)C(=O)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000492096772 904796399 /nfs/dbraw/zinc/79/63/99/904796399.db2.gz YTNMDVUEQKNPDZ-UHFFFAOYSA-N 0 0 409.244 4.345 20 30 HIEDRN CCN(CC#N)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC000492147442 904805747 /nfs/dbraw/zinc/80/57/47/904805747.db2.gz COZFTKOFOLARDZ-DEOSSOPVSA-N 0 0 424.504 4.034 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000506207411 914844982 /nfs/dbraw/zinc/84/49/82/914844982.db2.gz OPETWRFIQYHTTE-GFCCVEGCSA-N 0 0 413.301 4.400 20 30 HIEDRN C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c(OC)c1 ZINC000492196417 904813994 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HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000492557976 904868154 /nfs/dbraw/zinc/86/81/54/904868154.db2.gz LAFDWJXVNGPRKJ-XXBNENTESA-N 0 0 409.505 4.151 20 30 HIEDRN C=CCn1c(SCc2nc(C)c(C)s2)nnc1[C@@H]1COc2ccccc2O1 ZINC000492557061 904868187 /nfs/dbraw/zinc/86/81/87/904868187.db2.gz HREZEOMTOQPRRX-INIZCTEOSA-N 0 0 400.529 4.342 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)c2)c1 ZINC000492611244 904877752 /nfs/dbraw/zinc/87/77/52/904877752.db2.gz ZLHVMVXATJGCMO-UHFFFAOYSA-N 0 0 415.424 4.413 20 30 HIEDRN CNC(=O)c1cc(Br)ccc1NCc1cc(C#N)ccc1Br ZINC000492700624 904891087 /nfs/dbraw/zinc/89/10/87/904891087.db2.gz YKNXDLDOKRPROU-UHFFFAOYSA-N 0 0 423.108 4.055 20 30 HIEDRN COc1cc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1OC(F)F ZINC000492722199 904893464 /nfs/dbraw/zinc/89/34/64/904893464.db2.gz MQQSPVCJHDYLJU-UHFFFAOYSA-N 0 0 421.343 4.161 20 30 HIEDRN N#Cc1ccc(Br)c(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000492719051 904893486 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C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000531712438 931169819 /nfs/dbraw/zinc/16/98/19/931169819.db2.gz IAJMMKLNAAXRBJ-LRDDRELGSA-N 0 0 401.454 4.248 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000531713235 931170912 /nfs/dbraw/zinc/17/09/12/931170912.db2.gz QMWRCFHCHKZKOZ-BLLLJJGKSA-N 0 0 401.454 4.105 20 30 HIEDRN C=CCn1c(SC[C@@H](O)COc2ccc3ccccc3c2)nnc1-c1ccccn1 ZINC000531761503 931187241 /nfs/dbraw/zinc/18/72/41/931187241.db2.gz OMZUTRHSDHYDFN-IBGZPJMESA-N 0 0 418.522 4.211 20 30 HIEDRN C=C(C)Cn1c(SCCCn2c3ccccc3[nH]c2=O)nnc1-c1ccncc1 ZINC000531762487 931187252 /nfs/dbraw/zinc/18/72/52/931187252.db2.gz KYKFCVFFDGLCKZ-UHFFFAOYSA-N 0 0 406.515 4.154 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2Oc2cccc(F)c2)c(Cl)c1 ZINC000531763898 931187794 /nfs/dbraw/zinc/18/77/94/931187794.db2.gz HKGXHBGSBWXOGI-UHFFFAOYSA-N 0 0 423.831 4.398 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2n[nH]cc2Br)cc1 ZINC000531790847 931199098 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HIEDRN N#C[C@H](C(=O)c1cccc([C@H]2CCOC2)c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000535637955 933279485 /nfs/dbraw/zinc/27/94/85/933279485.db2.gz LWJHKPMBHFIBPW-DOTOQJQBSA-N 0 0 419.506 4.270 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1CC(C)C ZINC000535652203 933294857 /nfs/dbraw/zinc/29/48/57/933294857.db2.gz UZDRPTRJMQLLLN-UHFFFAOYSA-N 0 0 422.554 4.421 20 30 HIEDRN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000535653934 933295458 /nfs/dbraw/zinc/29/54/58/933295458.db2.gz CLDBPHQVZHBBAO-UHFFFAOYSA-N 0 0 419.717 4.363 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1Cl ZINC000535659591 933303038 /nfs/dbraw/zinc/30/30/38/933303038.db2.gz RNXCFPXXIZJERI-SJLPKXTDSA-N 0 0 411.889 4.168 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)[C@H](C)c2ccccn2)c1C#N ZINC000535667607 933313672 /nfs/dbraw/zinc/31/36/72/933313672.db2.gz GUBLFSDUOWPLHX-LJQANCHMSA-N 0 0 401.514 4.051 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)[C@H](C)c2ccncc2)c1C#N ZINC000535667652 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HIEDRN C=CCN1CC[C@H](Sc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)C1=O ZINC000537505150 933797237 /nfs/dbraw/zinc/79/72/37/933797237.db2.gz GPBFVNLOZQNKLG-INIZCTEOSA-N 0 0 400.891 4.060 20 30 HIEDRN CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000562431973 945074629 /nfs/dbraw/zinc/07/46/29/945074629.db2.gz XTJOSIUUBSIOQA-GOSISDBHSA-N 0 0 403.916 4.078 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)sc2C1 ZINC000562476095 945085131 /nfs/dbraw/zinc/08/51/31/945085131.db2.gz PFNHSSNRRBEIDG-INIZCTEOSA-N 0 0 422.554 4.084 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)sc2C1 ZINC000562476096 945085294 /nfs/dbraw/zinc/08/52/94/945085294.db2.gz PFNHSSNRRBEIDG-MRXNPFEDSA-N 0 0 422.554 4.084 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000562755195 945116170 /nfs/dbraw/zinc/11/61/70/945116170.db2.gz AOJDIKMAXQXCNL-SFHVURJKSA-N 0 0 408.575 4.169 20 30 HIEDRN CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000562864937 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CN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCCO1 ZINC000555373159 942500921 /nfs/dbraw/zinc/50/09/21/942500921.db2.gz VNDOVXPGGKOUHG-HXUWFJFHSA-N 0 0 407.905 4.286 20 30 HIEDRN CCOC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 ZINC000555379314 942503960 /nfs/dbraw/zinc/50/39/60/942503960.db2.gz CJHPTVLPBLULAM-UHFFFAOYSA-N 0 0 417.440 4.112 20 30 HIEDRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCO2)cc1 ZINC000555395082 942513149 /nfs/dbraw/zinc/51/31/49/942513149.db2.gz ONGXIBTVZAIEAA-GHTZIAJQSA-N 0 0 411.550 4.145 20 30 HIEDRN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC000555442202 942543995 /nfs/dbraw/zinc/54/39/95/942543995.db2.gz DGMIMULOPDFTOF-OAHLLOKOSA-N 0 0 411.506 4.407 20 30 HIEDRN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C#N)CC2)n1Cc1cccs1 ZINC000555442201 942544440 /nfs/dbraw/zinc/54/44/40/942544440.db2.gz DGMIMULOPDFTOF-HNNXBMFYSA-N 0 0 411.506 4.407 20 30 HIEDRN CCc1cnc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)s1 ZINC000555457707 942560166 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COc1cc(OC)c2ncc(C#N)c(N3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)c2c1 ZINC000561209633 944516013 /nfs/dbraw/zinc/51/60/13/944516013.db2.gz BBHNZTYRKIYVBS-LHSJRXKWSA-N 0 0 407.445 4.229 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000561214743 944516710 /nfs/dbraw/zinc/51/67/10/944516710.db2.gz DMORGBOFBSYALM-UHFFFAOYSA-N 0 0 404.488 4.399 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000561222701 944518326 /nfs/dbraw/zinc/51/83/26/944518326.db2.gz RYEXLDUUHJBXJJ-KRWDZBQOSA-N 0 0 412.555 4.246 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)c(F)c1 ZINC000561229485 944521639 /nfs/dbraw/zinc/52/16/39/944521639.db2.gz RMJDINJFTNGSMC-LBPRGKRZSA-N 0 0 417.366 4.057 20 30 HIEDRN CC1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561229660 944521879 /nfs/dbraw/zinc/52/18/79/944521879.db2.gz WCFSVAPJILDWPZ-IBGZPJMESA-N 0 0 415.965 4.426 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(NCc3ccc(C)cc3O[C@@H]3CCOC3)c2c1 ZINC000561233387 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N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)cc1F ZINC000561405024 944582494 /nfs/dbraw/zinc/58/24/94/944582494.db2.gz TUYJCWKQPIRXAI-OAQYLSRUSA-N 0 0 421.859 4.389 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)c1ncnc2cc(F)c(Br)cc21 ZINC000561417007 944588336 /nfs/dbraw/zinc/58/83/36/944588336.db2.gz DUGQXSPGLBNING-UHFFFAOYSA-N 0 0 406.255 4.199 20 30 HIEDRN N#Cc1cc(Br)ccc1CSc1nnc(NCc2ccco2)s1 ZINC000561441178 944598837 /nfs/dbraw/zinc/59/88/37/944598837.db2.gz SWJOEQZTUTUKMZ-UHFFFAOYSA-N 0 0 407.318 4.670 20 30 HIEDRN CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1ccccc1C#N)c1cccs1 ZINC000561506927 944642370 /nfs/dbraw/zinc/64/23/70/944642370.db2.gz URSJDIPNCDRLDW-FQEVSTJZSA-N 0 0 403.507 4.420 20 30 HIEDRN C=CCN(c1ccccc1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561526102 944654569 /nfs/dbraw/zinc/65/45/69/944654569.db2.gz STXZZKFBLDUPAU-UHFFFAOYSA-N 0 0 403.301 4.379 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c(Cl)c1 ZINC000561560740 944674232 /nfs/dbraw/zinc/67/42/32/944674232.db2.gz GTRBOBFNFCCQFK-UHFFFAOYSA-N 0 0 417.893 4.400 20 30 HIEDRN N#CCc1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1 ZINC000561581419 944685983 /nfs/dbraw/zinc/68/59/83/944685983.db2.gz KUJOHCMZMAXVHT-ZJSXRUAMSA-N 0 0 416.452 4.073 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000561583285 944688106 /nfs/dbraw/zinc/68/81/06/944688106.db2.gz BRLFFEITPJVEMU-AZUAARDMSA-N 0 0 405.539 4.314 20 30 HIEDRN CCO[C@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCC1 ZINC000561595766 944696219 /nfs/dbraw/zinc/69/62/19/944696219.db2.gz PDEKZHWHBKLAIW-OAQYLSRUSA-N 0 0 417.525 4.236 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000561639889 944722069 /nfs/dbraw/zinc/72/20/69/944722069.db2.gz GAEPZQNAJKEOHQ-OAHLLOKOSA-N 0 0 410.449 4.309 20 30 HIEDRN Cc1cccc2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)sc21 ZINC000561741336 944772704 /nfs/dbraw/zinc/77/27/04/944772704.db2.gz XFNBZBDSDFYHDS-KRWDZBQOSA-N 0 0 407.520 4.235 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC000561758414 944782658 /nfs/dbraw/zinc/78/26/58/944782658.db2.gz BBGWFSFYOANKCB-LJQANCHMSA-N 0 0 404.432 4.320 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NC3(Cc4ccccc4Br)CC3)n2)c1 ZINC000561761303 944783500 /nfs/dbraw/zinc/78/35/00/944783500.db2.gz FEQOBSINIGSGNH-UHFFFAOYSA-N 0 0 421.298 4.012 20 30 HIEDRN N#CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000561796970 944800317 /nfs/dbraw/zinc/80/03/17/944800317.db2.gz COPLRRVKSKQJKQ-UHFFFAOYSA-N 0 0 415.836 4.459 20 30 HIEDRN N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000561816276 944809819 /nfs/dbraw/zinc/80/98/19/944809819.db2.gz FVCHBJHDQIYLMS-UHFFFAOYSA-N 0 0 417.687 4.351 20 30 HIEDRN COc1ccc(Cl)cc1Cc1noc([C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000561858400 944824383 /nfs/dbraw/zinc/82/43/83/944824383.db2.gz VGVZCEGBVXYPLD-CQSZACIVSA-N 0 0 412.852 4.327 20 30 HIEDRN COc1cccc(NC2CCN(Cc3ccc(Br)cc3C#N)CC2)c1 ZINC000561862835 944826789 /nfs/dbraw/zinc/82/67/89/944826789.db2.gz 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855551354 /nfs/dbraw/zinc/55/13/54/855551354.db2.gz XTQXHKYXDOIDOZ-OAQYLSRUSA-N 0 0 416.525 4.038 20 30 HIEDRN Cn1c2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2nc1C(F)F ZINC000409581295 855551382 /nfs/dbraw/zinc/55/13/82/855551382.db2.gz SFAXCLLKEUEOAD-UHFFFAOYSA-N 0 0 407.342 4.311 20 30 HIEDRN C[C@H](C(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409586458 855553708 /nfs/dbraw/zinc/55/37/08/855553708.db2.gz VDYQYOLADBATKI-AWEZNQCLSA-N 0 0 405.395 4.168 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409595959 855558049 /nfs/dbraw/zinc/55/80/49/855558049.db2.gz NSCBSAJCKYUEDG-UHFFFAOYSA-N 0 0 421.444 4.296 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOCCC(C)C ZINC000409602257 855560334 /nfs/dbraw/zinc/56/03/34/855560334.db2.gz FCSZZFKKDNUASY-UHFFFAOYSA-N 0 0 401.320 4.349 20 30 HIEDRN N#Cc1nc(N2CCc3cc(Br)cc(F)c3C2)ccc1C(F)(F)F ZINC000409641660 855578652 /nfs/dbraw/zinc/57/86/52/855578652.db2.gz ZNRDPMAAFFXSBF-UHFFFAOYSA-N 0 0 400.173 4.436 20 30 HIEDRN N#Cc1nc(N2CCN(C(=O)c3cc4ccccc4s3)CC2)ccc1C(F)(F)F ZINC000409642875 855578768 /nfs/dbraw/zinc/57/87/68/855578768.db2.gz ARZQBHCXSYERTO-UHFFFAOYSA-N 0 0 416.428 4.149 20 30 HIEDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000409657380 855587827 /nfs/dbraw/zinc/58/78/27/855587827.db2.gz SDSRIVIFGRVXOV-UHFFFAOYSA-N 0 0 402.498 4.073 20 30 HIEDRN COc1cc(N[C@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)cc(OC)c1 ZINC000409720123 855619552 /nfs/dbraw/zinc/61/95/52/855619552.db2.gz MORIBQUZQDHRCV-ZDUSSCGKSA-N 0 0 406.408 4.070 20 30 HIEDRN Cc1cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1OCC(F)(F)F ZINC000409723865 855621076 /nfs/dbraw/zinc/62/10/76/855621076.db2.gz AIQCIKAHCIPVBG-UHFFFAOYSA-N 0 0 400.360 4.246 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H](c3ccccc3)c3ccc4[nH]cnc4c3)n2)c1 ZINC000409738750 855628873 /nfs/dbraw/zinc/62/88/73/855628873.db2.gz FXRRFBXKZQDENB-XMMPIXPASA-N 0 0 418.460 4.140 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000409754549 855637547 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CFVCOQZYZJIVCQ-JTSKRJEESA-N 0 0 401.466 4.464 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000409910573 855719813 /nfs/dbraw/zinc/71/98/13/855719813.db2.gz MKSCKMXAVMROQI-ZWKOTPCHSA-N 0 0 400.309 4.317 20 30 HIEDRN COc1ccc(-c2nc(C)c(C(=O)N[C@]3(C#N)CCc4ccccc4C3)s2)c(F)c1 ZINC000409956554 855744002 /nfs/dbraw/zinc/74/40/02/855744002.db2.gz CXWXSDVOCCNSCH-HSZRJFAPSA-N 0 0 421.497 4.447 20 30 HIEDRN Cc1cccc2nc(C3CCN(C(=O)c4ccn(-c5cccc(C#N)c5)n4)CC3)oc21 ZINC000409980118 855760084 /nfs/dbraw/zinc/76/00/84/855760084.db2.gz NORXXYDAVLACMU-UHFFFAOYSA-N 0 0 411.465 4.213 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000409983592 855762046 /nfs/dbraw/zinc/76/20/46/855762046.db2.gz MPVUJXAXQBZKMV-OAHLLOKOSA-N 0 0 405.479 4.207 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)c3cnccc3Oc3ccccc3)CC2)nc1 ZINC000409998061 855770657 /nfs/dbraw/zinc/77/06/57/855770657.db2.gz KVBORHVCJOUJMD-UHFFFAOYSA-N 0 0 414.465 4.261 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000410022911 855783471 /nfs/dbraw/zinc/78/34/71/855783471.db2.gz UKRXZBMNAKPLBY-CQSZACIVSA-N 0 0 421.270 4.272 20 30 HIEDRN C=CCn1c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000410053717 855802338 /nfs/dbraw/zinc/80/23/38/855802338.db2.gz HTKMTXAOGGYTGI-UHFFFAOYSA-N 0 0 415.500 4.222 20 30 HIEDRN C=CC[C@H](CO)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000410073917 855808980 /nfs/dbraw/zinc/80/89/80/855808980.db2.gz HNHMXVTUEDAYRS-OAHLLOKOSA-N 0 0 408.285 4.304 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1=O ZINC000410108329 855823459 /nfs/dbraw/zinc/82/34/59/855823459.db2.gz NOJQSAJZMVHKJU-LJQANCHMSA-N 0 0 418.415 4.357 20 30 HIEDRN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410115382 855826828 /nfs/dbraw/zinc/82/68/28/855826828.db2.gz LJWROCSJWDMDBO-HNNXBMFYSA-N 0 0 400.447 4.473 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1C(F)(F)F ZINC000410146307 855837864 /nfs/dbraw/zinc/83/78/64/855837864.db2.gz WDFDOMVYUVRUAB-HKUYNNGSSA-N 0 0 419.428 4.038 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)ccc1C(F)(F)F ZINC000410157235 855843568 /nfs/dbraw/zinc/84/35/68/855843568.db2.gz JBTBICLCDAPSCG-UHFFFAOYSA-N 0 0 404.360 4.033 20 30 HIEDRN COc1ccc2ccccc2c1CNC(=O)NCCSCc1ccccc1C#N ZINC000410176382 855851248 /nfs/dbraw/zinc/85/12/48/855851248.db2.gz KAIFBVVARBCNRE-UHFFFAOYSA-N 0 0 405.523 4.453 20 30 HIEDRN C[C@H](CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000410219626 855866511 /nfs/dbraw/zinc/86/65/11/855866511.db2.gz YDCSRGMYFWQNCN-QGZVFWFLSA-N 0 0 418.497 4.333 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC000410220541 855867539 /nfs/dbraw/zinc/86/75/39/855867539.db2.gz SDKSBLOLGOKMEB-UHFFFAOYSA-N 0 0 404.470 4.074 20 30 HIEDRN N#Cc1cccc(C(=O)Nc2ccc3c(c2)[C@H](NC(=O)c2cccc(C#N)c2)CCC3)c1 ZINC000410226792 855869999 /nfs/dbraw/zinc/86/99/99/855869999.db2.gz FVZUIZUDKWOANL-XMMPIXPASA-N 0 0 420.472 4.490 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3nc(-c4ccccc4)cs3)cc2C1=O ZINC000410296095 855912773 /nfs/dbraw/zinc/91/27/73/855912773.db2.gz HSPVUDWZXNNEPG-AWEZNQCLSA-N 0 0 417.490 4.083 20 30 HIEDRN C[C@@H](Sc1nncn1C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000410345738 855940104 /nfs/dbraw/zinc/94/01/04/855940104.db2.gz DNAVMXKVVFPOOG-CXAGYDPISA-N 0 0 411.918 4.243 20 30 HIEDRN Cn1ccc2c(NC(=O)c3cccc(COc4ccccc4C#N)c3)cccc2c1=O ZINC000410354752 855945858 /nfs/dbraw/zinc/94/58/58/855945858.db2.gz PHNNLEXGHORNCN-UHFFFAOYSA-N 0 0 409.445 4.241 20 30 HIEDRN Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)c1 ZINC000410377655 855961271 /nfs/dbraw/zinc/96/12/71/855961271.db2.gz FLTXDPFMCVMCQH-KRWDZBQOSA-N 0 0 414.465 4.178 20 30 HIEDRN O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(OCC(F)(F)F)n1 ZINC000410396987 855972668 /nfs/dbraw/zinc/97/26/68/855972668.db2.gz DKVSCIQEAGEXCE-UHFFFAOYSA-N 0 0 412.261 4.355 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000425918393 855998712 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HIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000426070797 856085866 /nfs/dbraw/zinc/08/58/66/856085866.db2.gz FDPNNURHGPEMHF-UHFFFAOYSA-N 0 0 405.336 4.296 20 30 HIEDRN C=CCOc1cccc(NC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000426070576 856086203 /nfs/dbraw/zinc/08/62/03/856086203.db2.gz OSLRNBJRUUAUDW-HNNXBMFYSA-N 0 0 408.420 4.243 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F ZINC000437404991 862757229 /nfs/dbraw/zinc/75/72/29/862757229.db2.gz KQHPOLNRXVXVPK-AWEZNQCLSA-N 0 0 419.403 4.444 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)c1 ZINC000426106193 856111220 /nfs/dbraw/zinc/11/12/20/856111220.db2.gz MWWQTYRKTORFIN-IAGOWNOFSA-N 0 0 413.930 4.254 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCOC4(CCOCC4)C3)c2)cc1 ZINC000426107912 856112400 /nfs/dbraw/zinc/11/24/00/856112400.db2.gz CQXSNBKXXDJKJZ-IBGZPJMESA-N 0 0 407.470 4.200 20 30 HIEDRN Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)s1 ZINC000426127393 856124863 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N#CCCCOc1cccc(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1 ZINC000426179176 856159053 /nfs/dbraw/zinc/15/90/53/856159053.db2.gz RPJCXFIUQCMPDA-UHFFFAOYSA-N 0 0 410.232 4.392 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCC[C@H](Oc2ncccc2F)C1)c1ccc(F)c(F)c1 ZINC000426228869 856189840 /nfs/dbraw/zinc/18/98/40/856189840.db2.gz UIHCNMJCXHEHNE-KXBFYZLASA-N 0 0 405.420 4.369 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000426242772 856197903 /nfs/dbraw/zinc/19/79/03/856197903.db2.gz ZUVYSGBZDDXGIA-INIZCTEOSA-N 0 0 409.452 4.060 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)Nc1cc([C@@H]2C[C@@H]2C)[nH]n1 ZINC000426260267 856206971 /nfs/dbraw/zinc/20/69/71/856206971.db2.gz FSUADYNSCLYEIU-SCLBCKFNSA-N 0 0 415.453 4.083 20 30 HIEDRN Cc1sc(NC(=O)CN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000426374772 856264308 /nfs/dbraw/zinc/26/43/08/856264308.db2.gz YMUIIDKDBRDPMR-OAQYLSRUSA-N 0 0 418.522 4.145 20 30 HIEDRN COc1ccc(Cl)cc1NC(=O)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426383948 856267707 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HIEDRN CN(Cc1cccc2[nH]ccc21)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000426484618 856316313 /nfs/dbraw/zinc/31/63/13/856316313.db2.gz LNKQPOQMLOTZPI-UHFFFAOYSA-N 0 0 424.460 4.429 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1cccc2[nH]ccc21 ZINC000426503318 856322224 /nfs/dbraw/zinc/32/22/24/856322224.db2.gz HQZUGEHIKQBJDC-HNNXBMFYSA-N 0 0 406.511 4.159 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)NCC2(c3cccc(F)c3F)CCCC2)c1 ZINC000426514827 856328630 /nfs/dbraw/zinc/32/86/30/856328630.db2.gz OZRLTPMDZMAMAP-UHFFFAOYSA-N 0 0 414.452 4.096 20 30 HIEDRN C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000426521880 856332901 /nfs/dbraw/zinc/33/29/01/856332901.db2.gz INTCEXOFZINNLK-WJDWOHSUSA-N 0 0 416.506 4.182 20 30 HIEDRN CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426533510 856338416 /nfs/dbraw/zinc/33/84/16/856338416.db2.gz QWWVCNLAUFKKSY-UHFFFAOYSA-N 0 0 415.449 4.004 20 30 HIEDRN CC(C)(C)Oc1ccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)nc1 ZINC000426602864 856368079 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CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)Cc1ccccc1C#N ZINC000429892071 857931039 /nfs/dbraw/zinc/93/10/39/857931039.db2.gz SMWOJTLJYVXTJH-UHFFFAOYSA-N 0 0 408.527 4.108 20 30 HIEDRN CC(C)N(Cc1ccco1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000429907574 857938871 /nfs/dbraw/zinc/93/88/71/857938871.db2.gz YUQSHWFXCNWPKK-UHFFFAOYSA-N 0 0 403.438 4.319 20 30 HIEDRN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429973543 857976463 /nfs/dbraw/zinc/97/64/63/857976463.db2.gz NRTXSHUXGXFMBO-QGZVFWFLSA-N 0 0 412.497 4.324 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1)C1CCCCC1 ZINC000429994449 857988545 /nfs/dbraw/zinc/98/85/45/857988545.db2.gz TWHVVVZLJORUCE-UHFFFAOYSA-N 0 0 421.497 4.479 20 30 HIEDRN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000430004178 857992315 /nfs/dbraw/zinc/99/23/15/857992315.db2.gz JWFAMAQWDCXIHQ-OAHLLOKOSA-N 0 0 415.453 4.095 20 30 HIEDRN CC(C)N(CCS(=O)(=O)c1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000430041760 858008197 /nfs/dbraw/zinc/00/81/97/858008197.db2.gz WRZSSFNTJPSAGA-UHFFFAOYSA-N 0 0 421.360 4.005 20 30 HIEDRN Cc1cc(Br)cnc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000430089454 858026223 /nfs/dbraw/zinc/02/62/23/858026223.db2.gz NJKOTRSDNCNNIJ-UHFFFAOYSA-N 0 0 409.243 4.464 20 30 HIEDRN N#C[C@@H]1CC[C@@H](Sc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)C1 ZINC000430096976 858030882 /nfs/dbraw/zinc/03/08/82/858030882.db2.gz SYZSBMNVUIVUDH-NVXWUHKLSA-N 0 0 405.527 4.045 20 30 HIEDRN Cc1ccccc1-n1c2nnc(S[C@H]3CC[C@H](C#N)C3)n2c2ccccc2c1=O ZINC000430115401 858037752 /nfs/dbraw/zinc/03/77/52/858037752.db2.gz GDNZUSYWPRYQAB-HOTGVXAUSA-N 0 0 401.495 4.126 20 30 HIEDRN C[C@H](NC(=O)NCC1(CC#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000430185207 858071143 /nfs/dbraw/zinc/07/11/43/858071143.db2.gz CXZVYBKJQFZLLH-INIZCTEOSA-N 0 0 408.477 4.061 20 30 HIEDRN CC(C)Cn1ncc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1-c1ccccc1 ZINC000430254607 858097435 /nfs/dbraw/zinc/09/74/35/858097435.db2.gz CJGKKCJNIRCIFF-HSZRJFAPSA-N 0 0 414.509 4.291 20 30 HIEDRN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000437651415 862986193 /nfs/dbraw/zinc/98/61/93/862986193.db2.gz NKMACBPBFMGOSJ-OAHLLOKOSA-N 0 0 413.319 4.231 20 30 HIEDRN N#CCC1(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000430356274 858132160 /nfs/dbraw/zinc/13/21/60/858132160.db2.gz UCEGMWIIOKDHFH-UHFFFAOYSA-N 0 0 417.387 4.246 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c(Cl)c1 ZINC000430360617 858132808 /nfs/dbraw/zinc/13/28/08/858132808.db2.gz TYRSEUHHWVSZAR-MRXNPFEDSA-N 0 0 419.815 4.056 20 30 HIEDRN CC1=C[C@H](C)CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000430475729 858186159 /nfs/dbraw/zinc/18/61/59/858186159.db2.gz ZNPITIJFCZMCFM-MGPUTAFESA-N 0 0 407.901 4.359 20 30 HIEDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cccc(SCC#N)c1 ZINC000430588962 858228440 /nfs/dbraw/zinc/22/84/40/858228440.db2.gz BMQLVAXNSJULNO-UHFFFAOYSA-N 0 0 417.918 4.031 20 30 HIEDRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc21 ZINC000430622222 858239883 /nfs/dbraw/zinc/23/98/83/858239883.db2.gz FGNTZKBGCWOYLW-OAHLLOKOSA-N 0 0 413.930 4.178 20 30 HIEDRN COC(=O)CCSCc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000430689117 858270328 /nfs/dbraw/zinc/27/03/28/858270328.db2.gz CDKJYJWLOFSAHA-UHFFFAOYSA-N 0 0 400.525 4.351 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)o1 ZINC000430692328 858271622 /nfs/dbraw/zinc/27/16/22/858271622.db2.gz RDRKFLYDVNSBLO-UHFFFAOYSA-N 0 0 407.499 4.197 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000430720368 858278223 /nfs/dbraw/zinc/27/82/23/858278223.db2.gz JEVDOMLLAJMCKK-VXKWHMMOSA-N 0 0 416.550 4.345 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000430737077 858281808 /nfs/dbraw/zinc/28/18/08/858281808.db2.gz AGHMSSKVOBEIMC-UHFFFAOYSA-N 0 0 423.519 4.355 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccc(-c3csc(C)n3)o2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430754501 858289838 /nfs/dbraw/zinc/28/98/38/858289838.db2.gz NUZQYTBOVSRSAS-IBGZPJMESA-N 0 0 407.495 4.273 20 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ZINC000431097339 858445306 /nfs/dbraw/zinc/44/53/06/858445306.db2.gz MUHLVXASOBYMMR-UHFFFAOYSA-N 0 0 412.287 4.125 20 30 HIEDRN C=CCN1C(=O)N(CCc2coc(-c3ccc(F)cc3)n2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431099481 858446099 /nfs/dbraw/zinc/44/60/99/858446099.db2.gz FVFVPFMJRULVBE-NRFANRHFSA-N 0 0 419.456 4.085 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H]2C[C@H]2C2CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000431164517 858481091 /nfs/dbraw/zinc/48/10/91/858481091.db2.gz XLPQKSXFECXSFK-GOEBONIOSA-N 0 0 423.369 4.445 20 30 HIEDRN CCc1ccc([C@H](NC(=O)c2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000437691378 863029879 /nfs/dbraw/zinc/02/98/79/863029879.db2.gz YXOAFEDTJBEMAK-NRFANRHFSA-N 0 0 424.547 4.105 20 30 HIEDRN C=CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000431243463 858526993 /nfs/dbraw/zinc/52/69/93/858526993.db2.gz DAFJRRWTHNFSLY-UHFFFAOYSA-N 0 0 402.516 4.345 20 30 HIEDRN N#CCCCCNC(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000431291049 858548963 /nfs/dbraw/zinc/54/89/63/858548963.db2.gz PGPBNROLQOGLKG-UHFFFAOYSA-N 0 0 412.902 4.365 20 30 HIEDRN C=CCCC[C@@H](C)N1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000431299430 858553364 /nfs/dbraw/zinc/55/33/64/858553364.db2.gz MZOVGOSCPYACOR-MLGOLLRUSA-N 0 0 404.308 4.138 20 30 HIEDRN N#CCCC[C@H](NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000431308572 858556973 /nfs/dbraw/zinc/55/69/73/858556973.db2.gz VTHINMHBNODWIT-RTWAWAEBSA-N 0 0 405.502 4.027 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CSCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000431322229 858564604 /nfs/dbraw/zinc/56/46/04/858564604.db2.gz WBPWVJUAXJEPDD-UHFFFAOYSA-N 0 0 418.309 4.318 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc1 ZINC000431356187 858577504 /nfs/dbraw/zinc/57/75/04/858577504.db2.gz KYLXAXBVLRBZNH-FQEVSTJZSA-N 0 0 422.529 4.145 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431470088 858631865 /nfs/dbraw/zinc/63/18/65/858631865.db2.gz GHMUGTWZWFYOHS-UXHICEINSA-N 0 0 402.416 4.469 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)c2cc(C(F)(F)F)ccc2Br)c1 ZINC000431499209 858645281 /nfs/dbraw/zinc/64/52/81/858645281.db2.gz DXNCAISDWNPNHI-UHFFFAOYSA-N 0 0 401.157 4.409 20 30 HIEDRN Cc1cc(N[C@H](C)c2ncc(Br)cn2)n2c3ccccc3nc2c1C#N ZINC000431507911 858648869 /nfs/dbraw/zinc/64/88/69/858648869.db2.gz VTNCKXAUZAVYGE-GFCCVEGCSA-N 0 0 407.275 4.393 20 30 HIEDRN Cc1cc(N[C@@H](C)c2ncc(Br)cn2)n2c3ccccc3nc2c1C#N ZINC000431507912 858649009 /nfs/dbraw/zinc/64/90/09/858649009.db2.gz VTNCKXAUZAVYGE-LBPRGKRZSA-N 0 0 407.275 4.393 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000431570281 858673246 /nfs/dbraw/zinc/67/32/46/858673246.db2.gz LZIJKDNKZJYPHN-UHFFFAOYSA-N 0 0 406.660 4.411 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2cc(Br)ccc2Br)c(Cl)c1 ZINC000431579526 858675964 /nfs/dbraw/zinc/67/59/64/858675964.db2.gz PKRYAQWSGNPWAS-UHFFFAOYSA-N 0 0 415.472 4.384 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)c2)cc1 ZINC000431604221 858685688 /nfs/dbraw/zinc/68/56/88/858685688.db2.gz MKLVPUSDRSADFW-OAQYLSRUSA-N 0 0 418.884 4.302 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1cccc(Br)c1F)c1ccccc1 ZINC000431622731 858695429 /nfs/dbraw/zinc/69/54/29/858695429.db2.gz GYIBGASFDXFGCU-HNNXBMFYSA-N 0 0 411.296 4.302 20 30 HIEDRN CCOc1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OCC ZINC000431634537 858702220 /nfs/dbraw/zinc/70/22/20/858702220.db2.gz HEINNFNGOGKARL-IBGZPJMESA-N 0 0 402.516 4.197 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccccc1 ZINC000431642520 858706521 /nfs/dbraw/zinc/70/65/21/858706521.db2.gz FGHVZPPAPJHUHX-GOSISDBHSA-N 0 0 407.333 4.304 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)CC2)c1 ZINC000431735864 858773475 /nfs/dbraw/zinc/77/34/75/858773475.db2.gz LVJPYHRUBJDDTI-IBGZPJMESA-N 0 0 424.932 4.043 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000431748892 858785747 /nfs/dbraw/zinc/78/57/47/858785747.db2.gz ARFMXDLUJHRXBI-GOSISDBHSA-N 0 0 414.893 4.225 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000431752143 858788134 /nfs/dbraw/zinc/78/81/34/858788134.db2.gz GQYNBOXEQNSOCN-CYBMUJFWSA-N 0 0 403.404 4.134 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)c1ccccc1 ZINC000431810393 858822869 /nfs/dbraw/zinc/82/28/69/858822869.db2.gz GZRDHMBNSADGSC-QGZVFWFLSA-N 0 0 406.408 4.257 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000431852301 858840014 /nfs/dbraw/zinc/84/00/14/858840014.db2.gz WDULXLSBYLIDEP-QFIPXVFZSA-N 0 0 414.465 4.397 20 30 HIEDRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431855391 858841560 /nfs/dbraw/zinc/84/15/60/858841560.db2.gz RXTWRJGZCSKGLA-UHFFFAOYSA-N 0 0 405.479 4.228 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000431867849 858846740 /nfs/dbraw/zinc/84/67/40/858846740.db2.gz DJGODXBHWSJXHW-UHFFFAOYSA-N 0 0 411.527 4.072 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000431868639 858847263 /nfs/dbraw/zinc/84/72/63/858847263.db2.gz NXLRVANPGMGLDA-KETPHWKMSA-N 0 0 421.500 4.219 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCCCCn1cc(Br)cn1)c1ccccc1 ZINC000431908486 858865003 /nfs/dbraw/zinc/86/50/03/858865003.db2.gz CENAGTMGUSTLBZ-GOSISDBHSA-N 0 0 418.339 4.160 20 30 HIEDRN CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000431914575 858868441 /nfs/dbraw/zinc/86/84/41/858868441.db2.gz SWHCIMMNJCMYEX-QHCPKHFHSA-N 0 0 420.538 4.272 20 30 HIEDRN CC(C)c1nn(C)cc1NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000431933787 858877184 /nfs/dbraw/zinc/87/71/84/858877184.db2.gz BGVWCBUDUVOXQP-UHFFFAOYSA-N 0 0 402.458 4.311 20 30 HIEDRN CC(C)(C)[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000431942181 858880442 /nfs/dbraw/zinc/88/04/42/858880442.db2.gz YPMNYBPCFDWPSL-INIZCTEOSA-N 0 0 415.588 4.992 20 30 HIEDRN CC(C)(C)CC[C@H](CO)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000431943663 858881084 /nfs/dbraw/zinc/88/10/84/858881084.db2.gz UYVCKSXFUGGBSZ-HXUWFJFHSA-N 0 0 408.502 4.119 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431944740 858881293 /nfs/dbraw/zinc/88/12/93/858881293.db2.gz ZBANBZGDOGVABU-XPWALMASSA-N 0 0 404.510 4.277 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)N3Cc4ccccc4C3)cc2)cc1 ZINC000431973253 858896253 /nfs/dbraw/zinc/89/62/53/858896253.db2.gz PIDWLHSUEUZIHP-UHFFFAOYSA-N 0 0 412.449 4.014 20 30 HIEDRN Cc1cccc(CC2(O)CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000431988021 858906719 /nfs/dbraw/zinc/90/67/19/858906719.db2.gz VHNACOBHNZVQHQ-UHFFFAOYSA-N 0 0 407.514 4.255 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000467540760 881361510 /nfs/dbraw/zinc/36/15/10/881361510.db2.gz CUYRGUYBBMDLFL-CXAGYDPISA-N 0 0 423.344 4.038 20 30 HIEDRN C=CCN1C(=O)N(C[C@H](OC(C)C)c2ccccc2OC)C(=O)[C@H]1Cc1ccccc1 ZINC000432034865 858942249 /nfs/dbraw/zinc/94/22/49/858942249.db2.gz CENJXQSMAWIUBV-GGAORHGYSA-N 0 0 422.525 4.223 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000432058969 858956954 /nfs/dbraw/zinc/95/69/54/858956954.db2.gz DBFDRKYPWGMGAK-UHFFFAOYSA-N 0 0 412.530 4.086 20 30 HIEDRN N#Cc1cc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccc1F ZINC000432059637 858958717 /nfs/dbraw/zinc/95/87/17/858958717.db2.gz HPUJUEPWCYMZLJ-OAHLLOKOSA-N 0 0 401.747 4.225 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@]2(CCOC2)O1 ZINC000432063655 858960798 /nfs/dbraw/zinc/96/07/98/858960798.db2.gz OSFBFJAMAUERRP-XXBNENTESA-N 0 0 407.470 4.152 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000432099093 858988144 /nfs/dbraw/zinc/98/81/44/858988144.db2.gz PQCXLWBTGDHAAH-PZTGFMGMSA-N 0 0 403.548 4.129 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000432104413 858992624 /nfs/dbraw/zinc/99/26/24/858992624.db2.gz ZQMPYZZIYUQOKL-IIBYNOLFSA-N 0 0 403.548 4.130 20 30 HIEDRN CN(c1ccccc1)c1cc(N2CCC(Oc3ccc(C#N)cc3F)CC2)ncn1 ZINC000432170258 859029237 /nfs/dbraw/zinc/02/92/37/859029237.db2.gz RECVQORXANQSTK-UHFFFAOYSA-N 0 0 403.461 4.303 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000432259898 859073580 /nfs/dbraw/zinc/07/35/80/859073580.db2.gz VGUSRQWRQYXYBF-GFCCVEGCSA-N 0 0 416.275 4.283 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000432267123 859076633 /nfs/dbraw/zinc/07/66/33/859076633.db2.gz JYINQKBSGXYSRK-SFHVURJKSA-N 0 0 406.429 4.493 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000432277129 859080403 /nfs/dbraw/zinc/08/04/03/859080403.db2.gz MULABNZXVBBPHN-OAHLLOKOSA-N 0 0 404.392 4.166 20 30 HIEDRN N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c(F)c1 ZINC000432299432 859091363 /nfs/dbraw/zinc/09/13/63/859091363.db2.gz PRFLYLWTWVJAOU-LBPRGKRZSA-N 0 0 402.344 4.081 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000432335986 859108094 /nfs/dbraw/zinc/10/80/94/859108094.db2.gz LOFYZOZJDTZSAY-SFHVURJKSA-N 0 0 424.476 4.036 20 30 HIEDRN CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)Nc1cccc(C#N)c1 ZINC000432354545 859118082 /nfs/dbraw/zinc/11/80/82/859118082.db2.gz YBSIOLJWIZEDBT-UHFFFAOYSA-N 0 0 407.651 4.194 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CSc1nnc2n(C)c3ccccc3n12 ZINC000432378262 859131002 /nfs/dbraw/zinc/13/10/02/859131002.db2.gz PYJYEHDIZJUQRG-UHFFFAOYSA-N 0 0 409.540 4.230 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000432386049 859137837 /nfs/dbraw/zinc/13/78/37/859137837.db2.gz KFDCJDVAONYVLC-UHFFFAOYSA-N 0 0 404.514 4.281 20 30 HIEDRN C=CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@H](Cc2ccccn2)C1=O ZINC000432391695 859141131 /nfs/dbraw/zinc/14/11/31/859141131.db2.gz MTHRHHMBOYHEHI-MSOLQXFVSA-N 0 0 403.404 4.271 20 30 HIEDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432400699 859145918 /nfs/dbraw/zinc/14/59/18/859145918.db2.gz KPKYEPIIMAKODF-UHFFFAOYSA-N 0 0 404.514 4.248 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)cn1 ZINC000432439435 859165187 /nfs/dbraw/zinc/16/51/87/859165187.db2.gz GPFVPYDQDPENPJ-UHFFFAOYSA-N 0 0 404.861 4.114 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 ZINC000432459937 859172577 /nfs/dbraw/zinc/17/25/77/859172577.db2.gz BHHIEXHAOBWCMA-UHFFFAOYSA-N 0 0 421.265 4.248 20 30 HIEDRN Cc1cnc(C2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)s1 ZINC000432466754 859177228 /nfs/dbraw/zinc/17/72/28/859177228.db2.gz UTHYFLREKNVXCY-UHFFFAOYSA-N 0 0 400.573 4.142 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1 ZINC000432470910 859180269 /nfs/dbraw/zinc/18/02/69/859180269.db2.gz VUSJESUITPRINT-UHFFFAOYSA-N 0 0 421.265 4.248 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)NCC1(CC#N)CC1)C(F)(F)F ZINC000432480083 859185433 /nfs/dbraw/zinc/18/54/33/859185433.db2.gz UMLKQHODJZDRKW-QGZVFWFLSA-N 0 0 405.424 4.086 20 30 HIEDRN C=CCCCCCN(C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000432494734 859193046 /nfs/dbraw/zinc/19/30/46/859193046.db2.gz FRLFAAVGDFXASY-UHFFFAOYSA-N 0 0 424.383 4.174 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000432493976 859193391 /nfs/dbraw/zinc/19/33/91/859193391.db2.gz LZNIIEMIELVREG-UHFFFAOYSA-N 0 0 400.438 4.493 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432508391 859200463 /nfs/dbraw/zinc/20/04/63/859200463.db2.gz CFHGLHPQXFOFMG-ZWKOTPCHSA-N 0 0 406.530 4.138 20 30 HIEDRN N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(-c2ccncc2)n1 ZINC000432508916 859200708 /nfs/dbraw/zinc/20/07/08/859200708.db2.gz HEAIDKLVBWSNRQ-QHCPKHFHSA-N 0 0 424.464 4.218 20 30 HIEDRN C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ncc(Br)cn1 ZINC000432524197 859207815 /nfs/dbraw/zinc/20/78/15/859207815.db2.gz QDMTXQWTQHXIPV-CJNGLKHVSA-N 0 0 402.296 4.034 20 30 HIEDRN CCOc1cc2c(cc1NC(=O)CCCC(=O)Nc1ccccc1C#N)O[C@H](C)C2 ZINC000432533897 859213967 /nfs/dbraw/zinc/21/39/67/859213967.db2.gz HXAIVRUASOGEFE-OAHLLOKOSA-N 0 0 407.470 4.028 20 30 HIEDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432577647 859235458 /nfs/dbraw/zinc/23/54/58/859235458.db2.gz ZGPWOHBFCIMVLT-UHFFFAOYSA-N 0 0 419.403 4.224 20 30 HIEDRN COc1ccc([C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000432597143 859246378 /nfs/dbraw/zinc/24/63/78/859246378.db2.gz XKGNCGMKLUYKBW-OAQYLSRUSA-N 0 0 421.497 4.048 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCCCc3ccccc3F)ccc21 ZINC000432604648 859250386 /nfs/dbraw/zinc/25/03/86/859250386.db2.gz VBKOKUHARPBWGN-UHFFFAOYSA-N 0 0 408.477 4.163 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000432720887 859318251 /nfs/dbraw/zinc/31/82/51/859318251.db2.gz XXKFAKMRYUOYQH-UHFFFAOYSA-N 0 0 419.525 4.122 20 30 HIEDRN CCOc1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C(F)(F)F)c1 ZINC000432760556 859340586 /nfs/dbraw/zinc/34/05/86/859340586.db2.gz OHUINPIYTPLAMS-HNNXBMFYSA-N 0 0 420.391 4.056 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000432769841 859350525 /nfs/dbraw/zinc/35/05/25/859350525.db2.gz PZMQUXSXXQLLEN-UHFFFAOYSA-N 0 0 411.477 4.398 20 30 HIEDRN Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc(C#N)c3C)[nH]c(=O)c2c1C ZINC000432837097 859380491 /nfs/dbraw/zinc/38/04/91/859380491.db2.gz QNJBQONCXGLDEV-CYBMUJFWSA-N 0 0 412.540 4.454 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000432847211 859386239 /nfs/dbraw/zinc/38/62/39/859386239.db2.gz NQMQRFJMKFXXET-QGZVFWFLSA-N 0 0 422.529 4.120 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2nncn2C(C)C)cc1 ZINC000432847817 859386521 /nfs/dbraw/zinc/38/65/21/859386521.db2.gz QTVMXMJWJIWNGM-UHFFFAOYSA-N 0 0 420.473 4.195 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1Br ZINC000432864323 859395303 /nfs/dbraw/zinc/39/53/03/859395303.db2.gz HIGXTWWRKLPSIW-IBGZPJMESA-N 0 0 417.328 4.161 20 30 HIEDRN COc1ccncc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000432869669 859398493 /nfs/dbraw/zinc/39/84/93/859398493.db2.gz YYNOSAIISPZMEX-UHFFFAOYSA-N 0 0 402.454 4.171 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000432886208 859408349 /nfs/dbraw/zinc/40/83/49/859408349.db2.gz NUZOYSVUQDOKEO-KKSFZXQISA-N 0 0 410.539 4.451 20 30 HIEDRN COc1ccc([C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)c2ccc(F)cc2)cc1 ZINC000432894986 859414233 /nfs/dbraw/zinc/41/42/33/859414233.db2.gz YWBMJVAUKSBYOE-HSZRJFAPSA-N 0 0 403.457 4.291 20 30 HIEDRN C=CCNc1ncc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)s1 ZINC000432916538 859429260 /nfs/dbraw/zinc/42/92/60/859429260.db2.gz ICCHQOCXMTYKKK-UHFFFAOYSA-N 0 0 418.975 5.024 20 30 HIEDRN COc1ccncc1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000432919376 859429951 /nfs/dbraw/zinc/42/99/51/859429951.db2.gz UGIHPQRUXRBZGR-UHFFFAOYSA-N 0 0 402.454 4.057 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](O)C23CCCC3)cc1 ZINC000432923600 859432621 /nfs/dbraw/zinc/43/26/21/859432621.db2.gz TZWLSCGIBUFTDL-JOCHJYFZSA-N 0 0 405.498 4.243 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000432939687 859438854 /nfs/dbraw/zinc/43/88/54/859438854.db2.gz RTQSCHMHDRDGSX-UHFFFAOYSA-N 0 0 416.428 4.149 20 30 HIEDRN C=CCN(Cc1nc(C(=O)OCC)cs1)Cc1cc(Br)ccc1F ZINC000432942640 859440290 /nfs/dbraw/zinc/44/02/90/859440290.db2.gz BWPDHROJQANXKU-UHFFFAOYSA-N 0 0 413.312 4.410 20 30 HIEDRN O=S(=O)(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccccc1C(F)(F)F ZINC000432952081 859444888 /nfs/dbraw/zinc/44/48/88/859444888.db2.gz XNGBYAQNQZFFSW-ZDUSSCGKSA-N 0 0 401.303 4.268 20 30 HIEDRN COC(=O)c1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(OC)c(OC)c1 ZINC000432953004 859445096 /nfs/dbraw/zinc/44/50/96/859445096.db2.gz CPLLIDLFPTWRLC-QGZVFWFLSA-N 0 0 411.458 4.047 20 30 HIEDRN CC(C)c1nc(C2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)no1 ZINC000432962776 859450670 /nfs/dbraw/zinc/45/06/70/859450670.db2.gz XQCBAUTVHOTUBX-UHFFFAOYSA-N 0 0 407.396 4.495 20 30 HIEDRN C=CCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2S(=O)(=O)CC)cc1 ZINC000432989705 859465696 /nfs/dbraw/zinc/46/56/96/859465696.db2.gz UAAXDLWCJCGJSD-UHFFFAOYSA-N 0 0 413.499 4.206 20 30 HIEDRN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000432992144 859466908 /nfs/dbraw/zinc/46/69/08/859466908.db2.gz IQULCHHZHOOMNM-LJQANCHMSA-N 0 0 424.476 4.258 20 30 HIEDRN CS(=O)(=O)c1ccc(-c2nc(CN[C@H](CCCC#N)c3ccccc3)co2)cc1 ZINC000433025661 859487198 /nfs/dbraw/zinc/48/71/98/859487198.db2.gz AGPFWOVZRJMRET-OAQYLSRUSA-N 0 0 409.511 4.270 20 30 HIEDRN Cc1nc(C)n(Cc2cccc(NC(=O)N[C@H](CCCC#N)c3ccccc3)c2)n1 ZINC000433033566 859490542 /nfs/dbraw/zinc/49/05/42/859490542.db2.gz QCLHWHMFVYMHCU-JOCHJYFZSA-N 0 0 402.502 4.500 20 30 HIEDRN CC1(C)CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H](C(F)(F)F)O1 ZINC000433133781 859534704 /nfs/dbraw/zinc/53/47/04/859534704.db2.gz PGSOPJJAKVDYNM-GOSISDBHSA-N 0 0 403.404 4.055 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccccc1 ZINC000433136583 859535592 /nfs/dbraw/zinc/53/55/92/859535592.db2.gz YDJSDIQSCIDTJY-OAQYLSRUSA-N 0 0 416.481 4.249 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000433145229 859538765 /nfs/dbraw/zinc/53/87/65/859538765.db2.gz GAODAZOECRPQPK-WBVHZDCISA-N 0 0 407.499 4.033 20 30 HIEDRN CC(C)(C)c1nc2cc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2o1 ZINC000433146142 859539842 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C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000433630233 859817567 /nfs/dbraw/zinc/81/75/67/859817567.db2.gz FBGNGESASVRTCO-QVKFZJNVSA-N 0 0 418.522 4.461 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)c(F)c1 ZINC000433639245 859820665 /nfs/dbraw/zinc/82/06/65/859820665.db2.gz XJGLRXVNSVSHBL-MRXNPFEDSA-N 0 0 420.872 4.333 20 30 HIEDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000433654441 859825697 /nfs/dbraw/zinc/82/56/97/859825697.db2.gz RBPOFVXTRUAGHZ-UHFFFAOYSA-N 0 0 405.882 4.082 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)C1=O ZINC000433693286 859840126 /nfs/dbraw/zinc/84/01/26/859840126.db2.gz CIVODLPGEBTJRM-DNVCBOLYSA-N 0 0 406.511 4.132 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](Nc3ccc(Cl)cc3NC(=O)c3ccco3)C2=O)cc1 ZINC000433694302 859840130 /nfs/dbraw/zinc/84/01/30/859840130.db2.gz MZDLZKFDAKSHRH-GOSISDBHSA-N 0 0 420.856 4.274 20 30 HIEDRN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000433695155 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HIEDRN Cc1c(Br)cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c(=O)n1C ZINC000433978103 860013676 /nfs/dbraw/zinc/01/36/76/860013676.db2.gz YIYXINQWMSXKNY-LLVKDONJSA-N 0 0 420.332 4.103 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccc(I)c(Cl)c2)[C@@H]1C#N ZINC000434010647 860037180 /nfs/dbraw/zinc/03/71/80/860037180.db2.gz FMUVVRADPFEAPJ-CYBMUJFWSA-N 0 0 402.663 4.099 20 30 HIEDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000434019013 860043239 /nfs/dbraw/zinc/04/32/39/860043239.db2.gz UUWNABZVVURQEV-UEXGIBASSA-N 0 0 411.546 4.009 20 30 HIEDRN CC1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)[C@@H]1C#N ZINC000434022331 860044838 /nfs/dbraw/zinc/04/48/38/860044838.db2.gz QAZNAIBRLQJFEY-DENIHFKCSA-N 0 0 403.526 4.233 20 30 HIEDRN CC1(C)CCCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)[C@H]1C#N ZINC000434025384 860047234 /nfs/dbraw/zinc/04/72/34/860047234.db2.gz NDDQTOJLLZWCIC-KRWDZBQOSA-N 0 0 403.935 4.459 20 30 HIEDRN Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c12 ZINC000434027135 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ZINC000434315928 860275366 /nfs/dbraw/zinc/27/53/66/860275366.db2.gz KPHATDBJFMGKAD-OAQYLSRUSA-N 0 0 422.550 4.312 20 30 HIEDRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)[nH]n2)cc1OC ZINC000434321103 860280870 /nfs/dbraw/zinc/28/08/70/860280870.db2.gz JTOCOGUJAFOQQK-WIYYLYMNSA-N 0 0 416.481 4.006 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000434326514 860287166 /nfs/dbraw/zinc/28/71/66/860287166.db2.gz NAOXWWGICAOIEP-LIRRHRJNSA-N 0 0 422.378 4.265 20 30 HIEDRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)NCCOCC(F)(F)C(F)F ZINC000434356538 860307645 /nfs/dbraw/zinc/30/76/45/860307645.db2.gz WYNISOKTIDCRER-UHFFFAOYSA-N 0 0 418.353 4.243 20 30 HIEDRN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c2ccccc21 ZINC000434416477 860341067 /nfs/dbraw/zinc/34/10/67/860341067.db2.gz OUNACBXHGLTNHX-QGZVFWFLSA-N 0 0 411.461 4.226 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1C ZINC000434467873 860363149 /nfs/dbraw/zinc/36/31/49/860363149.db2.gz 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CC[C@@H](c1nnc(S[C@@H]2CCN(c3sccc3C#N)C2=O)o1)c1ccccc1 ZINC000434807654 860501854 /nfs/dbraw/zinc/50/18/54/860501854.db2.gz MEXRILCAVJAILQ-HZPDHXFCSA-N 0 0 410.524 4.442 20 30 HIEDRN Cc1oc(NC(=O)CN(Cc2cccc(Br)c2)C(C)C)c(C#N)c1C ZINC000434827332 860509411 /nfs/dbraw/zinc/50/94/11/860509411.db2.gz JHIOULUKIVARPM-UHFFFAOYSA-N 0 0 404.308 4.380 20 30 HIEDRN CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000434855092 860523367 /nfs/dbraw/zinc/52/33/67/860523367.db2.gz ZXLCIJXCJZIFSZ-HNNXBMFYSA-N 0 0 412.559 4.431 20 30 HIEDRN COC(=O)[C@@H](NCc1cccc(NC(=O)C2CCCCC2)c1)c1cccc(C#N)c1 ZINC000434876599 860530734 /nfs/dbraw/zinc/53/07/34/860530734.db2.gz YXLDPRHMZWEVOP-QFIPXVFZSA-N 0 0 405.498 4.081 20 30 HIEDRN N#Cc1cccc(CNC(=O)CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 ZINC000434877852 860531119 /nfs/dbraw/zinc/53/11/19/860531119.db2.gz AZRZAQBPOQEAJZ-UHFFFAOYSA-N 0 0 424.507 4.407 20 30 HIEDRN COC(=O)[C@H](NCc1ccc(CN2CCc3ccccc32)cc1)c1cccc(C#N)c1 ZINC000434881370 860532576 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HIEDRN Cc1nc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)sc1SCC#N ZINC000435069134 860627052 /nfs/dbraw/zinc/62/70/52/860627052.db2.gz YEDFSBLXNMWFKC-UHFFFAOYSA-N 0 0 409.924 4.066 20 30 HIEDRN Cc1cc(S(C)(=O)=O)cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000435068752 860627262 /nfs/dbraw/zinc/62/72/62/860627262.db2.gz WPSJDXOXOHLUME-CTNGQTDRSA-N 0 0 411.527 4.011 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccccc1 ZINC000435113515 860647954 /nfs/dbraw/zinc/64/79/54/860647954.db2.gz KWMXLAIIIHJNEM-RTWAWAEBSA-N 0 0 406.530 4.458 20 30 HIEDRN Cc1cc(N2CCSCC2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000435134700 860657668 /nfs/dbraw/zinc/65/76/68/860657668.db2.gz JQLUEMQBVNZQJH-UHFFFAOYSA-N 0 0 418.570 4.333 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000435137502 860659374 /nfs/dbraw/zinc/65/93/74/860659374.db2.gz DPNXOXWDVINPBX-AWEZNQCLSA-N 0 0 411.506 4.202 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000435137623 860659468 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CN(Cc1cccc(C#N)c1)C(=O)NCCc1cc(Cl)ccc1Br ZINC000435167313 860674948 /nfs/dbraw/zinc/67/49/48/860674948.db2.gz XPWHLRYIQRPMGM-UHFFFAOYSA-N 0 0 406.711 4.358 20 30 HIEDRN CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435169149 860675496 /nfs/dbraw/zinc/67/54/96/860675496.db2.gz SABMDDLLSKIOQJ-IBGZPJMESA-N 0 0 423.460 4.169 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c2)cc1 ZINC000435202162 860693490 /nfs/dbraw/zinc/69/34/90/860693490.db2.gz KFPJOCBMPVAVRT-FCHUYYIVSA-N 0 0 415.424 4.100 20 30 HIEDRN C=CCC[C@H](NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)c1ccccc1 ZINC000435275016 860712522 /nfs/dbraw/zinc/71/25/22/860712522.db2.gz OBMYKFPRNBZBPG-INIZCTEOSA-N 0 0 401.392 4.118 20 30 HIEDRN C=CCC[C@@H](NC(=O)c1ccc(OCc2cnn(C)c2)c(OC)c1)c1ccccc1 ZINC000435286294 860719276 /nfs/dbraw/zinc/71/92/76/860719276.db2.gz CPLJCBNNRSDAGN-OAQYLSRUSA-N 0 0 405.498 4.445 20 30 HIEDRN CC(=Cc1ccc(Br)c(Br)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339590 860749364 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HIEDRN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(OC(C)C)c(C#N)c3)n2)cc1 ZINC000435389559 860781466 /nfs/dbraw/zinc/78/14/66/860781466.db2.gz LOUUNMQNNICLSN-UHFFFAOYSA-N 0 0 420.469 4.365 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000435407339 860788950 /nfs/dbraw/zinc/78/89/50/860788950.db2.gz JRUGAKDNTFHHIW-XZOQPEGZSA-N 0 0 408.546 4.161 20 30 HIEDRN Cc1sc(CNS(=O)(=O)c2ccc(C#N)s2)nc1-c1ccc(Cl)cc1 ZINC000435435669 860798131 /nfs/dbraw/zinc/79/81/31/860798131.db2.gz BOXCKELOCRWRLV-UHFFFAOYSA-N 0 0 409.945 4.184 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435441124 860800030 /nfs/dbraw/zinc/80/00/30/860800030.db2.gz AAFGLSSWGNBBEK-ZBEGNZNMSA-N 0 0 400.447 4.410 20 30 HIEDRN CCN(C(=O)c1cc(C#N)oc1C)c1ccc(NC(=O)c2cc(C#N)oc2C)cc1 ZINC000435454151 860804211 /nfs/dbraw/zinc/80/42/11/860804211.db2.gz PCVRPXGTDPRSOF-UHFFFAOYSA-N 0 0 402.410 4.152 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000435456256 860804899 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4.327 20 30 HIEDRN CCN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435492699 860820994 /nfs/dbraw/zinc/82/09/94/860820994.db2.gz GAKBHJXALNYKOC-UHFFFAOYSA-N 0 0 415.493 4.486 20 30 HIEDRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435507229 860827268 /nfs/dbraw/zinc/82/72/68/860827268.db2.gz KQNUQWQPHWBSDJ-JOCHJYFZSA-N 0 0 407.514 4.448 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c(C)n2)cc1 ZINC000435520703 860838808 /nfs/dbraw/zinc/83/88/08/860838808.db2.gz DOKQEJGWUJOYTB-UHFFFAOYSA-N 0 0 414.509 4.311 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cc1C#N ZINC000435546756 860861152 /nfs/dbraw/zinc/86/11/52/860861152.db2.gz WPLMLEGUMJZNAZ-HNNXBMFYSA-N 0 0 405.458 4.202 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2CCC)cc1 ZINC000435548775 860864179 /nfs/dbraw/zinc/86/41/79/860864179.db2.gz HEZFRDJGUYLSQQ-UHFFFAOYSA-N 0 0 402.498 4.301 20 30 HIEDRN Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000435550615 860865862 /nfs/dbraw/zinc/86/58/62/860865862.db2.gz PKCGUBBKSIVSNO-UHFFFAOYSA-N 0 0 420.513 4.080 20 30 HIEDRN Cc1ccc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(OC[C@@H]2CCOC2)c1 ZINC000435558333 860878768 /nfs/dbraw/zinc/87/87/68/860878768.db2.gz VWXNPVZBGRYMLZ-GOSISDBHSA-N 0 0 423.513 4.391 20 30 HIEDRN N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000435588462 860898715 /nfs/dbraw/zinc/89/87/15/860898715.db2.gz LEOPMLYSCCIKNW-JCNLHEQBSA-N 0 0 412.408 4.082 20 30 HIEDRN N#CC1(CS(=O)(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CCCCC1 ZINC000435594489 860901431 /nfs/dbraw/zinc/90/14/31/860901431.db2.gz ATXZIVSUYZMJBI-JCNLHEQBSA-N 0 0 400.466 4.345 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C ZINC000435599065 860904043 /nfs/dbraw/zinc/90/40/43/860904043.db2.gz RETNRVYESGPGGI-AWEZNQCLSA-N 0 0 413.449 4.128 20 30 HIEDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000435626536 860925569 /nfs/dbraw/zinc/92/55/69/860925569.db2.gz JTXNNMHNBWITAC-QGZVFWFLSA-N 0 0 407.367 4.168 20 30 HIEDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000435631375 860926707 /nfs/dbraw/zinc/92/67/07/860926707.db2.gz COQJBJQMNRQRRJ-INIZCTEOSA-N 0 0 407.367 4.312 20 30 HIEDRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435631313 860927659 /nfs/dbraw/zinc/92/76/59/860927659.db2.gz BUUMYBAZXNLTNF-HXUWFJFHSA-N 0 0 411.477 4.328 20 30 HIEDRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435654448 860937827 /nfs/dbraw/zinc/93/78/27/860937827.db2.gz JSAWJMHSHZNGID-QGZVFWFLSA-N 0 0 401.441 4.426 20 30 HIEDRN C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)OC(C)(C)C ZINC000435668413 860946823 /nfs/dbraw/zinc/94/68/23/860946823.db2.gz YMMRSSIRGPLNNA-INIZCTEOSA-N 0 0 409.486 4.183 20 30 HIEDRN C=CCC[C@@H](NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)c1ccccc1 ZINC000435674060 860953807 /nfs/dbraw/zinc/95/38/07/860953807.db2.gz XIZNQLBGENLLIR-LJQANCHMSA-N 0 0 417.506 4.195 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cn3)cc2)cc1 ZINC000435694137 860976672 /nfs/dbraw/zinc/97/66/72/860976672.db2.gz KYROXICJTXLFMG-UHFFFAOYSA-N 0 0 412.449 4.319 20 30 HIEDRN C=CCC[C@@H](NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)c1ccccc1 ZINC000435729501 861011505 /nfs/dbraw/zinc/01/15/05/861011505.db2.gz UQHJWFAZVRVFPT-GOSISDBHSA-N 0 0 422.554 4.266 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1 ZINC000435730490 861013107 /nfs/dbraw/zinc/01/31/07/861013107.db2.gz HGLPIOOTCDBWKS-FGZHOGPDSA-N 0 0 408.498 4.007 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1 ZINC000435730492 861014036 /nfs/dbraw/zinc/01/40/36/861014036.db2.gz HGLPIOOTCDBWKS-YADHBBJMSA-N 0 0 408.498 4.007 20 30 HIEDRN CS[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000435733651 861015323 /nfs/dbraw/zinc/01/53/23/861015323.db2.gz URRNPXVYFYBXET-HXUWFJFHSA-N 0 0 409.511 4.033 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1 ZINC000435739513 861020632 /nfs/dbraw/zinc/02/06/32/861020632.db2.gz AXIVGFVNEPTGLF-RDTXWAMCSA-N 0 0 408.424 4.302 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000435742993 861023770 /nfs/dbraw/zinc/02/37/70/861023770.db2.gz XTQQAHGDYGPHIN-GOSISDBHSA-N 0 0 406.404 4.390 20 30 HIEDRN Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000435746968 861027782 /nfs/dbraw/zinc/02/77/82/861027782.db2.gz CMCOLKSIFJJUQU-VXKWHMMOSA-N 0 0 419.525 4.241 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000435755918 861034128 /nfs/dbraw/zinc/03/41/28/861034128.db2.gz NPVVOVIMYLGDEY-LAUBAEHRSA-N 0 0 415.559 4.005 20 30 HIEDRN CC(C)Cn1cc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C(F)F)n1 ZINC000435890956 861147726 /nfs/dbraw/zinc/14/77/26/861147726.db2.gz YCYZODDPIDHUNA-NSHDSACASA-N 0 0 407.490 4.338 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](O)Cc1ccccc1 ZINC000437750817 863074809 /nfs/dbraw/zinc/07/48/09/863074809.db2.gz JUBNWIKCGWUWOB-SBUREZEXSA-N 0 0 401.466 4.464 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437763693 863084551 /nfs/dbraw/zinc/08/45/51/863084551.db2.gz MNQGPQPXRZLYLR-RCOXNQKVSA-N 0 0 423.960 4.283 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000437766980 863085554 /nfs/dbraw/zinc/08/55/54/863085554.db2.gz YFCLZVGKKJEXOD-VXKWHMMOSA-N 0 0 402.498 4.113 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3C[C@H]3C3CCCCC3)s2)cc1 ZINC000437801367 863123250 /nfs/dbraw/zinc/12/32/50/863123250.db2.gz KUJHXWHXNONSLB-DLBZAZTESA-N 0 0 413.572 4.792 20 30 HIEDRN Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000437811644 863139679 /nfs/dbraw/zinc/13/96/79/863139679.db2.gz RZDUQOAWOYKRBT-UHFFFAOYSA-N 0 0 423.856 4.209 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)s2)cc1 ZINC000437812359 863142225 /nfs/dbraw/zinc/14/22/25/863142225.db2.gz VNOXOZOVOHBNGO-GVDBMIGSSA-N 0 0 413.572 4.792 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ncsc3-c3ccccc3)CC2)c1 ZINC000437823895 863168407 /nfs/dbraw/zinc/16/84/07/863168407.db2.gz SLHZWOOYLDKRGC-UHFFFAOYSA-N 0 0 416.506 4.173 20 30 HIEDRN C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437825282 863169779 /nfs/dbraw/zinc/16/97/79/863169779.db2.gz WLNDYEGQOPYJGC-MBSDFSHPSA-N 0 0 404.510 4.031 20 30 HIEDRN CCOc1cccc2[nH]cc(CC(=O)NC3CCC(Oc4ccccc4C#N)CC3)c21 ZINC000437844841 863201511 /nfs/dbraw/zinc/20/15/11/863201511.db2.gz IVSNWFLWVGTGOG-UHFFFAOYSA-N 0 0 417.509 4.487 20 30 HIEDRN CCN(C(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000467809300 881635690 /nfs/dbraw/zinc/63/56/90/881635690.db2.gz MZRUWNWGOOGUIW-DYVFJYSZSA-N 0 0 416.447 4.390 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000437844153 863201936 /nfs/dbraw/zinc/20/19/36/863201936.db2.gz SKTLJXGGDDSNMO-ATNYBXOESA-N 0 0 411.315 4.115 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(C#N)cs2)cc1 ZINC000437877022 863239501 /nfs/dbraw/zinc/23/95/01/863239501.db2.gz MTHAIKIBSJYNKV-UHFFFAOYSA-N 0 0 412.492 4.458 20 30 HIEDRN CC(C)[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCS1 ZINC000437888523 863254677 /nfs/dbraw/zinc/25/46/77/863254677.db2.gz KZTCRCWKGGARSD-HXUWFJFHSA-N 0 0 408.527 4.416 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)c1 ZINC000437894279 863262014 /nfs/dbraw/zinc/26/20/14/863262014.db2.gz XFWWFKXNLCXAQP-YLJYHZDGSA-N 0 0 413.880 4.460 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1 ZINC000437894519 863262980 /nfs/dbraw/zinc/26/29/80/863262980.db2.gz HTHKSGHVABHDKW-HSZRJFAPSA-N 0 0 421.541 4.166 20 30 HIEDRN CCN(Cc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1)C(C)=O ZINC000437896496 863266902 /nfs/dbraw/zinc/26/69/02/863266902.db2.gz AGGNICSYKJJBBN-PKTZIBPZSA-N 0 0 404.514 4.359 20 30 HIEDRN C=CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000437900131 863272653 /nfs/dbraw/zinc/27/26/53/863272653.db2.gz GAHPJDLYOJOLJT-GQWLDOHISA-N 0 0 422.920 4.130 20 30 HIEDRN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000437914569 863290544 /nfs/dbraw/zinc/29/05/44/863290544.db2.gz ZHDJGRUKLPFRLY-GMAHTHKFSA-N 0 0 404.514 4.135 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000437932742 863309070 /nfs/dbraw/zinc/30/90/70/863309070.db2.gz MOUUBVKIUCJLHZ-ISKFKSNPSA-N 0 0 412.574 4.471 20 30 HIEDRN COCCOc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1OC ZINC000437934711 863310484 /nfs/dbraw/zinc/31/04/84/863310484.db2.gz QGDMXWWMFCHRJF-PMACEKPBSA-N 0 0 409.486 4.024 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000437939789 863315301 /nfs/dbraw/zinc/31/53/01/863315301.db2.gz GQGJHDFKEJWPRZ-YPAWHYETSA-N 0 0 418.497 4.108 20 30 HIEDRN C[C@]1(CO)CCC[C@H]1NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437965955 863336426 /nfs/dbraw/zinc/33/64/26/863336426.db2.gz WTVKQHGAUIFXNV-IFMALSPDSA-N 0 0 413.905 4.463 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC000437996561 863359688 /nfs/dbraw/zinc/35/96/88/863359688.db2.gz SUDONMQLJLBZIS-UGKGYDQZSA-N 0 0 422.529 4.419 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000438009317 863368959 /nfs/dbraw/zinc/36/89/59/863368959.db2.gz UZEQGZNUTGQNRA-NFBKMPQASA-N 0 0 410.514 4.055 20 30 HIEDRN N#CC1(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)CCCC1 ZINC000438038663 863399088 /nfs/dbraw/zinc/39/90/88/863399088.db2.gz BJUBIBIWHFEHOD-UHFFFAOYSA-N 0 0 421.881 4.302 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CCNC(=O)[C@@H]3c3cccs3)c2)cc1 ZINC000438039621 863399307 /nfs/dbraw/zinc/39/93/07/863399307.db2.gz XPXOWHQAXYOJSE-FQEVSTJZSA-N 0 0 418.478 4.117 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCN1c2ccccc2OCC1=O ZINC000438043320 863404997 /nfs/dbraw/zinc/40/49/97/863404997.db2.gz UBYITTSHOSBUKU-MRXNPFEDSA-N 0 0 424.526 4.018 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N3CCCC[C@@H]3CN3CCOCC3)cc2)c1 ZINC000438058147 863428988 /nfs/dbraw/zinc/42/89/88/863428988.db2.gz CAPYMAYLSBGZGR-OAQYLSRUSA-N 0 0 420.513 4.069 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000438058249 863429157 /nfs/dbraw/zinc/42/91/57/863429157.db2.gz CJSLAZACPPTFSW-QFBILLFUSA-N 0 0 408.527 4.208 20 30 HIEDRN COc1ccc(C#N)cc1CN1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000438063486 863436113 /nfs/dbraw/zinc/43/61/13/863436113.db2.gz HJDYVEZJCYRUBI-UHFFFAOYSA-N 0 0 405.523 4.048 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000438067619 863445987 /nfs/dbraw/zinc/44/59/87/863445987.db2.gz AEPPGBMKAKHKFU-INIZCTEOSA-N 0 0 418.526 4.245 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1ccc(OCC)c(OCC)c1)C(C)C ZINC000438069117 863449876 /nfs/dbraw/zinc/44/98/76/863449876.db2.gz ZYBDMEDJZMOAHG-COPCDDAFSA-N 0 0 404.551 4.462 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCNC(=O)[C@H]3c3cccs3)cc2)cc1 ZINC000438226275 863663786 /nfs/dbraw/zinc/66/37/86/863663786.db2.gz MXOLIFNVTVKJMN-HXUWFJFHSA-N 0 0 418.478 4.117 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ZESYPSPQAGJVCP-UHFFFAOYSA-N 0 0 407.514 4.270 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000438618208 864043535 /nfs/dbraw/zinc/04/35/35/864043535.db2.gz DDYFYEAGBFIUGS-UHFFFAOYSA-N 0 0 422.466 4.196 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438627109 864055696 /nfs/dbraw/zinc/05/56/96/864055696.db2.gz QHRPTPONTACSFJ-ACJLOTCBSA-N 0 0 415.287 4.070 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000438627854 864056353 /nfs/dbraw/zinc/05/63/53/864056353.db2.gz VACRDMSICLITNB-UHFFFAOYSA-N 0 0 422.872 4.382 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000438639458 864074084 /nfs/dbraw/zinc/07/40/84/864074084.db2.gz BQLOAXHTCOSCMS-LLVKDONJSA-N 0 0 402.376 4.344 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(Oc3ccccn3)c2)CC1 ZINC000438648935 864088499 /nfs/dbraw/zinc/08/84/99/864088499.db2.gz KXCXMWBTTCXFRG-UHFFFAOYSA-N 0 0 413.481 4.490 20 30 HIEDRN CCOC(=O)c1c(NC(=O)CN(C)[C@@H](C)CC#N)sc(Cl)c1-c1ccccc1 ZINC000438648730 864088653 /nfs/dbraw/zinc/08/86/53/864088653.db2.gz RFKRLHJLXFJVBR-ZDUSSCGKSA-N 0 0 419.934 4.418 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1C(F)(F)F ZINC000438650995 864091065 /nfs/dbraw/zinc/09/10/65/864091065.db2.gz MBDRLTQYKVIQFE-KRWDZBQOSA-N 0 0 411.330 4.461 20 30 HIEDRN CCCCCC(=O)NC1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438655730 864098199 /nfs/dbraw/zinc/09/81/99/864098199.db2.gz ZXHZOQXPXCOXEO-UHFFFAOYSA-N 0 0 410.440 4.270 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCC(=O)NC2CCCCC2)cc1F ZINC000438657149 864101776 /nfs/dbraw/zinc/10/17/76/864101776.db2.gz QVVKTYTYWLWMGB-UHFFFAOYSA-N 0 0 410.449 4.060 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N1CCCC[C@H]1C ZINC000438658575 864104371 /nfs/dbraw/zinc/10/43/71/864104371.db2.gz BQZUAUHKOOJKMS-HZPDHXFCSA-N 0 0 424.476 4.401 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c1 ZINC000438663774 864116501 /nfs/dbraw/zinc/11/65/01/864116501.db2.gz JFHGXPGOQANWGB-UHFFFAOYSA-N 0 0 406.486 4.013 20 30 HIEDRN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000438669306 864127575 /nfs/dbraw/zinc/12/75/75/864127575.db2.gz IHVUXZNACGHEOQ-RDJZCZTQSA-N 0 0 424.476 4.258 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](CO)c2ccc(F)cc2)cc1F ZINC000438669489 864129217 /nfs/dbraw/zinc/12/92/17/864129217.db2.gz JDVGBPGBLSMKIJ-IBGZPJMESA-N 0 0 409.392 4.484 20 30 HIEDRN CC(C)CCc1nc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1 ZINC000438701311 864176228 /nfs/dbraw/zinc/17/62/28/864176228.db2.gz YOOGLDAIHDJAHJ-UHFFFAOYSA-N 0 0 411.531 4.174 20 30 HIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)c2)C1 ZINC000438717416 864199024 /nfs/dbraw/zinc/19/90/24/864199024.db2.gz JRBOOMCCVGSOEO-FOIQADDNSA-N 0 0 409.461 4.370 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000438724749 864206951 /nfs/dbraw/zinc/20/69/51/864206951.db2.gz RDZLKIOVFYPULK-UHFFFAOYSA-N 0 0 413.477 4.203 20 30 HIEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000438738345 864224657 /nfs/dbraw/zinc/22/46/57/864224657.db2.gz OWPGRWONSHRXKI-UHFFFAOYSA-N 0 0 407.417 4.124 20 30 HIEDRN N#Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000438806557 864297048 /nfs/dbraw/zinc/29/70/48/864297048.db2.gz PQXYDMWSRUEIDC-UHFFFAOYSA-N 0 0 405.195 4.140 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000438825477 864318533 /nfs/dbraw/zinc/31/85/33/864318533.db2.gz UZKCBELDCPQINJ-UHFFFAOYSA-N 0 0 409.287 4.321 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000438838200 864331572 /nfs/dbraw/zinc/33/15/72/864331572.db2.gz UDFJQPXIWREDCF-UHFFFAOYSA-N 0 0 414.181 4.218 20 30 HIEDRN Cc1cc(C[C@H](C)NC(=O)N[C@H](CCC#N)c2ccccc2)n(-c2ccccc2)n1 ZINC000438838718 864333448 /nfs/dbraw/zinc/33/34/48/864333448.db2.gz DGVVJXHSGUFSFD-FDDCHVKYSA-N 0 0 401.514 4.456 20 30 HIEDRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000438842643 864336589 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HIEDRN C=CCc1cc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)cc(OC)c1OC ZINC000438912790 864392232 /nfs/dbraw/zinc/39/22/32/864392232.db2.gz PKLSOLLPXBNCHR-UHFFFAOYSA-N 0 0 409.404 4.190 20 30 HIEDRN COc1cc(-c2nnc(CN(CC(C)C)c3ccc(C#N)cc3)o2)cc(OC)c1OC ZINC000438914229 864393611 /nfs/dbraw/zinc/39/36/11/864393611.db2.gz FDNJLCMFRWJBNI-UHFFFAOYSA-N 0 0 422.485 4.297 20 30 HIEDRN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000438944074 864418420 /nfs/dbraw/zinc/41/84/20/864418420.db2.gz XEDYXWMYIPZORW-UHFFFAOYSA-N 0 0 418.272 4.696 20 30 HIEDRN N#Cc1cccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000439049391 864500863 /nfs/dbraw/zinc/50/08/63/864500863.db2.gz HXSNHJUJZIRQEG-UHFFFAOYSA-N 0 0 400.257 4.346 20 30 HIEDRN CCn1c(SCC(=O)c2cccc(C#N)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000439063712 864515403 /nfs/dbraw/zinc/51/54/03/864515403.db2.gz IECWCSBZDIWLHH-UHFFFAOYSA-N 0 0 409.536 4.203 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)c2ccc(C#N)cc2C)ccc1OCc1ccncc1 ZINC000439066076 864517611 /nfs/dbraw/zinc/51/76/11/864517611.db2.gz KOPOBSJISGTTOC-QGZVFWFLSA-N 0 0 401.466 4.340 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(C#N)cc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000439079552 864529431 /nfs/dbraw/zinc/52/94/31/864529431.db2.gz UGHXWEFFGZOKCJ-GAJHUEQPSA-N 0 0 418.541 4.250 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2c1 ZINC000439093335 864537079 /nfs/dbraw/zinc/53/70/79/864537079.db2.gz DGIMDCYACJUJNF-LJQANCHMSA-N 0 0 417.465 4.236 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)Nc1cc(C)c(NC(=O)c2cc(C#N)oc2C)c(C)c1 ZINC000439137256 864569525 /nfs/dbraw/zinc/56/95/25/864569525.db2.gz RZMYULMQVXGIHK-UHFFFAOYSA-N 0 0 402.410 4.354 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(N3CC[C@H](COCc4ccccc4)C3)c2c1 ZINC000439150260 864581847 /nfs/dbraw/zinc/58/18/47/864581847.db2.gz AQVLCBVNVQAWKH-SFHVURJKSA-N 0 0 403.482 4.167 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000439154437 864586227 /nfs/dbraw/zinc/58/62/27/864586227.db2.gz NWOLVLNBZXRELQ-IBGZPJMESA-N 0 0 407.539 4.255 20 30 HIEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000439159520 864590930 /nfs/dbraw/zinc/59/09/30/864590930.db2.gz JKWLCRWJXCOLMU-OAHLLOKOSA-N 0 0 405.420 4.078 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccccc2OCCOC)cnn1-c1cccc(C#N)c1 ZINC000439231841 864647738 /nfs/dbraw/zinc/64/77/38/864647738.db2.gz WHRGNDSPIMPRAU-UHFFFAOYSA-N 0 0 419.485 4.366 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439248206 864665189 /nfs/dbraw/zinc/66/51/89/864665189.db2.gz PDCPEGCJBVGOJL-GFCCVEGCSA-N 0 0 411.296 4.232 20 30 HIEDRN C=CCn1c(S[C@@H](C)c2ncc(Br)cn2)nnc1-c1ccoc1C ZINC000439271035 864687395 /nfs/dbraw/zinc/68/73/95/864687395.db2.gz XGUZFWVQTGJLSG-NSHDSACASA-N 0 0 406.309 4.438 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000439301937 864729590 /nfs/dbraw/zinc/72/95/90/864729590.db2.gz AZMWISNXDPPNEY-KNKQGSTJSA-N 0 0 406.530 4.462 20 30 HIEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439321498 864757921 /nfs/dbraw/zinc/75/79/21/864757921.db2.gz CNHKELOTFFMTLJ-GCJKJVERSA-N 0 0 422.573 4.220 20 30 HIEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439321502 864758581 /nfs/dbraw/zinc/75/85/81/864758581.db2.gz CNHKELOTFFMTLJ-XMSQKQJNSA-N 0 0 422.573 4.220 20 30 HIEDRN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)N(CCC#N)CC1CC1 ZINC000439321855 864758626 /nfs/dbraw/zinc/75/86/26/864758626.db2.gz LBEQVWGOWSWGMH-SFHVURJKSA-N 0 0 405.498 4.226 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc21 ZINC000439322479 864760172 /nfs/dbraw/zinc/76/01/72/864760172.db2.gz GKFFXLYFZHIGJI-AWEZNQCLSA-N 0 0 422.872 4.380 20 30 HIEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000439336054 864773777 /nfs/dbraw/zinc/77/37/77/864773777.db2.gz FUEGNEHHEXUQFO-GFCCVEGCSA-N 0 0 423.366 4.336 20 30 HIEDRN Cc1ccncc1N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000439354601 864796515 /nfs/dbraw/zinc/79/65/15/864796515.db2.gz HUEQLXGMZDGITH-UHFFFAOYSA-N 0 0 413.481 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CC1CCN(c2cccc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)c2)CC1 ZINC000439455832 864838508 /nfs/dbraw/zinc/83/85/08/864838508.db2.gz WBTXUDFIXRQSKW-JOCHJYFZSA-N 0 0 404.514 4.023 20 30 HIEDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439488918 864849363 /nfs/dbraw/zinc/84/93/63/864849363.db2.gz AIZUNLPZJAQFOU-FQEVSTJZSA-N 0 0 422.529 4.477 20 30 HIEDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(C(F)(F)F)c1 ZINC000439502810 864856068 /nfs/dbraw/zinc/85/60/68/864856068.db2.gz HIJNVWGOORDYSM-VXGBXAGGSA-N 0 0 401.454 4.295 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(c2nccs2)CC1 ZINC000439510338 864857628 /nfs/dbraw/zinc/85/76/28/864857628.db2.gz GRQYBTXKELCRTL-AWEZNQCLSA-N 0 0 401.561 4.328 20 30 HIEDRN N#Cc1cccc(CCNC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 ZINC000439523232 864863390 /nfs/dbraw/zinc/86/33/90/864863390.db2.gz JZVUGBISZYMHRD-UHFFFAOYSA-N 0 0 424.504 4.054 20 30 HIEDRN CCc1ncsc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000439526678 864864054 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0 409.530 4.273 20 30 HIEDRN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000441628329 866729636 /nfs/dbraw/zinc/72/96/36/866729636.db2.gz ZIODEZPXVXVQCX-UHFFFAOYSA-N 0 0 401.919 4.309 20 30 HIEDRN N#C[C@@H]1N(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CCC[C@@]12CCCCO2 ZINC000468147117 882006580 /nfs/dbraw/zinc/00/65/80/882006580.db2.gz SFBZBRQKBUMDST-WMZOPIPTSA-N 0 0 417.720 4.479 20 30 HIEDRN Cc1ccc(CN(CCc2ccccc2)C(=O)C(=O)Nc2cccc(C)c2C#N)s1 ZINC000441638606 866742974 /nfs/dbraw/zinc/74/29/74/866742974.db2.gz SJKXVXYYYJXRCH-UHFFFAOYSA-N 0 0 417.534 4.447 20 30 HIEDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441704497 866813257 /nfs/dbraw/zinc/81/32/57/866813257.db2.gz JZPPZVMYXICBKP-LBPRGKRZSA-N 0 0 415.371 4.448 20 30 HIEDRN C=C(C)[C@H](NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1)c1ccc(F)c(F)c1 ZINC000441737969 866828995 /nfs/dbraw/zinc/82/89/95/866828995.db2.gz HZYRKJQZZIBBLC-IBGZPJMESA-N 0 0 412.444 4.050 20 30 HIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000441771214 866846399 /nfs/dbraw/zinc/84/63/99/866846399.db2.gz VTNIECZKBNHCFI-MRXNPFEDSA-N 0 0 409.795 4.436 20 30 HIEDRN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000441792433 866862845 /nfs/dbraw/zinc/86/28/45/866862845.db2.gz FRSCIXZOADWDLG-UHFFFAOYSA-N 0 0 406.467 4.233 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(COCc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000441794932 866864593 /nfs/dbraw/zinc/86/45/93/866864593.db2.gz YQONYKKSWQAUJQ-GOSISDBHSA-N 0 0 413.477 4.091 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000441800520 866867488 /nfs/dbraw/zinc/86/74/88/866867488.db2.gz VKNNGPHFYRVMKV-OAHLLOKOSA-N 0 0 401.532 4.298 20 30 HIEDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C ZINC000441801901 866868630 /nfs/dbraw/zinc/86/86/30/866868630.db2.gz XZUVBRQUGZNVCM-DYESRHJHSA-N 0 0 420.513 4.420 20 30 HIEDRN C=C[C@H](CC(=O)Nc1cc(S(=O)(=O)NCCCC)ccc1C)c1ccccc1 ZINC000441808276 866871776 /nfs/dbraw/zinc/87/17/76/866871776.db2.gz ATEWVGIKXMGQNH-GOSISDBHSA-N 0 0 400.544 4.372 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F ZINC000441833976 866892276 /nfs/dbraw/zinc/89/22/76/866892276.db2.gz LUPUJQWVNUGOBC-UHFFFAOYSA-N 0 0 421.806 4.017 20 30 HIEDRN Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000441855492 866918636 /nfs/dbraw/zinc/91/86/36/866918636.db2.gz PKWQETXVMRTCIF-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000441861988 866926298 /nfs/dbraw/zinc/92/62/98/866926298.db2.gz WPTUBFALVLVMCF-UHFFFAOYSA-N 0 0 415.449 4.139 20 30 HIEDRN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000441862361 866926336 /nfs/dbraw/zinc/92/63/36/866926336.db2.gz KMNVSTFOCPADFW-LJQANCHMSA-N 0 0 401.869 4.015 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000441868509 866935308 /nfs/dbraw/zinc/93/53/08/866935308.db2.gz HZADDPSEJYTYPP-UHFFFAOYSA-N 0 0 415.449 4.032 20 30 HIEDRN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000441905770 866970351 /nfs/dbraw/zinc/97/03/51/866970351.db2.gz QZBREDOPAOJJBZ-SFHVURJKSA-N 0 0 401.388 4.092 20 30 HIEDRN C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CC1 ZINC000441931080 866995590 /nfs/dbraw/zinc/99/55/90/866995590.db2.gz GISFSPPRPZPOOP-AWEZNQCLSA-N 0 0 422.872 4.093 20 30 HIEDRN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000441989497 867047042 /nfs/dbraw/zinc/04/70/42/867047042.db2.gz HWUOVEUJSOEQEU-JTQLQIEISA-N 0 0 406.244 4.089 20 30 HIEDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441998373 867052901 /nfs/dbraw/zinc/05/29/01/867052901.db2.gz GNKNQEKSSMOAPC-WFASDCNBSA-N 0 0 419.378 4.059 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N(CC(F)F)CC2CCC2)cc1 ZINC000442004776 867060513 /nfs/dbraw/zinc/06/05/13/867060513.db2.gz RKXJOQOVFDMUBT-UHFFFAOYSA-N 0 0 413.424 4.183 20 30 HIEDRN C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000442012029 867065493 /nfs/dbraw/zinc/06/54/93/867065493.db2.gz NIGYNCOCGOFRKW-QZTJIDSGSA-N 0 0 405.498 4.113 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2coc(-c3cccs3)n2)ccc1OC(F)(F)F ZINC000442043972 867080865 /nfs/dbraw/zinc/08/08/65/867080865.db2.gz KCMDIGNSPURPEO-UHFFFAOYSA-N 0 0 408.361 4.495 20 30 HIEDRN CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442050464 867084843 /nfs/dbraw/zinc/08/48/43/867084843.db2.gz CIUYSOMQVQILDL-UHFFFAOYSA-N 0 0 418.169 4.476 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000442057792 867091368 /nfs/dbraw/zinc/09/13/68/867091368.db2.gz WRFYVXDFWMGMOJ-LLVKDONJSA-N 0 0 418.375 4.224 20 30 HIEDRN COc1cccc2c1CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CC2 ZINC000442064089 867095344 /nfs/dbraw/zinc/09/53/44/867095344.db2.gz ZVTJNRTXJYBYPQ-UHFFFAOYSA-N 0 0 405.376 4.098 20 30 HIEDRN N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(Br)c2)CCO1 ZINC000442066540 867098767 /nfs/dbraw/zinc/09/87/67/867098767.db2.gz RTRWMAJRJNSHSI-OAHLLOKOSA-N 0 0 420.238 4.137 20 30 HIEDRN COC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442080357 867109860 /nfs/dbraw/zinc/10/98/60/867109860.db2.gz OEGRMGRQPSUEGH-KRWDZBQOSA-N 0 0 407.392 4.178 20 30 HIEDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442079210 867110291 /nfs/dbraw/zinc/11/02/91/867110291.db2.gz MXASFINTVPIFJE-NSHDSACASA-N 0 0 422.363 4.074 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N[C@H](C)C1CCCCC1 ZINC000442092324 867119056 /nfs/dbraw/zinc/11/90/56/867119056.db2.gz XQBCWWDDLFJADV-GOSISDBHSA-N 0 0 419.525 4.469 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C)nc1C)c1ccc(C(F)(F)F)cc1 ZINC000442096985 867122347 /nfs/dbraw/zinc/12/23/47/867122347.db2.gz MZVREMKDKPCUDY-SFHVURJKSA-N 0 0 405.420 4.479 20 30 HIEDRN CCS[C@H]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000442117005 867138484 /nfs/dbraw/zinc/13/84/84/867138484.db2.gz RIJJBTHLVVSMKU-NQIIRXRSSA-N 0 0 423.538 4.422 20 30 HIEDRN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)o1 ZINC000442137895 867159222 /nfs/dbraw/zinc/15/92/22/867159222.db2.gz PFODBMWABFAVMI-LAUBAEHRSA-N 0 0 423.513 4.463 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cccc(C[S@](=O)c3ccccc3)c2)C1=O ZINC000442141734 867163956 /nfs/dbraw/zinc/16/39/56/867163956.db2.gz UXUPPOKWLMTUGC-OLILMLBXSA-N 0 0 421.547 4.145 20 30 HIEDRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000442155598 867177712 /nfs/dbraw/zinc/17/77/12/867177712.db2.gz IWPOQFFJIBHURF-OAHLLOKOSA-N 0 0 417.440 4.189 20 30 HIEDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)o1 ZINC000442167297 867190044 /nfs/dbraw/zinc/19/00/44/867190044.db2.gz XXVCRIVXVQYYGO-KXBFYZLASA-N 0 0 409.486 4.185 20 30 HIEDRN CCC(CC)N(CC(C)C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000442180798 867203244 /nfs/dbraw/zinc/20/32/44/867203244.db2.gz INMVIGUXCNJAIF-UHFFFAOYSA-N 0 0 408.502 4.357 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1C#N ZINC000442181783 867204092 /nfs/dbraw/zinc/20/40/92/867204092.db2.gz DMWQMZBBSXALSY-QFIPXVFZSA-N 0 0 419.431 4.184 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000442191541 867214513 /nfs/dbraw/zinc/21/45/13/867214513.db2.gz DACKCTZHMSTZOA-SFTDATJTSA-N 0 0 405.498 4.336 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)c1C#N ZINC000442193715 867215113 /nfs/dbraw/zinc/21/51/13/867215113.db2.gz LOKMJNLCONVZBX-UHFFFAOYSA-N 0 0 417.440 4.361 20 30 HIEDRN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c2ccccc21 ZINC000442201649 867224840 /nfs/dbraw/zinc/22/48/40/867224840.db2.gz PNBHWMICSODLLN-INIZCTEOSA-N 0 0 418.375 4.076 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000442203421 867225708 /nfs/dbraw/zinc/22/57/08/867225708.db2.gz CLLVTUQWMVPGNP-UXHICEINSA-N 0 0 405.498 4.222 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)ccc1OC(F)(F)F ZINC000442206026 867227592 /nfs/dbraw/zinc/22/75/92/867227592.db2.gz FXLNUQBYLSEJLQ-CQSZACIVSA-N 0 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ZINC000442345710 867337859 /nfs/dbraw/zinc/33/78/59/867337859.db2.gz SAMLQMZMHJLOQS-UHFFFAOYSA-N 0 0 404.869 4.076 20 30 HIEDRN Cc1ccccc1C1=CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000442361519 867347632 /nfs/dbraw/zinc/34/76/32/867347632.db2.gz OUFXLKIARUZWMQ-QGZVFWFLSA-N 0 0 405.523 4.254 20 30 HIEDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000442369369 867356175 /nfs/dbraw/zinc/35/61/75/867356175.db2.gz KPLQHHXZHQRWSL-KZULUSFZSA-N 0 0 419.378 4.264 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)c2)cc1 ZINC000442376334 867361967 /nfs/dbraw/zinc/36/19/67/867361967.db2.gz JIKRXLKPMMPCPV-QWFCFKBJSA-N 0 0 403.482 4.374 20 30 HIEDRN C=CCN(C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C1CC1 ZINC000442410153 867384499 /nfs/dbraw/zinc/38/44/99/867384499.db2.gz UEVRVTNCOWCABA-UHFFFAOYSA-N 0 0 406.269 4.296 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000442415728 867389754 /nfs/dbraw/zinc/38/97/54/867389754.db2.gz GGUHGXQGYPUTKO-NRFANRHFSA-N 0 0 419.525 4.180 20 30 HIEDRN Cc1c(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cccc1C(F)(F)F ZINC000442439106 867410792 /nfs/dbraw/zinc/41/07/92/867410792.db2.gz PEECZWXRSPBYPT-UHFFFAOYSA-N 0 0 401.388 4.015 20 30 HIEDRN Cc1cc(Cl)c(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1Cl ZINC000442464350 867447049 /nfs/dbraw/zinc/44/70/49/867447049.db2.gz HVPDAMKZZOXOKA-UHFFFAOYSA-N 0 0 402.281 4.303 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)cc1C#N ZINC000442512283 867491730 /nfs/dbraw/zinc/49/17/30/867491730.db2.gz FPXRQOIDDLPFAY-SFHVURJKSA-N 0 0 419.525 4.301 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000442540197 867515469 /nfs/dbraw/zinc/51/54/69/867515469.db2.gz QSFFDHNVFPPLPO-TZIWHRDSSA-N 0 0 418.497 4.078 20 30 HIEDRN Cc1csc([C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C2CC2)n1 ZINC000442547930 867524845 /nfs/dbraw/zinc/52/48/45/867524845.db2.gz AEGMPCWHWOEMJP-NRFANRHFSA-N 0 0 415.518 4.057 20 30 HIEDRN Cc1csc([C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C2CC2)n1 ZINC000442560589 867532670 /nfs/dbraw/zinc/53/26/70/867532670.db2.gz XKILZGHYHCXXAL-CXAGYDPISA-N 0 0 414.556 4.052 20 30 HIEDRN CC(C)(C)C(=O)NCc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000442611405 867557050 /nfs/dbraw/zinc/55/70/50/867557050.db2.gz SLQFVLSQSBNTRH-INIZCTEOSA-N 0 0 403.404 4.253 20 30 HIEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000442625935 867569556 /nfs/dbraw/zinc/56/95/56/867569556.db2.gz RYXIIHPTHBAJJX-UHFFFAOYSA-N 0 0 411.870 4.146 20 30 HIEDRN CCSCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000442669691 867604717 /nfs/dbraw/zinc/60/47/17/867604717.db2.gz CWHQIHIGBYAOEH-MRXNPFEDSA-N 0 0 411.527 4.279 20 30 HIEDRN C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1Cn1cc(NC(=O)[C@](C)(C=C)CC)cn1 ZINC000442802850 867679983 /nfs/dbraw/zinc/67/99/83/867679983.db2.gz SMPXKLSYXAIXBL-PTUXOGIPSA-N 0 0 400.567 4.407 20 30 HIEDRN COc1cc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)ccc1C#N ZINC000442848056 867697068 /nfs/dbraw/zinc/69/70/68/867697068.db2.gz MFMQGJXFFAZXJJ-JOCHJYFZSA-N 0 0 420.488 4.082 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CNc1cc(F)cc(F)c1Br ZINC000442860697 867702565 /nfs/dbraw/zinc/70/25/65/867702565.db2.gz CLYPLANGQXWDMT-UHFFFAOYSA-N 0 0 412.259 4.394 20 30 HIEDRN C[C@@H](c1cccc(C#N)c1)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000442907186 867733214 /nfs/dbraw/zinc/73/32/14/867733214.db2.gz XFJSRKQNVRXSAU-HRAATJIYSA-N 0 0 409.331 4.264 20 30 HIEDRN Cc1ccccc1-n1c(S[C@H](C)c2cccc(C#N)c2)nnc1N1CCOCC1 ZINC000442914414 867738389 /nfs/dbraw/zinc/73/83/89/867738389.db2.gz SRFIYGVFMLMRQH-QGZVFWFLSA-N 0 0 405.527 4.137 20 30 HIEDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000442954306 867762401 /nfs/dbraw/zinc/76/24/01/867762401.db2.gz RBENONFWJVIBOA-MRXNPFEDSA-N 0 0 401.260 4.012 20 30 HIEDRN CN(C(=O)c1ccc(C#N)c(O)c1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000442961841 867765331 /nfs/dbraw/zinc/76/53/31/867765331.db2.gz JMPRJYFXXNXWAD-OAHLLOKOSA-N 0 0 403.301 4.335 20 30 HIEDRN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1OC ZINC000468226796 882117839 /nfs/dbraw/zinc/11/78/39/882117839.db2.gz GKKZYLSWQUTJGH-LJQANCHMSA-N 0 0 403.438 4.208 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1O ZINC000443043885 867801103 /nfs/dbraw/zinc/80/11/03/867801103.db2.gz AZKZNZDQNDFAEF-INIZCTEOSA-N 0 0 408.502 4.180 20 30 HIEDRN COc1cc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)ccc1C#N ZINC000443069360 867809664 /nfs/dbraw/zinc/80/96/64/867809664.db2.gz NDDOXDGVEMBGBU-LBPRGKRZSA-N 0 0 413.275 4.230 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1C#N ZINC000443068952 867809676 /nfs/dbraw/zinc/80/96/76/867809676.db2.gz ITXIQNKDUQLRTI-UHFFFAOYSA-N 0 0 405.454 4.273 20 30 HIEDRN C=CCc1cc(C(=O)N2CCOc3ccc(Br)cc32)cc(OC)c1OC ZINC000468229430 882121264 /nfs/dbraw/zinc/12/12/64/882121264.db2.gz ZODBPAFTFQTLHX-UHFFFAOYSA-N 0 0 418.287 4.234 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000443102345 867819529 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/nfs/dbraw/zinc/96/40/27/867964027.db2.gz FPLROOPGRGQXAP-UHFFFAOYSA-N 0 0 414.086 4.323 20 30 HIEDRN N#CC1(NC(=O)COc2c(Cl)ccc(Cl)c2Br)CCCCC1 ZINC000443407679 867989008 /nfs/dbraw/zinc/98/90/08/867989008.db2.gz QKZWNELPKKQLRP-UHFFFAOYSA-N 0 0 406.107 4.477 20 30 HIEDRN N#Cc1cc(Sc2nnc3sc4ccccc4n23)nc2ccc([N+](=O)[O-])cc12 ZINC000443435901 868019241 /nfs/dbraw/zinc/01/92/41/868019241.db2.gz HYEAWYFZBVIGJB-UHFFFAOYSA-N 0 0 404.436 4.423 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000468245419 882146504 /nfs/dbraw/zinc/14/65/04/882146504.db2.gz HVMPEOPRVOCMPA-SFHVURJKSA-N 0 0 404.873 4.028 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443461150 868050784 /nfs/dbraw/zinc/05/07/84/868050784.db2.gz CGSIDMBQXVWYDP-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN N#Cc1cn(CC(=O)Cc2ccccc2Cl)c2ccc(Br)cc2c1=O ZINC000443476913 868062686 /nfs/dbraw/zinc/06/26/86/868062686.db2.gz VGBUZNIBUKRQQQ-UHFFFAOYSA-N 0 0 415.674 4.101 20 30 HIEDRN COc1ccccc1CN(C[C@@H]1CCCO1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443507598 868072709 /nfs/dbraw/zinc/07/27/09/868072709.db2.gz BZKNKDPVIVJUQV-IBGZPJMESA-N 0 0 418.453 4.209 20 30 HIEDRN C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)n1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000443512497 868075310 /nfs/dbraw/zinc/07/53/10/868075310.db2.gz SPDWBFXIOXDBTD-CYBMUJFWSA-N 0 0 411.387 4.792 20 30 HIEDRN C[C@H]1CN(C(=O)c2ccc(NCC#Cc3ccc(C(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000443544941 868101742 /nfs/dbraw/zinc/10/17/42/868101742.db2.gz XJROFKMGFAQXQT-IRXDYDNUSA-N 0 0 416.443 4.418 20 30 HIEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000443547351 868104881 /nfs/dbraw/zinc/10/48/81/868104881.db2.gz ANKDDBLZWZFVKH-UHFFFAOYSA-N 0 0 410.433 4.008 20 30 HIEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000443553130 868107628 /nfs/dbraw/zinc/10/76/28/868107628.db2.gz PLYCBPUXBCHKTH-UHFFFAOYSA-N 0 0 402.498 4.462 20 30 HIEDRN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)c(OC)c1 ZINC000468249273 882155223 /nfs/dbraw/zinc/15/52/23/882155223.db2.gz DUNIOFIVTWUVLY-FQEVSTJZSA-N 0 0 403.438 4.208 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccco3)o2)cc1 ZINC000468255134 882164535 /nfs/dbraw/zinc/16/45/35/882164535.db2.gz MBLAZVAHYWQJGB-QGZVFWFLSA-N 0 0 404.422 4.201 20 30 HIEDRN CN(C(=O)CN(Cc1csc(Br)c1)C1CC1)C1(C#N)CCCCC1 ZINC000443642664 868228527 /nfs/dbraw/zinc/22/85/27/868228527.db2.gz OUSDHMIHIFSJPJ-UHFFFAOYSA-N 0 0 410.381 4.160 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645000 868232711 /nfs/dbraw/zinc/23/27/11/868232711.db2.gz GZYPPCLFZKMTJE-CQSZACIVSA-N 0 0 412.852 4.310 20 30 HIEDRN CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1ccccc1 ZINC000468257736 882169463 /nfs/dbraw/zinc/16/94/63/882169463.db2.gz VREZEMWPUZTIOD-DEOSSOPVSA-N 0 0 417.530 4.243 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)o2)cc1 ZINC000443670263 868277157 /nfs/dbraw/zinc/27/71/57/868277157.db2.gz SLNWXSQTLJAYTJ-UHFFFAOYSA-N 0 0 408.404 4.323 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000443717414 868302752 /nfs/dbraw/zinc/30/27/52/868302752.db2.gz JOQIOHBSJOWMLW-SFHVURJKSA-N 0 0 413.499 4.033 20 30 HIEDRN Cn1ccc2ccc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc21 ZINC000443804627 868340459 /nfs/dbraw/zinc/34/04/59/868340459.db2.gz FBWUQIRPTDZHER-UHFFFAOYSA-N 0 0 410.433 4.419 20 30 HIEDRN Cn1cc(-c2ncccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)cn1 ZINC000468264907 882180567 /nfs/dbraw/zinc/18/05/67/882180567.db2.gz ACFPLGUFGGRWMR-UHFFFAOYSA-N 0 0 409.449 4.185 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(CC)(CC)c2ccccc2)cc1 ZINC000443851382 868381864 /nfs/dbraw/zinc/38/18/64/868381864.db2.gz IHVMHOMGFFXUON-UHFFFAOYSA-N 0 0 400.544 4.190 20 30 HIEDRN CN(Cc1ccc(C#N)o1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000443858798 868391914 /nfs/dbraw/zinc/39/19/14/868391914.db2.gz RPWQHJUVABWLEG-KRWDZBQOSA-N 0 0 405.292 4.104 20 30 HIEDRN C=CC[C@@H]1N(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCCC1(C)C ZINC000443859623 868392960 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ZINC000468634147 882764998 /nfs/dbraw/zinc/76/49/98/882764998.db2.gz AOWAIXHVYKZHBW-HEFCMCLBSA-N 0 0 423.326 4.221 20 30 HIEDRN C=C(C)Cn1c(C(C)C)nnc1N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000460942047 873841997 /nfs/dbraw/zinc/84/19/97/873841997.db2.gz VTIHEHWEHFZKSY-UHFFFAOYSA-N 0 0 402.514 4.460 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1Cc2ccccc2C2(CC2)C1 ZINC000460943396 873843071 /nfs/dbraw/zinc/84/30/71/873843071.db2.gz LBRNWMFHXJCVKN-UHFFFAOYSA-N 0 0 401.470 4.481 20 30 HIEDRN C=C(C)Cn1c(CC2CC2)nnc1N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000460947814 873845896 /nfs/dbraw/zinc/84/58/96/873845896.db2.gz HEXNSRDFYYNKEF-UHFFFAOYSA-N 0 0 408.333 4.188 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccccc1Br ZINC000460947437 873845928 /nfs/dbraw/zinc/84/59/28/873845928.db2.gz GIRRKNZXPORRMU-HUUCEWRRSA-N 0 0 405.340 4.318 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1ccccc1 ZINC000460947983 873845989 /nfs/dbraw/zinc/84/59/89/873845989.db2.gz UIAPXOIZHBABSW-INIZCTEOSA-N 0 0 400.486 4.367 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCC[C@@H]1CCC1CCCC1 ZINC000460948447 873846748 /nfs/dbraw/zinc/84/67/48/873846748.db2.gz WGKTZWPYSNDUBM-LJQANCHMSA-N 0 0 411.550 4.316 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCC[C@@H](SCC)C1 ZINC000460948680 873847036 /nfs/dbraw/zinc/84/70/36/873847036.db2.gz KEVGZKICZQKDFM-MRXNPFEDSA-N 0 0 424.574 4.282 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(C)C)CC1 ZINC000460949058 873847874 /nfs/dbraw/zinc/84/78/74/873847874.db2.gz KYCGNKBBLCRDBX-KRWDZBQOSA-N 0 0 406.534 4.433 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000460951298 873849905 /nfs/dbraw/zinc/84/99/05/873849905.db2.gz KBUYGMVCEHWRAK-LDQXTDLNSA-N 0 0 412.534 4.310 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1c1csc(C)n1 ZINC000460952307 873850945 /nfs/dbraw/zinc/85/09/45/873850945.db2.gz NVASAXYDKFJYCD-PXNSSMCTSA-N 0 0 423.542 4.473 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC(Cn2cncn2)CC1 ZINC000460953542 873851845 /nfs/dbraw/zinc/85/18/45/873851845.db2.gz UPVOKOFJBCEPQF-UHFFFAOYSA-N 0 0 413.529 4.183 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1csc(-c2ccc(F)cc2)n1 ZINC000460954174 873852728 /nfs/dbraw/zinc/85/27/28/873852728.db2.gz WSUDINZMWLZTIX-UHFFFAOYSA-N 0 0 404.264 4.102 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000460958955 873856151 /nfs/dbraw/zinc/85/61/51/873856151.db2.gz OGHXTPHVYJELFY-UHFFFAOYSA-N 0 0 421.545 4.459 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000460959390 873856178 /nfs/dbraw/zinc/85/61/78/873856178.db2.gz NNVLBLKGLUNLRN-PBHICJAKSA-N 0 0 410.440 4.158 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000460961258 873858404 /nfs/dbraw/zinc/85/84/04/873858404.db2.gz SWVIZTLACMWCLX-ZWKOTPCHSA-N 0 0 417.351 4.432 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000460963082 873860691 /nfs/dbraw/zinc/86/06/91/873860691.db2.gz NSORYJNUYYGWCS-NRFANRHFSA-N 0 0 419.577 4.310 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1C[C@@H]2CCC[C@H]21 ZINC000460963081 873860764 /nfs/dbraw/zinc/86/07/64/873860764.db2.gz NSNJQOULTIQVFB-SUMWQHHRSA-N 0 0 403.324 4.281 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000460965341 873862695 /nfs/dbraw/zinc/86/26/95/873862695.db2.gz YOGAZZVDIORDIH-RBUKOAKNSA-N 0 0 402.926 4.234 20 30 HIEDRN Cc1cc(Br)ccc1SCC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000468638039 882773243 /nfs/dbraw/zinc/77/32/43/882773243.db2.gz KUMILEMCVJGJRO-HKUYNNGSSA-N 0 0 423.376 4.304 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO1 ZINC000461061288 873940402 /nfs/dbraw/zinc/94/04/02/873940402.db2.gz GAHOGPCFXYRQKH-LPHOPBHVSA-N 0 0 402.926 4.429 20 30 HIEDRN C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCO1)C1CC1 ZINC000461070446 873960896 /nfs/dbraw/zinc/96/08/96/873960896.db2.gz UTKJFLHZBFVHMZ-MRXNPFEDSA-N 0 0 423.344 4.498 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000461082921 873990374 /nfs/dbraw/zinc/99/03/74/873990374.db2.gz CXFXLHSATHRZNO-SJORKVTESA-N 0 0 421.806 4.093 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1C[C@H]1CCCO1 ZINC000461081946 873991393 /nfs/dbraw/zinc/99/13/93/873991393.db2.gz AUXGYJBFRWSANM-LJQANCHMSA-N 0 0 413.522 4.147 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]c(=O)c(Br)c3)cc2)c1 ZINC000461097740 874014602 /nfs/dbraw/zinc/01/46/02/874014602.db2.gz KLAKGTWDCSHDHZ-UHFFFAOYSA-N 0 0 410.227 4.466 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3c[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 ZINC000461098952 874016508 /nfs/dbraw/zinc/01/65/08/874016508.db2.gz QSLUVFSZHWJEGK-SFHVURJKSA-N 0 0 406.436 4.230 20 30 HIEDRN Cc1ccc(-n2nc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)c3c2CCCC3)cc1 ZINC000468650510 882786288 /nfs/dbraw/zinc/78/62/88/882786288.db2.gz YKYZMURKPYVBOA-RDGATRHJSA-N 0 0 418.541 4.127 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cccc3nc(-c4cccs4)[nH]c32)CCC[C@@]12CCCCO2 ZINC000468650740 882787323 /nfs/dbraw/zinc/78/73/23/882787323.db2.gz IFGDMMQPTFEBQQ-AVRDEDQJSA-N 0 0 406.511 4.359 20 30 HIEDRN CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 ZINC000461120384 874046417 /nfs/dbraw/zinc/04/64/17/874046417.db2.gz BLOGGDVTHOVBIX-XUVXKRRUSA-N 0 0 411.575 4.106 20 30 HIEDRN C[C@@H](c1cccs1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461123477 874053719 /nfs/dbraw/zinc/05/37/19/874053719.db2.gz IMUZPGBKOLSKDL-QFBILLFUSA-N 0 0 423.542 4.167 20 30 HIEDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461125781 874055509 /nfs/dbraw/zinc/05/55/09/874055509.db2.gz LOFWSGBRDWYDSE-PCCBWWKXSA-N 0 0 423.561 4.026 20 30 HIEDRN CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461125783 874056498 /nfs/dbraw/zinc/05/64/98/874056498.db2.gz LOFWSGBRDWYDSE-QHAWAJNXSA-N 0 0 423.561 4.026 20 30 HIEDRN C[C@H](c1ccccc1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461127588 874058247 /nfs/dbraw/zinc/05/82/47/874058247.db2.gz QYBIMKOLNPIXKQ-GCJKJVERSA-N 0 0 417.513 4.105 20 30 HIEDRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000461163697 874124355 /nfs/dbraw/zinc/12/43/55/874124355.db2.gz NCFQEIJIZXKJCA-DNVCBOLYSA-N 0 0 423.467 4.471 20 30 HIEDRN CC(C)C[C@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461164016 874126378 /nfs/dbraw/zinc/12/63/78/874126378.db2.gz VODRPYUHYRLEAH-IRLDBZIGSA-N 0 0 423.561 4.313 20 30 HIEDRN CCN(Cc1ccccc1C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 ZINC000461172178 874143373 /nfs/dbraw/zinc/14/33/73/874143373.db2.gz YGCZNUNJMCIAAX-JOCHJYFZSA-N 0 0 401.514 4.331 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cccc(COc3cccc(F)c3)c2)CCC[C@]12CCCCO2 ZINC000468662432 882798389 /nfs/dbraw/zinc/79/83/89/882798389.db2.gz SRRAOCNUDLSYEM-LADGPHEKSA-N 0 0 408.473 4.472 20 30 HIEDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000461176758 874154224 /nfs/dbraw/zinc/15/42/24/874154224.db2.gz ZJCBUKWNRUCHOO-UHFFFAOYSA-N 0 0 422.554 4.270 20 30 HIEDRN N#C[C@H]1N(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCC[C@]12CCCCO2 ZINC000468661814 882799440 /nfs/dbraw/zinc/79/94/40/882799440.db2.gz MEIRKXMQZSIAPY-XMSQKQJNSA-N 0 0 424.526 4.460 20 30 HIEDRN C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)c1cccc(C(=O)c2ccccc2)c1 ZINC000468663507 882800302 /nfs/dbraw/zinc/80/03/02/882800302.db2.gz RYXDYYOANWTVRL-CZZAQMAHSA-N 0 0 416.521 4.475 20 30 HIEDRN N#C[C@H]1N(C(=O)c2ccc(Br)c(Cl)c2F)CCC[C@]12CCCCO2 ZINC000468669738 882801014 /nfs/dbraw/zinc/80/10/14/882801014.db2.gz SRBIBGGLJCGSNJ-CXAGYDPISA-N 0 0 415.690 4.309 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)c3c(C)c(C)oc3-c3ccccc3)CC2)c1C#N ZINC000461195641 874193029 /nfs/dbraw/zinc/19/30/29/874193029.db2.gz NIXHTBGGXOSQJE-UHFFFAOYSA-N 0 0 406.511 4.162 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000461237169 874234442 /nfs/dbraw/zinc/23/44/42/874234442.db2.gz OGPWXKPQFLOYPZ-INIZCTEOSA-N 0 0 409.371 4.084 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)Oc2cccc(F)c2)cc1C 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874439427 /nfs/dbraw/zinc/43/94/27/874439427.db2.gz AHWQHVRPUJXOEP-UHFFFAOYSA-N 0 0 412.291 4.302 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccn2C)n1C[C@@H]1CCOC1 ZINC000461426194 874459176 /nfs/dbraw/zinc/45/91/76/874459176.db2.gz VKQSGJABCQQQPR-HNNXBMFYSA-N 0 0 417.966 4.228 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000461429272 874468022 /nfs/dbraw/zinc/46/80/22/874468022.db2.gz IXXPYNKAIMGKTA-UHFFFAOYSA-N 0 0 413.275 4.013 20 30 HIEDRN Cc1cc(C#N)ccc1C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000468731680 882832782 /nfs/dbraw/zinc/83/27/82/882832782.db2.gz AUXJRURRAGANHT-UHFFFAOYSA-N 0 0 412.287 4.118 20 30 HIEDRN Cc1cc(N2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)nc(C(C)C)n1 ZINC000461453150 874513035 /nfs/dbraw/zinc/51/30/35/874513035.db2.gz NEHRRAXKFDOUDH-UHFFFAOYSA-N 0 0 406.921 4.308 20 30 HIEDRN N#CCN1CCC[C@@H](CNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000461473779 874529526 /nfs/dbraw/zinc/52/95/26/874529526.db2.gz VOWGRTSTRXJQLK-INIZCTEOSA-N 0 0 417.431 4.463 20 30 HIEDRN N#CCN1CCC[C@H](CNC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000461473862 874529574 /nfs/dbraw/zinc/52/95/74/874529574.db2.gz XCWLPYITQQHGQK-GOSISDBHSA-N 0 0 416.550 4.442 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1cccs1 ZINC000461484645 874546483 /nfs/dbraw/zinc/54/64/83/874546483.db2.gz CXDLBWHMMYSZQE-UHFFFAOYSA-N 0 0 414.538 4.458 20 30 HIEDRN C[C@@H]1CC[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461494569 874563532 /nfs/dbraw/zinc/56/35/32/874563532.db2.gz VSIPYGIGNSNBGF-DLBZAZTESA-N 0 0 407.543 4.463 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000461516106 874595879 /nfs/dbraw/zinc/59/58/79/874595879.db2.gz BZEZGXVUSDNRKA-INIZCTEOSA-N 0 0 419.875 4.147 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(Cc2cccc3ccccc32)n1C[C@@H]1CCOC1 ZINC000461522534 874605128 /nfs/dbraw/zinc/60/51/28/874605128.db2.gz LARDLMLHCKPZEI-FQEVSTJZSA-N 0 0 415.541 4.189 20 30 HIEDRN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 ZINC000461522726 874605208 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CC(C)CCN(CCC#N)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCOC1 ZINC000461620896 874773892 /nfs/dbraw/zinc/77/38/92/874773892.db2.gz UCADBIGTDPSGRZ-IBGZPJMESA-N 0 0 418.545 4.296 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCOC1 ZINC000461633285 874790437 /nfs/dbraw/zinc/79/04/37/874790437.db2.gz UVECSDANEJMKNG-NRFANRHFSA-N 0 0 406.530 4.427 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1 ZINC000461662056 874814898 /nfs/dbraw/zinc/81/48/98/874814898.db2.gz NPYQKMFNXMMXPJ-HXUWFJFHSA-N 0 0 423.473 4.208 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CSc1nncn1-c1ccc(C)cc1 ZINC000461676127 874826162 /nfs/dbraw/zinc/82/61/62/874826162.db2.gz WFVADLVQGOMJLG-UHFFFAOYSA-N 0 0 406.515 4.000 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(Cc2ccsc2)n1C[C@H]1CCOC1 ZINC000461693188 874843456 /nfs/dbraw/zinc/84/34/56/874843456.db2.gz DVHBOZIOWBIHIV-OAQYLSRUSA-N 0 0 408.571 4.202 20 30 HIEDRN N#Cc1cccc(-c2nnc(N(CC3CCCCC3)C3CC3)n2C[C@H]2CCOC2)c1 ZINC000461695710 874845517 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C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc(C#N)c1 ZINC000461789595 874906324 /nfs/dbraw/zinc/90/63/24/874906324.db2.gz DHPXNBULDNJXNX-CYBMUJFWSA-N 0 0 402.479 4.309 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C#N)cc2)c1 ZINC000461791685 874907807 /nfs/dbraw/zinc/90/78/07/874907807.db2.gz WLSJHBULNDWOND-DENIHFKCSA-N 0 0 419.525 4.444 20 30 HIEDRN CCCN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461805743 874917852 /nfs/dbraw/zinc/91/78/52/874917852.db2.gz BAWXIVJHAOPBEB-YADHBBJMSA-N 0 0 423.561 4.171 20 30 HIEDRN Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCO2)c2ccccc21 ZINC000461806160 874919348 /nfs/dbraw/zinc/91/93/48/874919348.db2.gz BXMCDUXOSDSDFM-IBGZPJMESA-N 0 0 418.545 4.136 20 30 HIEDRN CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1)C(C)C ZINC000461814013 874931884 /nfs/dbraw/zinc/93/18/84/874931884.db2.gz XQVRQOZTNRFAQB-OAQYLSRUSA-N 0 0 411.550 4.169 20 30 HIEDRN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1(C)C 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HLWLOUNOMVNSOT-INIZCTEOSA-N 0 0 401.470 4.493 20 30 HIEDRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCCF)c1 ZINC000462369951 875482313 /nfs/dbraw/zinc/48/23/13/875482313.db2.gz RTNIYAWZSJXDPO-UHFFFAOYSA-N 0 0 424.925 4.201 20 30 HIEDRN Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000462381875 875494684 /nfs/dbraw/zinc/49/46/84/875494684.db2.gz ZVYCGMIAADESRO-UHFFFAOYSA-N 0 0 416.500 4.012 20 30 HIEDRN CCCOc1ccc(Br)cc1CS(=O)(=O)Cc1ccccc1C#N ZINC000462390918 875501064 /nfs/dbraw/zinc/50/10/64/875501064.db2.gz WEXSTVQHQHWFKT-UHFFFAOYSA-N 0 0 408.317 4.225 20 30 HIEDRN C[C@H](C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cccc(C#N)c1 ZINC000462399731 875507241 /nfs/dbraw/zinc/50/72/41/875507241.db2.gz WLWJOOVMQJNKPW-LBPRGKRZSA-N 0 0 401.438 4.004 20 30 HIEDRN CCCCN(C)C(=O)CSCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000462412818 875520455 /nfs/dbraw/zinc/52/04/55/875520455.db2.gz UBVZBNVOPJEYHI-CQSZACIVSA-N 0 0 407.605 4.065 20 30 HIEDRN COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)C2 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/nfs/dbraw/zinc/71/98/11/884719811.db2.gz PQWCSUGZSLQRLJ-UHFFFAOYSA-N 0 0 402.498 4.430 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1 ZINC000503897664 912856181 /nfs/dbraw/zinc/85/61/81/912856181.db2.gz OOHODIVBMLRSDV-UHFFFAOYSA-N 0 0 419.484 4.342 20 30 HIEDRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C#N)C(C)C)c(OC)c1 ZINC000470348741 884740086 /nfs/dbraw/zinc/74/00/86/884740086.db2.gz YUGODSBOVORAOF-OAQYLSRUSA-N 0 0 405.498 4.449 20 30 HIEDRN CC(C)[C@@H](C#N)NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000470350289 884742771 /nfs/dbraw/zinc/74/27/71/884742771.db2.gz VKXOVPHQNOBHJD-CQSZACIVSA-N 0 0 419.432 4.293 20 30 HIEDRN N#CCCN(CCC#N)C(=O)CN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000470363166 884756329 /nfs/dbraw/zinc/75/63/29/884756329.db2.gz NJHNBAFIYIPMMV-QFIPXVFZSA-N 0 0 406.917 4.095 20 30 HIEDRN N#CCCN(Cc1ccccn1)Cc1ccc(I)cc1Cl ZINC000503920055 912864738 /nfs/dbraw/zinc/86/47/38/912864738.db2.gz KJVFKJWPDIOHOR-UHFFFAOYSA-N 0 0 411.674 4.255 20 30 HIEDRN Cc1cc(CCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(C)c1O ZINC000470417587 884820770 /nfs/dbraw/zinc/82/07/70/884820770.db2.gz BOYJHKCMKPBSLB-UHFFFAOYSA-N 0 0 409.877 4.084 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccc(OC(F)F)cn2)c1 ZINC000470423673 884825600 /nfs/dbraw/zinc/82/56/00/884825600.db2.gz BERRRRHEKQTZMZ-UHFFFAOYSA-N 0 0 409.392 4.064 20 30 HIEDRN COc1cccc(COc2cccc(NC(=O)Nc3ccn(CCC#N)n3)c2C)c1 ZINC000470426190 884827682 /nfs/dbraw/zinc/82/76/82/884827682.db2.gz ACZMQBDXNPDDLW-UHFFFAOYSA-N 0 0 405.458 4.337 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1C(=O)N(C)C(C)C ZINC000470436425 884835138 /nfs/dbraw/zinc/83/51/38/884835138.db2.gz CLNRCQHKIZCJEL-QFIPXVFZSA-N 0 0 407.514 4.389 20 30 HIEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCCCC(=O)N1CCCCC1 ZINC000470437106 884835257 /nfs/dbraw/zinc/83/52/57/884835257.db2.gz GGFDXGWDWUTGNR-UHFFFAOYSA-N 0 0 405.951 4.121 20 30 HIEDRN Cc1cccc(C[C@@H](CO)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 ZINC000470467162 884860112 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N#CCCCN1C(=O)CCc2cc(NC(=O)NC3CC(c4ccccc4)C3)ccc21 ZINC000470536902 884939124 /nfs/dbraw/zinc/93/91/24/884939124.db2.gz GEGPTVPPBPTWOL-UHFFFAOYSA-N 0 0 402.498 4.337 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C#N)cc1 ZINC000470537930 884940793 /nfs/dbraw/zinc/94/07/93/884940793.db2.gz REQWSAPHCNCMCA-INIZCTEOSA-N 0 0 401.470 4.024 20 30 HIEDRN Cc1csc(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n1 ZINC000470539593 884942081 /nfs/dbraw/zinc/94/20/81/884942081.db2.gz ZSQPAAFLOJYBKA-UHFFFAOYSA-N 0 0 411.531 4.091 20 30 HIEDRN COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1F ZINC000470542279 884947287 /nfs/dbraw/zinc/94/72/87/884947287.db2.gz NNQZOICQAPRDNN-OAHLLOKOSA-N 0 0 424.476 4.300 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccsc1 ZINC000470551167 884962702 /nfs/dbraw/zinc/96/27/02/884962702.db2.gz JBSOSEYYGFFFEY-UHFFFAOYSA-N 0 0 407.470 4.031 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC[C@H](c4ccc(F)cc4)C3)ccc21 ZINC000470552428 884964627 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HIEDRN CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470561509 884978290 /nfs/dbraw/zinc/97/82/90/884978290.db2.gz UPTLOAXBIZFAFO-UHFFFAOYSA-N 0 0 419.312 4.054 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)CC2)cc1 ZINC000503960842 912885900 /nfs/dbraw/zinc/88/59/00/912885900.db2.gz IWGPALAJCLMECV-UHFFFAOYSA-N 0 0 423.398 4.087 20 30 HIEDRN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H]1C ZINC000470613174 885038295 /nfs/dbraw/zinc/03/82/95/885038295.db2.gz UXNJEWZDCXHRAF-POZUXBRTSA-N 0 0 411.889 4.411 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000470628860 885053915 /nfs/dbraw/zinc/05/39/15/885053915.db2.gz YARDJZBEZDGQBV-CRAIPNDOSA-N 0 0 404.436 4.494 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000503975268 912892389 /nfs/dbraw/zinc/89/23/89/912892389.db2.gz WAEZLYYZDYWVKU-SFHVURJKSA-N 0 0 401.532 4.467 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000470644703 885069741 /nfs/dbraw/zinc/06/97/41/885069741.db2.gz LXLVGVFDQCRWDG-SFHVURJKSA-N 0 0 413.315 4.480 20 30 HIEDRN CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000470659632 885084260 /nfs/dbraw/zinc/08/42/60/885084260.db2.gz WPSZWFQJBYOEPX-CQSZACIVSA-N 0 0 400.862 4.416 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000470666564 885093279 /nfs/dbraw/zinc/09/32/79/885093279.db2.gz GTRRLWSAJRDQJJ-UHFFFAOYSA-N 0 0 423.513 4.121 20 30 HIEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000470671892 885101349 /nfs/dbraw/zinc/10/13/49/885101349.db2.gz KBJQJSWGGKGLIW-LJQANCHMSA-N 0 0 415.415 4.061 20 30 HIEDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000470674223 885104303 /nfs/dbraw/zinc/10/43/03/885104303.db2.gz KCDAMLXAIJCGLX-UHFFFAOYSA-N 0 0 418.400 4.493 20 30 HIEDRN Cc1nc(SCC(=O)NCC2CCN(c3ccccc3)CC2)c(C#N)c(C)c1C ZINC000470686204 885119630 /nfs/dbraw/zinc/11/96/30/885119630.db2.gz QGZNGNMANZYVBN-UHFFFAOYSA-N 0 0 408.571 4.003 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000470691020 885125707 /nfs/dbraw/zinc/12/57/07/885125707.db2.gz ADBKPQUPEYAMTO-QFIPXVFZSA-N 0 0 404.938 4.482 20 30 HIEDRN N#Cc1c(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)sc2c1CCCC2 ZINC000470721595 885166319 /nfs/dbraw/zinc/16/63/19/885166319.db2.gz DSCOFLAJXOTQME-HNNXBMFYSA-N 0 0 403.301 4.203 20 30 HIEDRN N#Cc1c(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)sc2c1CCCC2 ZINC000470721597 885167217 /nfs/dbraw/zinc/16/72/17/885167217.db2.gz DSCOFLAJXOTQME-OAHLLOKOSA-N 0 0 403.301 4.203 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 ZINC000470731793 885183546 /nfs/dbraw/zinc/18/35/46/885183546.db2.gz FDZPCOLMGSOYOM-CYBMUJFWSA-N 0 0 416.384 4.388 20 30 HIEDRN C=CCN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1nc2c(s1)CCCC2 ZINC000470733023 885185620 /nfs/dbraw/zinc/18/56/20/885185620.db2.gz MRSWIJXHNOTCJP-INIZCTEOSA-N 0 0 419.344 4.307 20 30 HIEDRN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)n1 ZINC000470758864 885225123 /nfs/dbraw/zinc/22/51/23/885225123.db2.gz YTWDMVVZWPOIIV-LJQANCHMSA-N 0 0 413.506 4.437 20 30 HIEDRN CCC(CC)n1ncc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C ZINC000470769759 885234741 /nfs/dbraw/zinc/23/47/41/885234741.db2.gz RXLUVXJIYFZDFD-UHFFFAOYSA-N 0 0 407.518 4.388 20 30 HIEDRN Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000470829531 885318692 /nfs/dbraw/zinc/31/86/92/885318692.db2.gz DOIOQJCNVLWVGP-FQEVSTJZSA-N 0 0 405.461 4.433 20 30 HIEDRN CN(C(=O)Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1)c1ccccc1 ZINC000470829473 885318764 /nfs/dbraw/zinc/31/87/64/885318764.db2.gz CYUKAFXRVQWHKL-JOCHJYFZSA-N 0 0 422.488 4.085 20 30 HIEDRN Cc1nc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)sc1Cc1ccc(F)cc1 ZINC000470829854 885320170 /nfs/dbraw/zinc/32/01/70/885320170.db2.gz FCIQKAWLLHGZFH-SFHVURJKSA-N 0 0 404.470 4.374 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CSc2nnc(C3CC3)s2)c1C#N ZINC000470838705 885332398 /nfs/dbraw/zinc/33/23/98/885332398.db2.gz BBRQXRYOOUMCER-UHFFFAOYSA-N 0 0 409.540 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Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472284980 887104171 /nfs/dbraw/zinc/10/41/71/887104171.db2.gz NKIZHYZDBAXYOG-JOCHJYFZSA-N 0 0 420.900 4.163 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)n2)cc1 ZINC000472402342 887250881 /nfs/dbraw/zinc/25/08/81/887250881.db2.gz IWYYZUNIXXCMLT-IIBYNOLFSA-N 0 0 418.497 4.451 20 30 HIEDRN COCCC[C@@H](Cc1ccccc1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000472463189 887321621 /nfs/dbraw/zinc/32/16/21/887321621.db2.gz DOMYJBOMEXILFQ-DEOSSOPVSA-N 0 0 403.526 4.395 20 30 HIEDRN N#Cc1cc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)ccc1C(F)(F)F ZINC000472504221 887371838 /nfs/dbraw/zinc/37/18/38/887371838.db2.gz UCOSPVMXYYSQAG-MRXNPFEDSA-N 0 0 401.367 4.402 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000472513492 887382971 /nfs/dbraw/zinc/38/29/71/887382971.db2.gz JCICZLLSBYBHSP-HNNXBMFYSA-N 0 0 410.449 4.309 20 30 HIEDRN COCCOc1cc(OC)ccc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000472548079 887429170 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HIEDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000472912951 887759329 /nfs/dbraw/zinc/75/93/29/887759329.db2.gz DWZHCCLFHYMGPZ-GUYCJALGSA-N 0 0 417.387 4.088 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc(-c4ccc(C)cc4C)cs3)CC2)o1 ZINC000472935630 887785107 /nfs/dbraw/zinc/78/51/07/887785107.db2.gz OZRAKWBNLIYDST-UHFFFAOYSA-N 0 0 421.526 4.450 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000472954554 887803647 /nfs/dbraw/zinc/80/36/47/887803647.db2.gz STECORYAJKGZPE-NRFANRHFSA-N 0 0 422.525 4.096 20 30 HIEDRN CSc1ccccc1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000472960167 887808784 /nfs/dbraw/zinc/80/87/84/887808784.db2.gz RGEAUEKPTNIARZ-HNNXBMFYSA-N 0 0 413.568 4.400 20 30 HIEDRN CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cccc(SCC#N)c1 ZINC000473005192 887837479 /nfs/dbraw/zinc/83/74/79/887837479.db2.gz YSVQFHIDOASCOG-IRXDYDNUSA-N 0 0 403.548 4.048 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473033888 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C=CCN(C(=O)c1cc(-c2cccs2)on1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000474207686 889047274 /nfs/dbraw/zinc/04/72/74/889047274.db2.gz ATRSTTUATPGBQZ-SFHVURJKSA-N 0 0 410.495 4.206 20 30 HIEDRN C=CCN(C(=O)[C@@H]1CC12CCCC2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000474224651 889064999 /nfs/dbraw/zinc/06/49/99/889064999.db2.gz AVVPEJCQZLZPGQ-KRWDZBQOSA-N 0 0 416.568 4.313 20 30 HIEDRN N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000474332156 889205203 /nfs/dbraw/zinc/20/52/03/889205203.db2.gz PKQGGEDKDSMMDN-UHFFFAOYSA-N 0 0 413.319 4.107 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 ZINC000474339273 889212098 /nfs/dbraw/zinc/21/20/98/889212098.db2.gz AGLALLUPVOAGCV-HXUWFJFHSA-N 0 0 410.474 4.003 20 30 HIEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000474367030 889245804 /nfs/dbraw/zinc/24/58/04/889245804.db2.gz PCBKGJXIBVLXMP-FQEVSTJZSA-N 0 0 424.501 4.312 20 30 HIEDRN N#Cc1cccc(CS(=O)(=O)N(Cc2cccc(Br)c2)CC2CC2)c1 ZINC000474397083 889265892 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C[C@H]1c2cccc(Br)c2CCN1C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504585476 913345702 /nfs/dbraw/zinc/34/57/02/913345702.db2.gz NDTJENIPRQKLIK-RBZFPXEDSA-N 0 0 421.335 4.156 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)COc2cccc(C(F)(F)F)n2)c1C#N ZINC000474678325 889541524 /nfs/dbraw/zinc/54/15/24/889541524.db2.gz NLOWHCRQMROKIZ-UHFFFAOYSA-N 0 0 418.375 4.049 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000474679115 889541897 /nfs/dbraw/zinc/54/18/97/889541897.db2.gz HDIUHTOKOVJQBK-UHFFFAOYSA-N 0 0 423.476 4.343 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000474692374 889553077 /nfs/dbraw/zinc/55/30/77/889553077.db2.gz DDQPAPRWCPZAMS-UHFFFAOYSA-N 0 0 405.429 4.472 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1Cl ZINC000474728095 889583207 /nfs/dbraw/zinc/58/32/07/889583207.db2.gz LDORCAWRWINSID-NSHGMRRFSA-N 0 0 410.905 4.161 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cc2Cl)cc1 ZINC000474735784 889591298 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ZINC000474913040 889772994 /nfs/dbraw/zinc/77/29/94/889772994.db2.gz SGLFNFBPVJAMAO-KRWDZBQOSA-N 0 0 402.429 4.499 20 30 HIEDRN Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 ZINC000474919656 889781287 /nfs/dbraw/zinc/78/12/87/889781287.db2.gz VRRIVDMTJAHANV-FQEVSTJZSA-N 0 0 418.518 4.188 20 30 HIEDRN N#Cc1ccc(C(=O)N[C@H](Cc2ccccn2)c2ccc(Br)cc2)s1 ZINC000474962462 889816366 /nfs/dbraw/zinc/81/63/66/889816366.db2.gz ISMRCVUGDAFQCM-QGZVFWFLSA-N 0 0 412.312 4.491 20 30 HIEDRN Cc1sc(NC(=O)c2cc(I)ccc2F)c(C#N)c1C ZINC000475009269 889861942 /nfs/dbraw/zinc/86/19/42/889861942.db2.gz QUNZHWGWKBGXKO-UHFFFAOYSA-N 0 0 400.216 4.233 20 30 HIEDRN CN(c1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1)C1CCCC1 ZINC000475037154 889889435 /nfs/dbraw/zinc/88/94/35/889889435.db2.gz BDIQNIXCXDADLV-UHFFFAOYSA-N 0 0 403.530 4.291 20 30 HIEDRN N#Cc1ccc(OC2CCN(c3ccnc4cc(Br)cnc43)CC2)cc1 ZINC000475057271 889902675 /nfs/dbraw/zinc/90/26/75/889902675.db2.gz UTPPVQXLBWYONM-UHFFFAOYSA-N 0 0 409.287 4.312 20 30 HIEDRN CC(C)(C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1Cl ZINC000504657265 913397606 /nfs/dbraw/zinc/39/76/06/913397606.db2.gz BXXVMMWXIBIGSX-UHFFFAOYSA-N 0 0 409.917 4.367 20 30 HIEDRN COc1cc(CN2CC(O)(CC#N)C2)ccc1OCc1ccc(Cl)cc1Cl ZINC000475093652 889940944 /nfs/dbraw/zinc/94/09/44/889940944.db2.gz HISWZAZDHJFKKH-UHFFFAOYSA-N 0 0 407.297 4.041 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)cc1 ZINC000475109276 889959387 /nfs/dbraw/zinc/95/93/87/889959387.db2.gz LFKNNNFUFGVHNL-SFHVURJKSA-N 0 0 406.530 4.091 20 30 HIEDRN Cc1cc(NC(=O)Nc2cc(C)n(CCC#N)n2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000504658160 913399827 /nfs/dbraw/zinc/39/98/27/913399827.db2.gz OYBUBKKZQBVCCO-UHFFFAOYSA-N 0 0 417.395 4.262 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000475149781 890016691 /nfs/dbraw/zinc/01/66/91/890016691.db2.gz QIKUIUYOGOFRQS-UHFFFAOYSA-N 0 0 409.505 4.358 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000475170269 890035866 /nfs/dbraw/zinc/03/58/66/890035866.db2.gz NGLWLDPJTFBLTF-MRXNPFEDSA-N 0 0 423.513 4.089 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000475174294 890041823 /nfs/dbraw/zinc/04/18/23/890041823.db2.gz VPUZSJORADUMLP-UHFFFAOYSA-N 0 0 412.486 4.142 20 30 HIEDRN C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(Br)cn1 ZINC000475234201 890107601 /nfs/dbraw/zinc/10/76/01/890107601.db2.gz OYQJNIIQOJCIQB-CQSZACIVSA-N 0 0 411.303 4.276 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC000475235182 890107666 /nfs/dbraw/zinc/10/76/66/890107666.db2.gz OLSYQUXXVYYSDJ-UHFFFAOYSA-N 0 0 404.495 4.231 20 30 HIEDRN CCCn1ccc2cc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)ccc21 ZINC000475244391 890126036 /nfs/dbraw/zinc/12/60/36/890126036.db2.gz SWYPIYNENPODKW-JOCHJYFZSA-N 0 0 400.482 4.053 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000475248125 890130456 /nfs/dbraw/zinc/13/04/56/890130456.db2.gz SEQDYKNUYDJIMD-AWEZNQCLSA-N 0 0 401.308 4.397 20 30 HIEDRN C[C@H](Sc1ccccn1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000475262679 890157005 /nfs/dbraw/zinc/15/70/05/890157005.db2.gz IHAPFQXYCUIDPI-LBPRGKRZSA-N 0 0 413.553 4.216 20 30 HIEDRN N#CC[C@H](CC(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000475327237 890245535 /nfs/dbraw/zinc/24/55/35/890245535.db2.gz ILQHFMKXUVYFBE-LJQANCHMSA-N 0 0 424.932 4.494 20 30 HIEDRN CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000475345926 890268538 /nfs/dbraw/zinc/26/85/38/890268538.db2.gz LZLMTGZYKNNZLY-QFIPXVFZSA-N 0 0 407.489 4.017 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000475404730 890333645 /nfs/dbraw/zinc/33/36/45/890333645.db2.gz MOTDQICZFFIRGB-UHFFFAOYSA-N 0 0 411.527 4.413 20 30 HIEDRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2cnc(C#N)cn2)cc1 ZINC000475445466 890361943 /nfs/dbraw/zinc/36/19/43/890361943.db2.gz PBDMTOYDLKRHCV-UHFFFAOYSA-N 0 0 414.494 4.070 20 30 HIEDRN COc1ccc(-c2nnc(Sc3cnc(C#N)cn3)n2C2CCCCC2)cc1OC ZINC000475447564 890363966 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CCOc1cc(/C=C/c2ccncc2C#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC000504713223 913448505 /nfs/dbraw/zinc/44/85/05/913448505.db2.gz VCUFSKYRLKNXJL-GQCTYLIASA-N 0 0 404.422 4.481 20 30 HIEDRN CCO[C@H](C)c1nc(CN2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)cs1 ZINC000475505126 890419876 /nfs/dbraw/zinc/41/98/76/890419876.db2.gz RMGCHCBVYJLHIZ-CQSZACIVSA-N 0 0 424.492 4.453 20 30 HIEDRN CCCn1ccc2cc(NC(=O)C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)ccc21 ZINC000504720065 913455681 /nfs/dbraw/zinc/45/56/81/913455681.db2.gz HAPHOPRMCDUVPR-UHFFFAOYSA-N 0 0 412.493 4.177 20 30 HIEDRN N#CC1(CS(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCCC1 ZINC000475548910 890474782 /nfs/dbraw/zinc/47/47/82/890474782.db2.gz KUXYIJICODQCGV-UHFFFAOYSA-N 0 0 400.466 4.474 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000475548564 890475373 /nfs/dbraw/zinc/47/53/73/890475373.db2.gz CEYZELSDVKSQOM-UHFFFAOYSA-N 0 0 400.544 4.405 20 30 HIEDRN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(OCC(F)(F)F)cc1 ZINC000475569081 890499179 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/nfs/dbraw/zinc/59/92/98/890599298.db2.gz XNRRFUZIVAEVNC-NRFANRHFSA-N 0 0 416.477 4.204 20 30 HIEDRN C=C(C)[C@H](NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000475662363 890607893 /nfs/dbraw/zinc/60/78/93/890607893.db2.gz ROELDQCEGRRBLS-RBZFPXEDSA-N 0 0 411.445 4.090 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCc2ccc(C(N)=O)o2)cc1Cl ZINC000475662839 890609335 /nfs/dbraw/zinc/60/93/35/890609335.db2.gz AQJKZFLTOONOTI-QGZVFWFLSA-N 0 0 408.845 4.009 20 30 HIEDRN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(C#N)s1 ZINC000475669855 890614029 /nfs/dbraw/zinc/61/40/29/890614029.db2.gz SFOCNAUCSRXXHX-HNNXBMFYSA-N 0 0 407.333 4.150 20 30 HIEDRN Cn1c(CNC(=O)c2ccc(COc3ccccc3C#N)o2)nc2cccc(Cl)c21 ZINC000475688499 890628595 /nfs/dbraw/zinc/62/85/95/890628595.db2.gz FXJFCCGCCRCTBU-UHFFFAOYSA-N 0 0 420.856 4.200 20 30 HIEDRN COc1ccc2nc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)sc2c1 ZINC000475716607 890655237 /nfs/dbraw/zinc/65/52/37/890655237.db2.gz QKPZWFLKHDIIHE-UHFFFAOYSA-N 0 0 406.511 4.027 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cc1C#N ZINC000504737168 913475110 /nfs/dbraw/zinc/47/51/10/913475110.db2.gz IOTDXZGYYPSELV-OAQYLSRUSA-N 0 0 416.481 4.070 20 30 HIEDRN N#Cc1cc(NCCc2ccc(OCC(F)(F)F)nc2)nc2ccc([N+](=O)[O-])cc12 ZINC000475741635 890684319 /nfs/dbraw/zinc/68/43/19/890684319.db2.gz XFFLVCHJFIQAGC-UHFFFAOYSA-N 0 0 417.347 4.005 20 30 HIEDRN CCSc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC000504741027 913479671 /nfs/dbraw/zinc/47/96/71/913479671.db2.gz JHAQSGBGPMOQCK-INIZCTEOSA-N 0 0 416.568 4.367 20 30 HIEDRN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475784786 890726673 /nfs/dbraw/zinc/72/66/73/890726673.db2.gz AGIQGOASRZBWOK-PXAZEXFGSA-N 0 0 411.310 4.016 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cc(-c4ccccc4)ns3)CC2)c(F)c1 ZINC000475792352 890730856 /nfs/dbraw/zinc/73/08/56/890730856.db2.gz DRBUXXHESXEDTD-UHFFFAOYSA-N 0 0 407.474 4.175 20 30 HIEDRN Cc1ccc(C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2ccccn2)cc1 ZINC000475793760 890733328 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CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000504754833 913491751 /nfs/dbraw/zinc/49/17/51/913491751.db2.gz MKAQAZFRWKPNSL-NSHDSACASA-N 0 0 400.533 4.344 20 30 HIEDRN C=CCn1c(SCc2ccc(Cl)cc2-n2cncn2)nnc1-c1ccccn1 ZINC000475891765 890824589 /nfs/dbraw/zinc/82/45/89/890824589.db2.gz LQFPNHXHYUAVMT-UHFFFAOYSA-N 0 0 409.906 4.053 20 30 HIEDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000475895825 890827730 /nfs/dbraw/zinc/82/77/30/890827730.db2.gz AJYMVGQOJOXVQX-MHTXLSKPSA-N 0 0 422.472 4.197 20 30 HIEDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000475895823 890828025 /nfs/dbraw/zinc/82/80/25/890828025.db2.gz AJYMVGQOJOXVQX-HOLBHBGLSA-N 0 0 422.472 4.197 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)[C@@H]1Cc2ccccc21 ZINC000475903678 890833521 /nfs/dbraw/zinc/83/35/21/890833521.db2.gz YHPLDDWGJVCYSE-HXUWFJFHSA-N 0 0 405.523 4.353 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCc2cccc(-c3ccccc3)c2)c1 ZINC000475906482 890835885 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HIEDRN N#CC1(CS(=O)(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CCCCC1 ZINC000476339938 891244279 /nfs/dbraw/zinc/24/42/79/891244279.db2.gz RKSNHQPYGXRMEE-KRWDZBQOSA-N 0 0 406.939 4.157 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000476369162 891279899 /nfs/dbraw/zinc/27/98/99/891279899.db2.gz XNBKVXCTFFTSHL-IBGZPJMESA-N 0 0 423.582 4.215 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000476400090 891316008 /nfs/dbraw/zinc/31/60/08/891316008.db2.gz KFHYCXOGNGXMTA-CQSZACIVSA-N 0 0 421.975 4.115 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000476400089 891316269 /nfs/dbraw/zinc/31/62/69/891316269.db2.gz KFHYCXOGNGXMTA-AWEZNQCLSA-N 0 0 421.975 4.115 20 30 HIEDRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2F)nnc1-c1ccc(OC)cc1 ZINC000476480637 891391254 /nfs/dbraw/zinc/39/12/54/891391254.db2.gz JVJRGIXWYFULLH-UHFFFAOYSA-N 0 0 400.435 4.479 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc([C@@H](C)OC)no1 ZINC000476522378 891435725 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HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000476649989 891591397 /nfs/dbraw/zinc/59/13/97/891591397.db2.gz VMJATXABNZPSML-QGZVFWFLSA-N 0 0 412.493 4.366 20 30 HIEDRN CCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000476655550 891600022 /nfs/dbraw/zinc/60/00/22/891600022.db2.gz HCLOXQJDPIXAPT-CTNGQTDRSA-N 0 0 415.459 4.470 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(OCCF)c3)CC2)c(F)c1 ZINC000476680451 891630811 /nfs/dbraw/zinc/63/08/11/891630811.db2.gz JKXIBBNNOOHZTJ-UHFFFAOYSA-N 0 0 401.413 4.121 20 30 HIEDRN C=C(C)[C@H](NC(=O)NCc1cccnc1OCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000476728224 891695430 /nfs/dbraw/zinc/69/54/30/891695430.db2.gz RHOUAHXCAVQGEO-INIZCTEOSA-N 0 0 415.362 4.418 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CNS(=O)(=O)CC)cc1 ZINC000476768641 891742421 /nfs/dbraw/zinc/74/24/21/891742421.db2.gz BGPPRLCHLPWDOV-UHFFFAOYSA-N 0 0 400.544 4.230 20 30 HIEDRN COC(=O)c1ccc([C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C(F)(F)F)cc1 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COC(=O)c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc(Br)c1F ZINC000477080845 892015327 /nfs/dbraw/zinc/01/53/27/892015327.db2.gz AMVBMXMAZYKUSP-CYBMUJFWSA-N 0 0 419.250 4.401 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)ccc1F ZINC000477095942 892029220 /nfs/dbraw/zinc/02/92/20/892029220.db2.gz IMZVXPAPQUFXBU-UHFFFAOYSA-N 0 0 410.392 4.194 20 30 HIEDRN CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000504887914 913619958 /nfs/dbraw/zinc/61/99/58/913619958.db2.gz MARASQDGHODCNO-UHFFFAOYSA-N 0 0 412.555 4.453 20 30 HIEDRN CCOC(=O)c1csc(C2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)n1 ZINC000477119969 892050198 /nfs/dbraw/zinc/05/01/98/892050198.db2.gz IJTWJKSKWUGETK-SFHVURJKSA-N 0 0 411.527 4.113 20 30 HIEDRN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)Nc1ccc(C#N)cc1 ZINC000477132255 892059482 /nfs/dbraw/zinc/05/94/82/892059482.db2.gz COVOSJLDYPAQIN-UHFFFAOYSA-N 0 0 409.287 4.435 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cc3sc(N4CCCC4)nc3s2)CCC[C@@]12CCCCO2 ZINC000477137351 892064195 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418.497 4.089 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000482305634 897803422 /nfs/dbraw/zinc/80/34/22/897803422.db2.gz VMNZBOIZVAXMAM-UHFFFAOYSA-N 0 0 420.563 4.304 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000505505072 914194872 /nfs/dbraw/zinc/19/48/72/914194872.db2.gz HZCJKVWKOATEEW-AEFFLSMTSA-N 0 0 418.415 4.417 20 30 HIEDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000482335166 897839901 /nfs/dbraw/zinc/83/99/01/897839901.db2.gz NPVDKGKBZPZEMF-PXNSSMCTSA-N 0 0 409.555 4.404 20 30 HIEDRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000482335168 897840127 /nfs/dbraw/zinc/84/01/27/897840127.db2.gz NPVDKGKBZPZEMF-YLJYHZDGSA-N 0 0 409.555 4.404 20 30 HIEDRN COC(=O)CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1cccc(F)c1 ZINC000482340873 897847845 /nfs/dbraw/zinc/84/78/45/897847845.db2.gz AFVDNUVESHBGKK-UHFFFAOYSA-N 0 0 404.397 4.309 20 30 HIEDRN COc1ccc2cc([C@H](C)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000482340598 897847921 /nfs/dbraw/zinc/84/79/21/897847921.db2.gz CCJYKHXFKRMSQU-IBGZPJMESA-N 0 0 413.521 4.168 20 30 HIEDRN COc1cccc(N2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)c1 ZINC000482368635 897888408 /nfs/dbraw/zinc/88/84/08/897888408.db2.gz UQBIUPKYOHKANM-UHFFFAOYSA-N 0 0 413.477 4.322 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(CC)c2nc(C)cs2)nnc1-c1ccco1 ZINC000482392653 897925790 /nfs/dbraw/zinc/92/57/90/897925790.db2.gz VIECHJVGBQSKBV-UHFFFAOYSA-N 0 0 403.533 4.024 20 30 HIEDRN COC(=O)c1ccc([C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C(F)(F)F)cc1 ZINC000482459576 898030467 /nfs/dbraw/zinc/03/04/67/898030467.db2.gz VRQROBMBMPRKLR-MSOLQXFVSA-N 0 0 419.403 4.421 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)NC1(Cc2cccc(F)c2)CCC1)c1ccccc1 ZINC000482465471 898040148 /nfs/dbraw/zinc/04/01/48/898040148.db2.gz ALTMCQUOPPRJBT-UHFFFAOYSA-N 0 0 407.489 4.134 20 30 HIEDRN CCc1nnc(-c2ccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc2)o1 ZINC000482493304 898071905 /nfs/dbraw/zinc/07/19/05/898071905.db2.gz YPKZMFOGFSJSOJ-UHFFFAOYSA-N 0 0 405.483 4.417 20 30 HIEDRN CCS[C@@H]1CCCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000482498309 898078683 /nfs/dbraw/zinc/07/86/83/898078683.db2.gz DHPXCAZXDDDNEG-HZPDHXFCSA-N 0 0 405.589 4.011 20 30 HIEDRN CCCc1c(NC(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482510655 898094630 /nfs/dbraw/zinc/09/46/30/898094630.db2.gz YZUMNTDUUDDCTL-RCDICMHDSA-N 0 0 419.460 4.479 20 30 HIEDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)NCC(C)(C)CCC#N ZINC000482525554 898113389 /nfs/dbraw/zinc/11/33/89/898113389.db2.gz JYEUCWNPIPQUMG-UHFFFAOYSA-N 0 0 402.539 4.152 20 30 HIEDRN N#Cc1ccccc1COc1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)cc1 ZINC000482580786 898176973 /nfs/dbraw/zinc/17/69/73/898176973.db2.gz MJGMMFYMXHOJGT-UHFFFAOYSA-N 0 0 420.432 4.435 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c(OC)c1 ZINC000505533354 914227634 /nfs/dbraw/zinc/22/76/34/914227634.db2.gz QGEXKMQRIKVDNG-INIZCTEOSA-N 0 0 405.281 4.490 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1c(Cl)cccc1Cl ZINC000505534292 914229026 /nfs/dbraw/zinc/22/90/26/914229026.db2.gz VNEBOLUPQARBMB-CQSZACIVSA-N 0 0 411.672 4.342 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000505534630 914230272 /nfs/dbraw/zinc/23/02/72/914230272.db2.gz YBCZWAXIAZVDTJ-KRWDZBQOSA-N 0 0 404.301 4.034 20 30 HIEDRN C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CC(C)(C#N)C1 ZINC000482613655 898215252 /nfs/dbraw/zinc/21/52/52/898215252.db2.gz CUERIDPIKXITQC-CYBMUJFWSA-N 0 0 424.551 4.058 20 30 HIEDRN CCS[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000482662346 898265074 /nfs/dbraw/zinc/26/50/74/898265074.db2.gz VCIWIGBZLXYSPB-NRFANRHFSA-N 0 0 423.538 4.423 20 30 HIEDRN CCS[C@@H]1CCCCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000482670232 898273464 /nfs/dbraw/zinc/27/34/64/898273464.db2.gz GIULBXLDPTZAFS-HZPDHXFCSA-N 0 0 405.589 4.154 20 30 HIEDRN C[C@H](c1nnc(-c2ccccc2F)s1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000482697202 898295877 /nfs/dbraw/zinc/29/58/77/898295877.db2.gz JNYMUHVKDHHIKB-QGZVFWFLSA-N 0 0 421.545 4.485 20 30 HIEDRN CCc1c(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)cnn1C(CC)CC ZINC000482710336 898310320 /nfs/dbraw/zinc/31/03/20/898310320.db2.gz DYAVMXQRKJJMIE-GOSISDBHSA-N 0 0 408.550 4.237 20 30 HIEDRN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000482754035 898360539 /nfs/dbraw/zinc/36/05/39/898360539.db2.gz XRKCLJXZFTVUSK-NYHFZMIOSA-N 0 0 413.905 4.213 20 30 HIEDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2cc(C3CC3)nc(SC)c2C#N)n1 ZINC000482781026 898388574 /nfs/dbraw/zinc/38/85/74/898388574.db2.gz RHEYIFYVOPPBST-LLVKDONJSA-N 0 0 417.560 4.022 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000482836909 898445341 /nfs/dbraw/zinc/44/53/41/898445341.db2.gz PIHKKEODMVHZPY-UHFFFAOYSA-N 0 0 405.523 4.274 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 ZINC000482851549 898461661 /nfs/dbraw/zinc/46/16/61/898461661.db2.gz XOXKBGGYITYSKL-UHFFFAOYSA-N 0 0 421.478 4.204 20 30 HIEDRN CN(C)C(=O)c1cccc(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c1 ZINC000482877468 898489890 /nfs/dbraw/zinc/48/98/90/898489890.db2.gz KLOALGHKAQZAFP-UHFFFAOYSA-N 0 0 413.477 4.286 20 30 HIEDRN CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000482920011 898538639 /nfs/dbraw/zinc/53/86/39/898538639.db2.gz LKLNFIJZALRXHG-SFHVURJKSA-N 0 0 407.470 4.466 20 30 HIEDRN C[C@H](CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[S@](C)=O ZINC000483050243 898722286 /nfs/dbraw/zinc/72/22/86/898722286.db2.gz KGFMFQIEGCWDRB-FDPAEGIPSA-N 0 0 403.935 4.274 20 30 HIEDRN COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccnc(C#N)c3)sc2c1 ZINC000483104472 898796290 /nfs/dbraw/zinc/79/62/90/898796290.db2.gz UXPDZHXPJAZYAS-UHFFFAOYSA-N 0 0 400.463 4.419 20 30 HIEDRN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cnn(C)c3C#N)sc2c1 ZINC000483108449 898802091 /nfs/dbraw/zinc/80/20/91/898802091.db2.gz YUSYBDLHVUMRIJ-UHFFFAOYSA-N 0 0 417.494 4.147 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC000483131622 898814014 /nfs/dbraw/zinc/81/40/14/898814014.db2.gz BUGBDPYJSLGBKE-IBGZPJMESA-N 0 0 406.482 4.182 20 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VJXSYTBEYLNJHU-JOCHJYFZSA-N 0 0 408.477 4.055 20 30 HIEDRN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000483360487 898997367 /nfs/dbraw/zinc/99/73/67/898997367.db2.gz ZTIMPGYJQDIUKV-QGZVFWFLSA-N 0 0 414.893 4.446 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000483413194 899043648 /nfs/dbraw/zinc/04/36/48/899043648.db2.gz BUHFXOGXKCBTDL-IIBYNOLFSA-N 0 0 415.921 4.146 20 30 HIEDRN N#Cc1ccc(SCC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000483420784 899050097 /nfs/dbraw/zinc/05/00/97/899050097.db2.gz YPNLABBSEIVQJS-UHFFFAOYSA-N 0 0 419.481 4.358 20 30 HIEDRN Cn1c2ccccc2nc1[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000483443054 899078008 /nfs/dbraw/zinc/07/80/08/899078008.db2.gz VSMNLQFSKCRHSK-QHCPKHFHSA-N 0 0 412.518 4.443 20 30 HIEDRN Cn1c2ccccc2nc1[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000483443052 899078847 /nfs/dbraw/zinc/07/88/47/899078847.db2.gz VSMNLQFSKCRHSK-HSZRJFAPSA-N 0 0 412.518 4.443 20 30 HIEDRN 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C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccccc3F)o2)cc1 ZINC000489814544 903610315 /nfs/dbraw/zinc/61/03/15/903610315.db2.gz WMIZLVHEMZCYJT-AWEZNQCLSA-N 0 0 413.474 4.238 20 30 HIEDRN N#Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000489821679 903615381 /nfs/dbraw/zinc/61/53/81/903615381.db2.gz BCWKLAZAFREICW-UHFFFAOYSA-N 0 0 420.885 4.071 20 30 HIEDRN COC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1SCC#N ZINC000490077907 903760673 /nfs/dbraw/zinc/76/06/73/903760673.db2.gz FMURIFDLJHLNMO-GOSISDBHSA-N 0 0 403.935 4.214 20 30 HIEDRN C=CCn1cccc1C(=O)N(CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000490078497 903760896 /nfs/dbraw/zinc/76/08/96/903760896.db2.gz HNSJXEGPKOIACP-UHFFFAOYSA-N 0 0 409.436 4.233 20 30 HIEDRN CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490094940 903768711 /nfs/dbraw/zinc/76/87/11/903768711.db2.gz RDUDWJWXUPVUCE-MRXNPFEDSA-N 0 0 412.921 4.198 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000490197661 903822025 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HIEDRN Cc1cnn(-c2c(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(C)nn2C)c1 ZINC000490247833 903851818 /nfs/dbraw/zinc/85/18/18/903851818.db2.gz MQWFIJUEQFYCBK-KRWDZBQOSA-N 0 0 424.508 4.252 20 30 HIEDRN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cnc(C(F)(F)F)nc1 ZINC000490275250 903869254 /nfs/dbraw/zinc/86/92/54/903869254.db2.gz VZSMYXZLBGEAHU-JTQLQIEISA-N 0 0 415.240 4.130 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000490296457 903884104 /nfs/dbraw/zinc/88/41/04/903884104.db2.gz CINQKOJAHRRUTJ-WMLDXEAASA-N 0 0 412.490 4.004 20 30 HIEDRN C[C@@H](C#N)CN(C(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)C1CC1 ZINC000490325904 903908457 /nfs/dbraw/zinc/90/84/57/903908457.db2.gz DKVFEXSEJRDYDP-JTQLQIEISA-N 0 0 411.409 4.260 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c(Cl)c1 ZINC000490358816 903951074 /nfs/dbraw/zinc/95/10/74/903951074.db2.gz CBJHKJMPXDDLSF-OAHLLOKOSA-N 0 0 402.281 4.037 20 30 HIEDRN Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3ccc(C#N)cc3Cl)cc2)cs1 ZINC000490371766 903964475 /nfs/dbraw/zinc/96/44/75/903964475.db2.gz NIVGFTYUPRUPHR-LBPRGKRZSA-N 0 0 424.913 4.460 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c(Cl)c1 ZINC000490371202 903964677 /nfs/dbraw/zinc/96/46/77/903964677.db2.gz NFCQLBNMRSSBSP-HXUWFJFHSA-N 0 0 407.832 4.195 20 30 HIEDRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000490379298 903972344 /nfs/dbraw/zinc/97/23/44/903972344.db2.gz SNIZNTRPHPQEEQ-SJLPKXTDSA-N 0 0 418.419 4.118 20 30 HIEDRN CC[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1OC(F)F ZINC000490385243 903975687 /nfs/dbraw/zinc/97/56/87/903975687.db2.gz JSGWGYFDQOQUMT-AWEZNQCLSA-N 0 0 407.804 4.019 20 30 HIEDRN C=CCN(Cc1cc(Cl)cc2cccnc21)S(=O)(=O)c1ccc(OC)cc1 ZINC000506066664 914769492 /nfs/dbraw/zinc/76/94/92/914769492.db2.gz MBWDLORGLNTZAD-UHFFFAOYSA-N 0 0 402.903 4.274 20 30 HIEDRN N#CCCN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000490421570 903999021 /nfs/dbraw/zinc/99/90/21/903999021.db2.gz YKMFPBLIRIJGAL-UHFFFAOYSA-N 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N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCN2CCSCC2)cc1Cl ZINC000490624661 904144393 /nfs/dbraw/zinc/14/43/93/904144393.db2.gz VJAPWWLNVKZHLY-IBGZPJMESA-N 0 0 414.962 4.166 20 30 HIEDRN N#CCCN(CCC#N)C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC000490628232 904146060 /nfs/dbraw/zinc/14/60/60/904146060.db2.gz HCRYHFGWVNFELX-UHFFFAOYSA-N 0 0 412.287 4.298 20 30 HIEDRN CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000490647794 904154461 /nfs/dbraw/zinc/15/44/61/904154461.db2.gz ISLJCTFYWBGRGP-HXUWFJFHSA-N 0 0 419.525 4.309 20 30 HIEDRN Cc1ccc2oc(N3CCN(C(=O)Nc4ccc(C(C)(C)C#N)cc4)CC3)nc2c1 ZINC000490666588 904162992 /nfs/dbraw/zinc/16/29/92/904162992.db2.gz GAHDBCQPYJNMEF-UHFFFAOYSA-N 0 0 403.486 4.292 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000490721295 904192600 /nfs/dbraw/zinc/19/26/00/904192600.db2.gz QSJDXCHECDHYAQ-UHFFFAOYSA-N 0 0 409.486 4.066 20 30 HIEDRN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1 ZINC000490772123 904224025 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N#Cc1ccc(N2CC[C@H](C(=O)NCC[C@@H](c3ccccc3)C(F)(F)F)C2)c(F)c1 ZINC000490934965 904325660 /nfs/dbraw/zinc/32/56/60/904325660.db2.gz MJVNBMOTPFDTTI-ROUUACIJSA-N 0 0 419.422 4.376 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)CNC(=O)NCc3ccco3)cc2Cl)cc1 ZINC000491031127 904382534 /nfs/dbraw/zinc/38/25/34/904382534.db2.gz YCDWWGXOYQXEKT-UHFFFAOYSA-N 0 0 424.844 4.035 20 30 HIEDRN COc1ccc([C@@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1OC ZINC000506107466 914806325 /nfs/dbraw/zinc/80/63/25/914806325.db2.gz QOXAYJJSYKOQJH-GFCCVEGCSA-N 0 0 423.391 4.399 20 30 HIEDRN COc1cc(OC)c(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1Br ZINC000491088697 904421184 /nfs/dbraw/zinc/42/11/84/904421184.db2.gz YCKPTMOYOGLCAW-UHFFFAOYSA-N 0 0 401.260 4.008 20 30 HIEDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000491091655 904422690 /nfs/dbraw/zinc/42/26/90/904422690.db2.gz QBYBEJJAKVTWRK-XMMPIXPASA-N 0 0 404.558 4.481 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)c(C)cc2OC)cc1 ZINC000506123506 914813006 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C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000491607865 904674499 /nfs/dbraw/zinc/67/44/99/904674499.db2.gz RVPLXEJZSFSZTO-DLBZAZTESA-N 0 0 415.559 4.017 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)cc1F ZINC000491830569 904703971 /nfs/dbraw/zinc/70/39/71/904703971.db2.gz DWMUULCEKUFQSI-HNNXBMFYSA-N 0 0 417.387 4.122 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(c3ncc(Br)cc3Cl)CC2)c1 ZINC000491895264 904722176 /nfs/dbraw/zinc/72/21/76/904722176.db2.gz SSWLNIUSCLBXGI-UHFFFAOYSA-N 0 0 419.710 4.224 20 30 HIEDRN Cc1cccc(C)c1-n1nnnc1CSCc1cc(C#N)ccc1Br ZINC000492111586 904800758 /nfs/dbraw/zinc/80/07/58/904800758.db2.gz VJPRRPGDCOVLEE-UHFFFAOYSA-N 0 0 414.332 4.347 20 30 HIEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CSC[C@H]2CCCO2)c1C#N ZINC000492150475 904806583 /nfs/dbraw/zinc/80/65/83/904806583.db2.gz IZOPMZMUBKZDIN-GOSISDBHSA-N 0 0 401.507 4.015 20 30 HIEDRN Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nn1-c1cccc(C#N)c1 ZINC000506207382 914845309 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CC[C@H]1Oc2cc([C@H](C)NCc3cc(C#N)ccc3Br)ccc2NC1=O ZINC000492609709 904876818 /nfs/dbraw/zinc/87/68/18/904876818.db2.gz VLVXBLMEURMIRR-KPZWWZAWSA-N 0 0 414.303 4.281 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000492696904 904890149 /nfs/dbraw/zinc/89/01/49/904890149.db2.gz PMTNCQRPCDYTRE-UHFFFAOYSA-N 0 0 423.314 4.043 20 30 HIEDRN CC(C)(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000492723307 904893547 /nfs/dbraw/zinc/89/35/47/904893547.db2.gz PRKNCUPZOTXXGJ-UHFFFAOYSA-N 0 0 424.444 4.287 20 30 HIEDRN COc1ccccc1C1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCCCC1 ZINC000492945716 904959659 /nfs/dbraw/zinc/95/96/59/904959659.db2.gz PDEFTEWIYBWQPL-QHCPKHFHSA-N 0 0 404.510 4.369 20 30 HIEDRN CNC(=O)c1cccc(CSCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000506241959 914859356 /nfs/dbraw/zinc/85/93/56/914859356.db2.gz YKFHNBGROQPOMA-HNNXBMFYSA-N 0 0 413.568 4.312 20 30 HIEDRN C=CCNC(=O)c1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)nc1 ZINC000493036904 904999408 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CCc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cnn1CC(C)C ZINC000535881692 933463319 /nfs/dbraw/zinc/46/33/19/933463319.db2.gz RZGSEFSPJXRYBM-UHFFFAOYSA-N 0 0 415.497 4.478 20 30 HIEDRN COC(=O)c1cccc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)c1C#N ZINC000535894132 933475083 /nfs/dbraw/zinc/47/50/83/933475083.db2.gz AGFXXGHPMYDDOM-UHFFFAOYSA-N 0 0 411.461 4.160 20 30 HIEDRN COc1cc(C#N)ccc1OC[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000535911460 933486345 /nfs/dbraw/zinc/48/63/45/933486345.db2.gz XYMPRTJZUITRPZ-WIOPSUGQSA-N 0 0 403.478 4.421 20 30 HIEDRN CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000535939968 933505976 /nfs/dbraw/zinc/50/59/76/933505976.db2.gz XVRDCNPNHMWFAH-VABKMULXSA-N 0 0 416.529 4.299 20 30 HIEDRN COC(=O)c1cccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1C#N ZINC000535962423 933527503 /nfs/dbraw/zinc/52/75/03/933527503.db2.gz DCTVVZORBOXZMA-CYBMUJFWSA-N 0 0 409.433 4.200 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536004179 933563140 /nfs/dbraw/zinc/56/31/40/933563140.db2.gz UHFGIUDCZFRPFH-AWEZNQCLSA-N 0 0 424.526 4.182 20 30 HIEDRN C=C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 ZINC000536085333 933633523 /nfs/dbraw/zinc/63/35/23/933633523.db2.gz YECJYSFJOMGLKJ-QGZVFWFLSA-N 0 0 410.495 4.057 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)CCc2cc(Br)ccc2F)cc1 ZINC000536087310 933634969 /nfs/dbraw/zinc/63/49/69/933634969.db2.gz CBOSTWXZQSKDBA-UHFFFAOYSA-N 0 0 420.282 4.467 20 30 HIEDRN N#CC1(c2ccccc2)CCC(Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)CC1 ZINC000536104081 933656250 /nfs/dbraw/zinc/65/62/50/933656250.db2.gz VJWUWFJDHDSXFP-GZSFQLOGSA-N 0 0 417.553 4.347 20 30 HIEDRN COc1ccc(-n2nc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2C)cc1 ZINC000536115725 933664646 /nfs/dbraw/zinc/66/46/46/933664646.db2.gz FCEJCKCJPTZJLG-SFHVURJKSA-N 0 0 415.280 4.491 20 30 HIEDRN Cc1c(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cnn1C ZINC000536118949 933668011 /nfs/dbraw/zinc/66/80/11/933668011.db2.gz DOTZSJPQXCLTAD-UHFFFAOYSA-N 0 0 408.889 4.404 20 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Cc1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1Br ZINC000562892255 945142154 /nfs/dbraw/zinc/14/21/54/945142154.db2.gz KSCKZVFXWQDKFD-AWEZNQCLSA-N 0 0 402.267 4.233 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000562911236 945149970 /nfs/dbraw/zinc/14/99/70/945149970.db2.gz IUMIOPSYVOPGSP-UHFFFAOYSA-N 0 0 412.287 4.091 20 30 HIEDRN Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)[nH]1 ZINC000537544589 938319915 /nfs/dbraw/zinc/31/99/15/938319915.db2.gz XCNHVWJYUAKDNV-QGZVFWFLSA-N 0 0 403.511 4.156 20 30 HIEDRN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000537569648 938326991 /nfs/dbraw/zinc/32/69/91/938326991.db2.gz LFJBKTWZDDYOJW-PKOBYXMFSA-N 0 0 405.498 4.164 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000537574135 938327822 /nfs/dbraw/zinc/32/78/22/938327822.db2.gz WOGZSPZFYJGNHP-CQSZACIVSA-N 0 0 409.452 4.389 20 30 HIEDRN CCN(C[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C1)CC(F)(F)F ZINC000563269212 945165508 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Cc1cccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1I ZINC000537715682 938362060 /nfs/dbraw/zinc/36/20/60/938362060.db2.gz MLGAJASKRHKLSS-UHFFFAOYSA-N 0 0 417.250 4.298 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000537716484 938362267 /nfs/dbraw/zinc/36/22/67/938362267.db2.gz YLTLMAILZUSCAO-KRWDZBQOSA-N 0 0 422.916 4.277 20 30 HIEDRN COc1ccc(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1OCCCC#N ZINC000537723948 938363238 /nfs/dbraw/zinc/36/32/38/938363238.db2.gz RIBIFZKSAZTQAQ-OAQYLSRUSA-N 0 0 409.486 4.107 20 30 HIEDRN CS(=O)(=O)Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000537732463 938365416 /nfs/dbraw/zinc/36/54/16/938365416.db2.gz PXDUDHQJRXCEFT-UHFFFAOYSA-N 0 0 406.507 4.294 20 30 HIEDRN CC(=O)c1cccc(OCc2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)no2)c1 ZINC000537759983 938371244 /nfs/dbraw/zinc/37/12/44/938371244.db2.gz RVFGUBBPSJFNQH-UHFFFAOYSA-N 0 0 409.829 4.258 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](CO)c2c(F)cccc2F)cc1 ZINC000537769034 938373272 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20 30 HIEDRN CCN1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538022645 938466667 /nfs/dbraw/zinc/46/66/67/938466667.db2.gz YWSUMSGXNXRWJI-SFTDATJTSA-N 0 0 411.908 4.334 20 30 HIEDRN C=CCn1c(S[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)nnc1-c1ccco1 ZINC000563319149 945178362 /nfs/dbraw/zinc/17/83/62/945178362.db2.gz WYIGSVPTBLAGDN-KSSFIOAISA-N 0 0 412.490 4.317 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1 ZINC000538053061 938485545 /nfs/dbraw/zinc/48/55/45/938485545.db2.gz DCGGFRRIVNYMQQ-OAQYLSRUSA-N 0 0 410.477 4.150 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000563321146 945179484 /nfs/dbraw/zinc/17/94/84/945179484.db2.gz ZQKMLZMKUXEPPP-JOCHJYFZSA-N 0 0 402.454 4.477 20 30 HIEDRN N#Cc1ccc(OCC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC000563321420 945179578 /nfs/dbraw/zinc/17/95/78/945179578.db2.gz DOVCIYZKPRTREP-OAQYLSRUSA-N 0 0 418.415 4.240 20 30 HIEDRN 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HIEDRN CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543921001 940246527 /nfs/dbraw/zinc/24/65/27/940246527.db2.gz WJTQXPZMUOCBOM-QGZVFWFLSA-N 0 0 413.477 4.440 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543922477 940246945 /nfs/dbraw/zinc/24/69/45/940246945.db2.gz GETRMARHUFKUIO-MRXNPFEDSA-N 0 0 411.461 4.071 20 30 HIEDRN CCCCn1nccc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543923270 940247754 /nfs/dbraw/zinc/24/77/54/940247754.db2.gz JZFJABNJWOBRRH-KRWDZBQOSA-N 0 0 415.497 4.038 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CSc2nc3ccccc3o2)n1 ZINC000543926205 940249204 /nfs/dbraw/zinc/24/92/04/940249204.db2.gz IVRHYVSKDXOLEE-UHFFFAOYSA-N 0 0 409.858 4.269 20 30 HIEDRN CCn1cc(Br)cc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543929028 940250163 /nfs/dbraw/zinc/25/01/63/940250163.db2.gz MLKVJWDECWYXOX-UHFFFAOYSA-N 0 0 418.682 4.234 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000543932457 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N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)c(F)c1 ZINC000556875327 942947013 /nfs/dbraw/zinc/94/70/13/942947013.db2.gz YRBAPNZWKQXHKB-UHFFFAOYSA-N 0 0 407.367 4.293 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000556926961 942969371 /nfs/dbraw/zinc/96/93/71/942969371.db2.gz FRYQSRIZYPDCOS-UHFFFAOYSA-N 0 0 422.510 4.312 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)CSc1nnc(C)n1-c1cc(C)ccc1C ZINC000556927948 942970656 /nfs/dbraw/zinc/97/06/56/942970656.db2.gz SRSSZWWRGGDEPD-UHFFFAOYSA-N 0 0 420.542 4.227 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000556957814 942979497 /nfs/dbraw/zinc/97/94/97/942979497.db2.gz FUCUZVBBBVJPER-LJQANCHMSA-N 0 0 408.502 4.021 20 30 HIEDRN C=CC1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCOCC)CC1 ZINC000557003651 942991491 /nfs/dbraw/zinc/99/14/91/942991491.db2.gz MVXJJFMBEJCVKJ-UHFFFAOYSA-N 0 0 406.534 4.164 20 30 HIEDRN CCc1c(C(=O)Nc2cc(C#N)ccc2NC)cnn1-c1ccc(Br)cc1 ZINC000557060971 943008435 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20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)NCCCCOc3ccc(Cl)cc3)C2)c(F)c1 ZINC000557394557 943099470 /nfs/dbraw/zinc/09/94/70/943099470.db2.gz HGTZGRYNMOBDTL-KRWDZBQOSA-N 0 0 415.896 4.152 20 30 HIEDRN C=CCN(CCC#N)C(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000557397312 943102197 /nfs/dbraw/zinc/10/21/97/943102197.db2.gz GZUMTEAMOUFPAV-UHFFFAOYSA-N 0 0 405.542 4.061 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(NC(=O)CCC)c2C)C(=O)[C@H]1Cc1ccccc1 ZINC000557404260 943106643 /nfs/dbraw/zinc/10/66/43/943106643.db2.gz CBMUHFAXIOLYQO-OAQYLSRUSA-N 0 0 405.498 4.300 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000557436873 943124934 /nfs/dbraw/zinc/12/49/34/943124934.db2.gz JUONDHHKAZDEKU-QUCCMNQESA-N 0 0 412.452 4.304 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(Cc4cccc(F)c4)CC3)C2)c(F)c1 ZINC000557443979 943129446 /nfs/dbraw/zinc/12/94/46/943129446.db2.gz IVFMXMWTQZVHFP-FQEVSTJZSA-N 0 0 409.480 4.144 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(-c4c(F)cccc4F)c3)C2)nc1 ZINC000557473664 943151351 /nfs/dbraw/zinc/15/13/51/943151351.db2.gz RDYQSHLGNJPTGL-SFHVURJKSA-N 0 0 405.404 4.192 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)C3(Cc4cccc(F)c4)CCCCC3)C2)nc1 ZINC000557473666 943152264 /nfs/dbraw/zinc/15/22/64/943152264.db2.gz REUKKRBDNSHYCW-NRFANRHFSA-N 0 0 407.489 4.265 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000557487171 943163250 /nfs/dbraw/zinc/16/32/50/943163250.db2.gz SFQAALATACJIEL-UHFFFAOYSA-N 0 0 402.494 4.129 20 30 HIEDRN C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)Oc1ccccc1 ZINC000557533123 943194913 /nfs/dbraw/zinc/19/49/13/943194913.db2.gz JFEUJLQUCNYPSH-QGZVFWFLSA-N 0 0 411.933 4.402 20 30 HIEDRN C=CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1nc2c(s1)CCCC2 ZINC000557562821 943211064 /nfs/dbraw/zinc/21/10/64/943211064.db2.gz GPMQNQRAXODMHG-MRXNPFEDSA-N 0 0 410.518 4.078 20 30 HIEDRN CC[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H](C)[S@@]1=O ZINC000557579179 943217494 /nfs/dbraw/zinc/21/74/94/943217494.db2.gz XFEXWVJZPWIAHO-AZMQUPJVSA-N 0 0 416.930 4.376 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000557588521 943221416 /nfs/dbraw/zinc/22/14/16/943221416.db2.gz DEHMNIQXVBSJEN-UHFFFAOYSA-N 0 0 403.276 4.234 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000557590006 943222731 /nfs/dbraw/zinc/22/27/31/943222731.db2.gz PCKKVQINMRMLSK-UHFFFAOYSA-N 0 0 423.513 4.483 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000557589860 943222843 /nfs/dbraw/zinc/22/28/43/943222843.db2.gz ZSVQZSGHZMRANB-IBGZPJMESA-N 0 0 408.527 4.170 20 30 HIEDRN Cc1c(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cnn1-c1cc(C)ccc1C ZINC000557599404 943226464 /nfs/dbraw/zinc/22/64/64/943226464.db2.gz ACGDRYGQGPXXPN-LJQANCHMSA-N 0 0 417.488 4.273 20 30 HIEDRN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000557613397 943231864 /nfs/dbraw/zinc/23/18/64/943231864.db2.gz MGMALRZIWNDBQS-YOEHRIQHSA-N 0 0 419.422 4.290 20 30 HIEDRN C=CCCOCCCCC(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000557626391 943238003 /nfs/dbraw/zinc/23/80/03/943238003.db2.gz UYHUCZRERKEXFD-UHFFFAOYSA-N 0 0 407.942 4.088 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000557629942 943238785 /nfs/dbraw/zinc/23/87/85/943238785.db2.gz BRLXUANIHGLTAA-FQEVSTJZSA-N 0 0 417.435 4.247 20 30 HIEDRN Cc1cc(Br)cn2cc(CNc3nc4cc(Cl)ccn4c3C#N)nc12 ZINC000557636232 943241680 /nfs/dbraw/zinc/24/16/80/943241680.db2.gz IRQKYRTYIDUBQW-UHFFFAOYSA-N 0 0 415.682 4.190 20 30 HIEDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1nc2cc(Cl)ccn2c1C#N ZINC000557639566 943244671 /nfs/dbraw/zinc/24/46/71/943244671.db2.gz QXXFIUFIMAFTKV-HNNXBMFYSA-N 0 0 422.920 4.289 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)NC[C@H]3CCOc4ccccc43)s2)cc1 ZINC000557654801 943249370 /nfs/dbraw/zinc/24/93/70/943249370.db2.gz LWLWCQSXCZPZJM-QGZVFWFLSA-N 0 0 404.495 4.293 20 30 HIEDRN Cc1nc(CC(C)C)c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000557663930 943251466 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HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000558173275 943408811 /nfs/dbraw/zinc/40/88/11/943408811.db2.gz LLEIXBAOCGROSP-AWEZNQCLSA-N 0 0 421.324 4.394 20 30 HIEDRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000558213473 943436484 /nfs/dbraw/zinc/43/64/84/943436484.db2.gz DKARJRNPKLCTTD-UHFFFAOYSA-N 0 0 409.287 4.435 20 30 HIEDRN CSC[C@@](C)(C#N)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000558251932 943461217 /nfs/dbraw/zinc/46/12/17/943461217.db2.gz UYEJYJNCWOPVST-CYBMUJFWSA-N 0 0 402.364 4.009 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000558307943 943496898 /nfs/dbraw/zinc/49/68/98/943496898.db2.gz NZLJYFUEUFEFSD-IFMALSPDSA-N 0 0 420.513 4.474 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000558308449 943497781 /nfs/dbraw/zinc/49/77/81/943497781.db2.gz XJEMWTIJJYIISX-SFHVURJKSA-N 0 0 411.849 4.213 20 30 HIEDRN COCC(C)(C)CCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000558311120 943498578 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C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)c2ncccc2C)cc1 ZINC000558490251 943573911 /nfs/dbraw/zinc/57/39/11/943573911.db2.gz XQWMETSGRACYBW-UHFFFAOYSA-N 0 0 406.530 4.304 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1cc2c(cc1Br)OCCO2 ZINC000558503227 943578066 /nfs/dbraw/zinc/57/80/66/943578066.db2.gz DLUULSQZUOXHLG-JTQLQIEISA-N 0 0 420.238 4.114 20 30 HIEDRN COc1cc(C#N)ccc1OCc1nc(Cc2ccc(Br)c(C)c2)no1 ZINC000558519437 943586072 /nfs/dbraw/zinc/58/60/72/943586072.db2.gz TUGIZQZTAPFDPU-UHFFFAOYSA-N 0 0 414.259 4.191 20 30 HIEDRN CC1(C)CN(C(=O)Cc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000558533187 943590793 /nfs/dbraw/zinc/59/07/93/943590793.db2.gz KYWSPFVUIJKUTJ-IBGZPJMESA-N 0 0 402.416 4.498 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](Cc3ccccc3)C(F)(F)F)C2)c(F)c1 ZINC000558556383 943596326 /nfs/dbraw/zinc/59/63/26/943596326.db2.gz IAMUSMXOGYCUBP-ZWKOTPCHSA-N 0 0 419.422 4.061 20 30 HIEDRN COc1cc(CNC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)ccc1C#N ZINC000558555863 943596336 /nfs/dbraw/zinc/59/63/36/943596336.db2.gz CGNSLTPLILILEV-UHFFFAOYSA-N 0 0 423.476 4.053 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000558556507 943596529 /nfs/dbraw/zinc/59/65/29/943596529.db2.gz MROCUQHOHSECMC-AZUAARDMSA-N 0 0 404.432 4.499 20 30 HIEDRN Cc1cc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000558556810 943597041 /nfs/dbraw/zinc/59/70/41/943597041.db2.gz WPBVRABVFPKHMM-SFHVURJKSA-N 0 0 412.415 4.203 20 30 HIEDRN COc1ccc(C(=O)CC(C)(C)CC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558597963 943613273 /nfs/dbraw/zinc/61/32/73/943613273.db2.gz SRZDMCNDVINKCB-UHFFFAOYSA-N 0 0 419.525 4.163 20 30 HIEDRN CCCCc1ccc(C(=O)CCC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558598365 943613311 /nfs/dbraw/zinc/61/33/11/943613311.db2.gz YTHUANJQIUBOLV-UHFFFAOYSA-N 0 0 403.526 4.471 20 30 HIEDRN COc1ccc(-c2ccc(CN3CCC(C#N)(c4ccccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000558621518 943619377 /nfs/dbraw/zinc/61/93/77/943619377.db2.gz XOVKHYUGLDXDIX-UHFFFAOYSA-N 0 0 418.453 4.316 20 30 HIEDRN CCc1oc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1C(=O)OC ZINC000558753412 943644052 /nfs/dbraw/zinc/64/40/52/943644052.db2.gz JYPOMLALBOJXRZ-UHFFFAOYSA-N 0 0 417.421 4.005 20 30 HIEDRN Cc1ccc(C(=O)N2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)CC2)s1 ZINC000558785618 943662805 /nfs/dbraw/zinc/66/28/05/943662805.db2.gz URSCMNXQWKNQMU-UHFFFAOYSA-N 0 0 410.930 4.401 20 30 HIEDRN Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nnn1Cc1ccccc1F ZINC000558824046 943680798 /nfs/dbraw/zinc/68/07/98/943680798.db2.gz WWVKMDRKEUWFDV-FPOVZHCZSA-N 0 0 418.476 4.078 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3(c4ccccc4)CCC3)cc2)cc1 ZINC000558840746 943690227 /nfs/dbraw/zinc/69/02/27/943690227.db2.gz OPUGBUQRTXAREH-UHFFFAOYSA-N 0 0 411.461 4.485 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)c1 ZINC000558851435 943699943 /nfs/dbraw/zinc/69/99/43/943699943.db2.gz SMUOZJMYDUIJOQ-ZDUSSCGKSA-N 0 0 407.297 4.417 20 30 HIEDRN COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC000558943677 943764015 /nfs/dbraw/zinc/76/40/15/943764015.db2.gz DGXIHLCJMFLRHT-UHFFFAOYSA-N 0 0 415.541 4.250 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](c2ccsc2)C1 ZINC000558965610 943774099 /nfs/dbraw/zinc/77/40/99/943774099.db2.gz RYDPSOPGDQGDGB-HXUWFJFHSA-N 0 0 410.543 4.093 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC([C@@H](C)NC(C)=O)CC1 ZINC000558980751 943782287 /nfs/dbraw/zinc/78/22/87/943782287.db2.gz KVLZRKMGQYECGY-MRXNPFEDSA-N 0 0 407.518 4.008 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 ZINC000558981037 943783832 /nfs/dbraw/zinc/78/38/32/943783832.db2.gz SHNJUWPAODAOFS-CQSZACIVSA-N 0 0 416.526 4.494 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CCC1CCOCC1 ZINC000558981010 943784290 /nfs/dbraw/zinc/78/42/90/943784290.db2.gz RGAPNNOKUJQASF-KRWDZBQOSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2)nnc1N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000558982716 943784857 /nfs/dbraw/zinc/78/48/57/943784857.db2.gz CFRPCAQUUONNOX-QGZVFWFLSA-N 0 0 410.522 4.274 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC000558982945 943785013 /nfs/dbraw/zinc/78/50/13/943785013.db2.gz KAMIZMHBVANGTM-SJORKVTESA-N 0 0 402.564 4.159 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC000558982943 943785611 /nfs/dbraw/zinc/78/56/11/943785611.db2.gz KAMIZMHBVANGTM-IAGOWNOFSA-N 0 0 402.564 4.159 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H]1CCCO1 ZINC000558983441 943785846 /nfs/dbraw/zinc/78/58/46/943785846.db2.gz VSFPRTLTMZBECS-CQSZACIVSA-N 0 0 409.303 4.038 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000558993496 943793112 /nfs/dbraw/zinc/79/31/12/943793112.db2.gz CUNHHZRQOGJRBR-GOSISDBHSA-N 0 0 421.570 4.380 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC000558993509 943793519 /nfs/dbraw/zinc/79/35/19/943793519.db2.gz CVWIRANCBPOENC-VQIMIIECSA-N 0 0 402.514 4.385 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000558995052 943793977 /nfs/dbraw/zinc/79/39/77/943793977.db2.gz NUGPKQVVQAKSDI-RBUKOAKNSA-N 0 0 405.502 4.039 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(OCCc2ccccc2)CC1 ZINC000558995222 943794075 /nfs/dbraw/zinc/79/40/75/943794075.db2.gz SIDBBZUDVIDSGP-UHFFFAOYSA-N 0 0 420.557 4.461 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC000558995057 943794486 /nfs/dbraw/zinc/79/44/86/943794486.db2.gz NVRUGGRTCRQOFV-SFHVURJKSA-N 0 0 401.580 4.320 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000558998428 943796418 /nfs/dbraw/zinc/79/64/18/943796418.db2.gz RDNLGBGSKHMCQV-JXFKEZNVSA-N 0 0 405.527 4.421 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000558999018 943796425 /nfs/dbraw/zinc/79/64/25/943796425.db2.gz JHPMRIGIPSXXJX-NRFANRHFSA-N 0 0 404.562 4.327 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000558998847 943796497 /nfs/dbraw/zinc/79/64/97/943796497.db2.gz CETSMWLCROXIJR-GOSISDBHSA-N 0 0 411.506 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943803084 /nfs/dbraw/zinc/80/30/84/943803084.db2.gz JMWPPQROCISFGC-UHFFFAOYSA-N 0 0 404.337 4.377 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2ncccc2Cl)CC1 ZINC000559030998 943809809 /nfs/dbraw/zinc/80/98/09/943809809.db2.gz NUJLNZVPNFOXBR-HNAYVOBHSA-N 0 0 401.942 4.384 20 30 HIEDRN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)c2)C1 ZINC000559029370 943809847 /nfs/dbraw/zinc/80/98/47/943809847.db2.gz JMIYWJMVYIVMNV-FDDCHVKYSA-N 0 0 422.500 4.027 20 30 HIEDRN C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 ZINC000559101512 943839751 /nfs/dbraw/zinc/83/97/51/943839751.db2.gz AVOXWAFRRXWTPE-WOJBJXKFSA-N 0 0 407.495 4.399 20 30 HIEDRN Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCO2)c1 ZINC000559109735 943843019 /nfs/dbraw/zinc/84/30/19/943843019.db2.gz LYVBOQACXWWUTP-RTBURBONSA-N 0 0 411.550 4.064 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@]4(CC=CCC4)C3)n2C[C@@H]2CCCO2)c1 ZINC000559131985 943850519 /nfs/dbraw/zinc/85/05/19/943850519.db2.gz IBSWWKVOJQFLRV-XUZZJYLKSA-N 0 0 403.530 4.322 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCSC4(CCCCC4)C3)n2C[C@@H]2CCCO2)cc1 ZINC000559142000 943853065 /nfs/dbraw/zinc/85/30/65/943853065.db2.gz PQNDLUNOGVHQQV-FQEVSTJZSA-N 0 0 423.586 4.252 20 30 HIEDRN N#CC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cccs2)CC1 ZINC000559169769 943859936 /nfs/dbraw/zinc/85/99/36/943859936.db2.gz SDATYAZCTZTGSV-UHFFFAOYSA-N 0 0 415.469 4.396 20 30 HIEDRN CC(C)[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1nc(-c2cccnc2)no1 ZINC000559170658 943860481 /nfs/dbraw/zinc/86/04/81/943860481.db2.gz ZLZFAGFSGYVXJO-QGZVFWFLSA-N 0 0 407.478 4.079 20 30 HIEDRN CN(Cc1ccc(F)cc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000559204963 943871935 /nfs/dbraw/zinc/87/19/35/943871935.db2.gz HQYQESZSRAYEPU-OAQYLSRUSA-N 0 0 405.477 4.161 20 30 HIEDRN CCCCc1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000559211603 943873815 /nfs/dbraw/zinc/87/38/15/943873815.db2.gz DSEFQJQLCSEIJF-QFIPXVFZSA-N 0 0 423.561 4.109 20 30 HIEDRN 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CCCN(CC(=O)Nc1ccc(C#N)cc1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000216615782 853857087 /nfs/dbraw/zinc/85/70/87/853857087.db2.gz CEFTZGKYPWMZMU-UHFFFAOYSA-N 0 0 409.877 4.112 20 30 HIEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000216808465 853858680 /nfs/dbraw/zinc/85/86/80/853858680.db2.gz ZPFMLXXKGTWLQX-UHFFFAOYSA-N 0 0 415.858 4.119 20 30 HIEDRN COc1ccccc1[C@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000216809021 853858749 /nfs/dbraw/zinc/85/87/49/853858749.db2.gz AYLSUAAHFQNNLF-NRFANRHFSA-N 0 0 409.555 4.002 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000217005327 853859482 /nfs/dbraw/zinc/85/94/82/853859482.db2.gz VCFUGHLDMJTIGF-OXQOHEQNSA-N 0 0 413.518 4.089 20 30 HIEDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000217102862 853860479 /nfs/dbraw/zinc/86/04/79/853860479.db2.gz YXEXMZUWTCBJRJ-CYBMUJFWSA-N 0 0 419.312 4.153 20 30 HIEDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N ZINC000217234183 853861458 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HIEDRN CCc1ccc([C@H](NCc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000236981744 853946636 /nfs/dbraw/zinc/94/66/36/853946636.db2.gz ZONGANPNTFRKFP-DEOSSOPVSA-N 0 0 404.535 4.403 20 30 HIEDRN C=CCOc1ccc(CNCc2cc(OC)c(OC)cc2Br)cc1OC ZINC000237190282 853978759 /nfs/dbraw/zinc/97/87/59/853978759.db2.gz LLEWJGKCKBBDAN-UHFFFAOYSA-N 0 0 422.319 4.330 20 30 HIEDRN C=CCc1cc(CNCc2cc(OC)c(OC)cc2Br)cc(OC)c1O ZINC000237300993 854001688 /nfs/dbraw/zinc/00/16/88/854001688.db2.gz DZSAIVRZZWYYID-UHFFFAOYSA-N 0 0 422.319 4.199 20 30 HIEDRN Cc1ccc([C@H](NCc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000237643561 854066843 /nfs/dbraw/zinc/06/68/43/854066843.db2.gz BBGFQKKOTWRISJ-XMMPIXPASA-N 0 0 404.535 4.458 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)C2)n1 ZINC000437281137 862531631 /nfs/dbraw/zinc/53/16/31/862531631.db2.gz QERYMYCXLONNKO-KMDXXIMOSA-N 0 0 410.521 4.304 20 30 HIEDRN N#CCCCOc1cccc(CNc2cc(-c3ccc(Cl)cc3)nn2CCO)c1 ZINC000238202060 854152794 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HIEDRN Cc1cc(NC(=O)CON=Cc2ccccc2OC(F)F)ccc1Br ZINC000255829158 854218040 /nfs/dbraw/zinc/21/80/40/854218040.db2.gz SMRDDXKWQOKPEM-UHFFFAOYSA-N 0 0 413.218 4.348 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000255926419 854218099 /nfs/dbraw/zinc/21/80/99/854218099.db2.gz GDFYKUGKVZFBSF-UHFFFAOYSA-N 0 0 420.885 4.071 20 30 HIEDRN CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nnc1[C@@H](CC)N(C)C ZINC000255928302 854218686 /nfs/dbraw/zinc/21/86/86/854218686.db2.gz OFBAJPLEZYUYOE-CRAIPNDOSA-N 0 0 414.579 4.082 20 30 HIEDRN C=CCn1c(SCC(=O)N(C)Cc2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000255935275 854222049 /nfs/dbraw/zinc/22/20/49/854222049.db2.gz WRZOXHMALZMETM-UHFFFAOYSA-N 0 0 410.518 4.329 20 30 HIEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000255955326 854229750 /nfs/dbraw/zinc/22/97/50/854229750.db2.gz GKMKUPWKDYWQNF-PCCBWWKXSA-N 0 0 413.443 4.218 20 30 HIEDRN CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000261404206 854249890 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N#Cc1ccc(C(F)(F)F)nc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000301278003 854347063 /nfs/dbraw/zinc/34/70/63/854347063.db2.gz JHYHDDNGSUGITE-AWEZNQCLSA-N 0 0 412.209 4.312 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000301335186 854362740 /nfs/dbraw/zinc/36/27/40/854362740.db2.gz CSLBCJNQEYKUNN-LJQANCHMSA-N 0 0 420.900 4.281 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000301358032 854370031 /nfs/dbraw/zinc/37/00/31/854370031.db2.gz PJHCFQWADVOPGR-UHFFFAOYSA-N 0 0 408.864 4.251 20 30 HIEDRN N#Cc1cc(NCc2ccc(NC(=O)c3ccco3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000301362679 854371612 /nfs/dbraw/zinc/37/16/12/854371612.db2.gz QWEKGMBFRVJIDK-UHFFFAOYSA-N 0 0 413.393 4.472 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000301364121 854371958 /nfs/dbraw/zinc/37/19/58/854371958.db2.gz RJIDGEJPYWXJHG-UHFFFAOYSA-N 0 0 411.292 4.376 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)C2)nc1 ZINC000301372895 854374405 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HIEDRN CN(c1ccc(Oc2ccc(Cl)c(C#N)n2)cc1)S(=O)(=O)c1cccs1 ZINC000301536655 854415275 /nfs/dbraw/zinc/41/52/75/854415275.db2.gz MVFAWGHHZXCIJQ-UHFFFAOYSA-N 0 0 405.888 4.286 20 30 HIEDRN O=C1CCCN1C[C@H](Nc1c(F)c(F)nc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000301611702 854429923 /nfs/dbraw/zinc/42/99/23/854429923.db2.gz RRHBIXGVCOKOMS-NSHDSACASA-N 0 0 421.316 4.432 20 30 HIEDRN N#Cc1ccnc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000301630471 854434172 /nfs/dbraw/zinc/43/41/72/854434172.db2.gz CJGOASQGMLYCSU-UHFFFAOYSA-N 0 0 407.257 4.354 20 30 HIEDRN N#Cc1ccnc(N2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)c1[N+](=O)[O-] ZINC000301660790 854439312 /nfs/dbraw/zinc/43/93/12/854439312.db2.gz UHRDEESOTKWUKD-UHFFFAOYSA-N 0 0 423.473 4.051 20 30 HIEDRN C=CCn1c(Sc2ncc(Br)cn2)nnc1-c1cccc(Cl)c1 ZINC000301659731 854439363 /nfs/dbraw/zinc/43/93/63/854439363.db2.gz CENGMLZXEGVMMM-UHFFFAOYSA-N 0 0 408.712 4.488 20 30 HIEDRN C=CCNC(=O)c1ccc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1 ZINC000301665438 854440173 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C=CCCCN(C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000303771373 855187965 /nfs/dbraw/zinc/18/79/65/855187965.db2.gz JIRYMYOTMUUUPX-UHFFFAOYSA-N 0 0 404.470 4.415 20 30 HIEDRN Cc1ccoc1C(=O)NCCCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000303814215 855216909 /nfs/dbraw/zinc/21/69/09/855216909.db2.gz ZPSYYIQMFGQEHV-UHFFFAOYSA-N 0 0 419.506 4.161 20 30 HIEDRN Cc1ccc(C#N)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br ZINC000319599396 855385958 /nfs/dbraw/zinc/38/59/58/855385958.db2.gz YYRYZJGBKHFSRH-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000324929498 855401642 /nfs/dbraw/zinc/40/16/42/855401642.db2.gz UXKNRVIMKBMOIK-UHFFFAOYSA-N 0 0 419.222 4.449 20 30 HIEDRN C=CCN(C(=O)c1cnn(C)c1Br)c1nc(-c2ccccc2)cs1 ZINC000379169005 855423609 /nfs/dbraw/zinc/42/36/09/855423609.db2.gz NNCCFVRTUSPYFV-UHFFFAOYSA-N 0 0 403.305 4.139 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1cc(Br)ccc1I ZINC000393788243 855468968 /nfs/dbraw/zinc/46/89/68/855468968.db2.gz SNIMOBSYIPYFDP-JTQLQIEISA-N 0 0 408.077 4.138 20 30 HIEDRN Cc1ccc([C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C2CC2)cc1 ZINC000409453130 855485639 /nfs/dbraw/zinc/48/56/39/855485639.db2.gz NYPZEPGOHHIFTR-QHCPKHFHSA-N 0 0 416.525 4.378 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)c1 ZINC000409455455 855487276 /nfs/dbraw/zinc/48/72/76/855487276.db2.gz HMGUIIDXNAEUGN-UHFFFAOYSA-N 0 0 419.444 4.447 20 30 HIEDRN C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)n1cnc(C#N)n1 ZINC000409477002 855500526 /nfs/dbraw/zinc/50/05/26/855500526.db2.gz VAQZIQSJJVPQKH-ZDUSSCGKSA-N 0 0 412.478 4.044 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N(CC)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000409505256 855513355 /nfs/dbraw/zinc/51/33/55/855513355.db2.gz XJSKKPBICFHYDK-GOSISDBHSA-N 0 0 415.559 4.225 20 30 HIEDRN Cc1nc2cc(C(=O)N(CCC#N)Cc3ccccn3)ccc2n1Cc1ccsc1 ZINC000409532341 855527362 /nfs/dbraw/zinc/52/73/62/855527362.db2.gz ZSHOXOIXXOBSQD-UHFFFAOYSA-N 0 0 415.522 4.406 20 30 HIEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC000409562080 855541531 /nfs/dbraw/zinc/54/15/31/855541531.db2.gz OWWORNQQQOZHGS-XXBNENTESA-N 0 0 411.571 4.211 20 30 HIEDRN COc1ccc(Sc2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2Cl)cc1 ZINC000409577744 855549527 /nfs/dbraw/zinc/54/95/27/855549527.db2.gz SDCDRZIQWVYCRZ-LBPRGKRZSA-N 0 0 413.890 4.163 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409589383 855555326 /nfs/dbraw/zinc/55/53/26/855555326.db2.gz PUENWDODVYUIGR-UHFFFAOYSA-N 0 0 407.417 4.048 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000409592863 855556451 /nfs/dbraw/zinc/55/64/51/855556451.db2.gz TZUXNEVKNYFQHH-UHFFFAOYSA-N 0 0 401.304 4.099 20 30 HIEDRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409627040 855571672 /nfs/dbraw/zinc/57/16/72/855571672.db2.gz XZLFENIEPZHHSA-UHFFFAOYSA-N 0 0 411.465 4.104 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cc(-c4ccoc4)nn3-c3ccccc3)n2)c1 ZINC000409642085 855578683 /nfs/dbraw/zinc/57/86/83/855578683.db2.gz ZGDCDSXSDPPCOW-UHFFFAOYSA-N 0 0 420.432 4.442 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000409659411 855588674 /nfs/dbraw/zinc/58/86/74/855588674.db2.gz ZLOMQKKPMUEGHV-HNNXBMFYSA-N 0 0 422.510 4.122 20 30 HIEDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000409693780 855604992 /nfs/dbraw/zinc/60/49/92/855604992.db2.gz HPQNZHZOAKBELJ-LJAQVGFWSA-N 0 0 406.511 4.043 20 30 HIEDRN COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409695084 855605795 /nfs/dbraw/zinc/60/57/95/855605795.db2.gz PHLSBXJWRMOOMK-UHFFFAOYSA-N 0 0 416.525 4.484 20 30 HIEDRN CCN1CCc2nc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)sc2C1 ZINC000409705434 855612417 /nfs/dbraw/zinc/61/24/17/855612417.db2.gz BCNISUIGGYQLDP-UHFFFAOYSA-N 0 0 404.495 4.437 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1Sc1ccc(C(F)(F)F)c(C#N)n1 ZINC000409711578 855615238 /nfs/dbraw/zinc/61/52/38/855615238.db2.gz LLMRTIUGPGOAHJ-UHFFFAOYSA-N 0 0 417.416 4.480 20 30 HIEDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409724012 855621208 /nfs/dbraw/zinc/62/12/08/855621208.db2.gz NHHVWYBKGCCTFV-YWZLYKJASA-N 0 0 421.566 4.437 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)n2)c1 ZINC000409725889 855621869 /nfs/dbraw/zinc/62/18/69/855621869.db2.gz FFYXPSQAXRONKS-KRWDZBQOSA-N 0 0 404.779 4.431 20 30 HIEDRN COc1ccc(Nc2ccc(C(F)(F)F)c(C#N)n2)cc1Oc1ccc(C)nn1 ZINC000409728232 855622991 /nfs/dbraw/zinc/62/29/91/855622991.db2.gz NXOOXNFQCJVKTE-UHFFFAOYSA-N 0 0 401.348 4.615 20 30 HIEDRN Cc1ccc(F)c(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000437387123 862707123 /nfs/dbraw/zinc/70/71/23/862707123.db2.gz QOEZZVXDBFALFK-UHFFFAOYSA-N 0 0 419.431 4.312 20 30 HIEDRN C=CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1nc(C(=O)OCC)cs1 ZINC000409824897 855674592 /nfs/dbraw/zinc/67/45/92/855674592.db2.gz VMJMMQLQONSBJH-UHFFFAOYSA-N 0 0 404.536 4.228 20 30 HIEDRN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1sc(CC)cc1C#N ZINC000409845533 855684482 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CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000409904604 855716243 /nfs/dbraw/zinc/71/62/43/855716243.db2.gz LOWMSCHAUQUHND-OAHLLOKOSA-N 0 0 419.934 4.030 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000409910492 855719253 /nfs/dbraw/zinc/71/92/53/855719253.db2.gz LYHXCVPZZVUUMK-IRXDYDNUSA-N 0 0 418.299 4.456 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000437389687 862713406 /nfs/dbraw/zinc/71/34/06/862713406.db2.gz LPWBIZMSDHYZDG-JTQLQIEISA-N 0 0 423.407 4.009 20 30 HIEDRN CCc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c2c(CC(C)(C)C)noc2n1 ZINC000409963972 855748536 /nfs/dbraw/zinc/74/85/36/855748536.db2.gz ZPXZFZKBQAUFHH-YADARESESA-N 0 0 424.545 4.441 20 30 HIEDRN C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000409985861 855763294 /nfs/dbraw/zinc/76/32/94/855763294.db2.gz ZUAGJKPKJQYGOF-NEPJUHHUSA-N 0 0 419.432 4.335 20 30 HIEDRN CCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1cccc(Cl)c1 ZINC000409988702 855764801 /nfs/dbraw/zinc/76/48/01/855764801.db2.gz QTGIICVDDNHYNF-UHFFFAOYSA-N 0 0 416.872 4.398 20 30 HIEDRN Cc1nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1I ZINC000410007240 855776143 /nfs/dbraw/zinc/77/61/43/855776143.db2.gz PVALFEXXLXQAPR-UHFFFAOYSA-N 0 0 405.239 4.048 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)n2)c1 ZINC000410025407 855785630 /nfs/dbraw/zinc/78/56/30/855785630.db2.gz JYVRNMMHJTUKPL-SAABIXHNSA-N 0 0 410.399 4.439 20 30 HIEDRN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000410047699 855798798 /nfs/dbraw/zinc/79/87/98/855798798.db2.gz RJKILWWGVQDYMG-UHFFFAOYSA-N 0 0 405.285 4.035 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)N[C@H](CO)c3cccc(Cl)c3F)c2)c1 ZINC000410098420 855818899 /nfs/dbraw/zinc/81/88/99/855818899.db2.gz JAKPPMYTSHHQSW-OAQYLSRUSA-N 0 0 424.859 4.393 20 30 HIEDRN C[C@H](NC(=O)NCc1ncnn1C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000410104003 855822179 /nfs/dbraw/zinc/82/21/79/855822179.db2.gz PQGRCBUGAFQOKX-INIZCTEOSA-N 0 0 402.502 4.132 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1=O ZINC000410121029 855829277 /nfs/dbraw/zinc/82/92/77/855829277.db2.gz RQKLAJNQNCLTGR-GOSISDBHSA-N 0 0 402.853 4.130 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1=O ZINC000410139441 855836246 /nfs/dbraw/zinc/83/62/46/855836246.db2.gz CSAWXVPDPPEHNC-HXUWFJFHSA-N 0 0 419.456 4.007 20 30 HIEDRN COc1ccc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)cc1 ZINC000410142682 855836928 /nfs/dbraw/zinc/83/69/28/855836928.db2.gz MPTNJHVDORKBOV-UHFFFAOYSA-N 0 0 424.444 4.154 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N(Cc1c(OC)ccc2ccccc21)C1CCCC1 ZINC000410151610 855840368 /nfs/dbraw/zinc/84/03/68/855840368.db2.gz RWGRJSZOELDMCU-UHFFFAOYSA-N 0 0 415.559 4.073 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)ccc1C(F)(F)F ZINC000410158501 855843375 /nfs/dbraw/zinc/84/33/75/855843375.db2.gz HQBJYOXLHXJNSJ-INIZCTEOSA-N 0 0 400.809 4.366 20 30 HIEDRN Cc1ccc(-c2ccnn2C)cc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000410202442 855861021 /nfs/dbraw/zinc/86/10/21/855861021.db2.gz DRVJURISJBTSCT-UHFFFAOYSA-N 0 0 401.470 4.015 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000410274430 855895072 /nfs/dbraw/zinc/89/50/72/855895072.db2.gz YTFAEMMRKLMPGT-INIZCTEOSA-N 0 0 403.301 4.318 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc2c1ccn(C)c2=O ZINC000410352284 855944987 /nfs/dbraw/zinc/94/49/87/855944987.db2.gz ZSZOIZYWFNETRR-UHFFFAOYSA-N 0 0 402.372 4.374 20 30 HIEDRN C=CCCc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000410354382 855946011 /nfs/dbraw/zinc/94/60/11/855946011.db2.gz PQFMICGCOIKESW-UHFFFAOYSA-N 0 0 416.543 4.143 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCCC2)cc1C(F)(F)F ZINC000410356522 855946419 /nfs/dbraw/zinc/94/64/19/855946419.db2.gz XCUZLMRLTMQLKO-UHFFFAOYSA-N 0 0 400.344 4.073 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)c1cc2ccccc2s1 ZINC000410383254 855964150 /nfs/dbraw/zinc/96/41/50/855964150.db2.gz PKFFSLMHPCAPJD-OAHLLOKOSA-N 0 0 407.495 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ZINC000426070485 856086336 /nfs/dbraw/zinc/08/63/36/856086336.db2.gz CTVCWAQPGCYCBC-QUCCMNQESA-N 0 0 423.423 4.406 20 30 HIEDRN C=CCOc1cccc(NC(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426073304 856088755 /nfs/dbraw/zinc/08/87/55/856088755.db2.gz PEDMVGORLZCQQU-MRXNPFEDSA-N 0 0 408.420 4.243 20 30 HIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000426090394 856101477 /nfs/dbraw/zinc/10/14/77/856101477.db2.gz SCGMCWXYVLUBHK-QGZVFWFLSA-N 0 0 403.866 4.439 20 30 HIEDRN CCc1n[nH]c(=O)c(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1CC ZINC000426108839 856112693 /nfs/dbraw/zinc/11/26/93/856112693.db2.gz JLBXBJPORJCOJR-UHFFFAOYSA-N 0 0 417.469 4.293 20 30 HIEDRN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426141189 856135986 /nfs/dbraw/zinc/13/59/86/856135986.db2.gz ROTFFSUECYGALX-ZDUSSCGKSA-N 0 0 404.848 4.401 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000426157940 856145144 /nfs/dbraw/zinc/14/51/44/856145144.db2.gz ZOTXECJFDUTIGS-UHFFFAOYSA-N 0 0 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C=CC[C@@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccccc1 ZINC000427121108 856650360 /nfs/dbraw/zinc/65/03/60/856650360.db2.gz GSLGXOYLUDMXED-QGZVFWFLSA-N 0 0 411.303 4.210 20 30 HIEDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000427126654 856655582 /nfs/dbraw/zinc/65/55/82/856655582.db2.gz QLMPMNPEYRAIFV-LLVKDONJSA-N 0 0 401.492 4.148 20 30 HIEDRN COC(=O)c1cccc(NC(=O)c2cccc(SCC#N)c2)c1Br ZINC000427175656 856691609 /nfs/dbraw/zinc/69/16/09/856691609.db2.gz DMUYHUASXCGVHH-UHFFFAOYSA-N 0 0 405.273 4.104 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)nn2)cc1F ZINC000437470411 862832096 /nfs/dbraw/zinc/83/20/96/862832096.db2.gz JLHUTTHLAFBWAG-UHFFFAOYSA-N 0 0 403.417 4.132 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCSc3ccc(C(F)(F)F)cc32)cc1F ZINC000427245268 856733104 /nfs/dbraw/zinc/73/31/04/856733104.db2.gz YYCXEHNJTPWCCB-UHFFFAOYSA-N 0 0 402.394 4.017 20 30 HIEDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 ZINC000427245207 856733320 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20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1Cl ZINC000427407451 856808893 /nfs/dbraw/zinc/80/88/93/856808893.db2.gz LRYIVBZOJKPYFT-SCWSEQNSSA-N 0 0 407.901 4.335 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000437483094 862841048 /nfs/dbraw/zinc/84/10/48/862841048.db2.gz QZTDRJXDDJGCAE-WBMJQRKESA-N 0 0 413.827 4.256 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437483133 862841241 /nfs/dbraw/zinc/84/12/41/862841241.db2.gz LEUWIESHLWLSJL-AKCHCHLHSA-N 0 0 410.436 4.329 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)c1ccccc1 ZINC000427557990 856865161 /nfs/dbraw/zinc/86/51/61/856865161.db2.gz DHAVPOKGQLAYDK-IBGZPJMESA-N 0 0 418.428 4.113 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1F ZINC000437486582 862844467 /nfs/dbraw/zinc/84/44/67/862844467.db2.gz PVSZWRREWJUFOQ-INIZCTEOSA-N 0 0 407.445 4.219 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N(CCO)Cc2cccc(F)c2)cc1 ZINC000427591847 856880276 /nfs/dbraw/zinc/88/02/76/856880276.db2.gz NEPJKSMIDXBDHA-UHFFFAOYSA-N 0 0 406.482 4.483 20 30 HIEDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)n1 ZINC000427600323 856883879 /nfs/dbraw/zinc/88/38/79/856883879.db2.gz FMTHPZKOPLNUQL-UHFFFAOYSA-N 0 0 409.833 4.183 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnccc1-c1ccc(C(F)(F)F)cc1 ZINC000427699522 856914069 /nfs/dbraw/zinc/91/40/69/856914069.db2.gz XRNNKQTXZSTXDT-MRXNPFEDSA-N 0 0 403.404 4.273 20 30 HIEDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(C#N)nc1)C1CC1 ZINC000427759894 856942061 /nfs/dbraw/zinc/94/20/61/856942061.db2.gz BZJBHDJTPCWISF-GOSISDBHSA-N 0 0 418.280 4.169 20 30 HIEDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)C2)cc1 ZINC000427771652 856948572 /nfs/dbraw/zinc/94/85/72/856948572.db2.gz RGJPTDJEOMLLOF-AZUAARDMSA-N 0 0 405.498 4.021 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)CCCCC(=O)c3ccc(F)cc3)n2)c(Cl)c1 ZINC000427895601 856997302 /nfs/dbraw/zinc/99/73/02/856997302.db2.gz NSPFXMGEYRXYOR-UHFFFAOYSA-N 0 0 424.863 4.918 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1Cl ZINC000427902468 857000420 /nfs/dbraw/zinc/00/04/20/857000420.db2.gz ODGLJBYNGUOOIV-PKOBYXMFSA-N 0 0 424.884 4.214 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000437511955 862860748 /nfs/dbraw/zinc/86/07/48/862860748.db2.gz BFWSSFOXQLKESU-UHFFFAOYSA-N 0 0 406.244 4.134 20 30 HIEDRN COc1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1NC(N)=O ZINC000427937213 857014308 /nfs/dbraw/zinc/01/43/08/857014308.db2.gz XGHWUNFXGRQCSR-UHFFFAOYSA-N 0 0 401.426 4.053 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000437518014 862863272 /nfs/dbraw/zinc/86/32/72/862863272.db2.gz RYACDBNNBVIYIX-IFXJQAMLSA-N 0 0 420.303 4.332 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000437520637 862864504 /nfs/dbraw/zinc/86/45/04/862864504.db2.gz RCLZMIHRGPHAKM-KBXCAEBGSA-N 0 0 421.360 4.213 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)N(C(N)=O)CC4)cc2)cc1 ZINC000428021489 857045688 /nfs/dbraw/zinc/04/56/88/857045688.db2.gz IVIUAKNLYSMJRT-UHFFFAOYSA-N 0 0 412.449 4.238 20 30 HIEDRN CCOC(=O)c1cn(CCCC(C)(C)C#N)c2cc(Br)ccc2c1=O ZINC000428033043 857050271 /nfs/dbraw/zinc/05/02/71/857050271.db2.gz AJAAVYUXKISMLS-UHFFFAOYSA-N 0 0 405.292 4.271 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000428039283 857050927 /nfs/dbraw/zinc/05/09/27/857050927.db2.gz DHMARUILKMOQAO-MRXNPFEDSA-N 0 0 422.909 4.461 20 30 HIEDRN N#Cc1ccnc(N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)c3)CC2)c1 ZINC000428108997 857074231 /nfs/dbraw/zinc/07/42/31/857074231.db2.gz VLYCEIDZOOODRP-UHFFFAOYSA-N 0 0 408.914 4.298 20 30 HIEDRN CCS[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000428164268 857093248 /nfs/dbraw/zinc/09/32/48/857093248.db2.gz KZCNGAUWSKEVLD-CTNGQTDRSA-N 0 0 423.538 4.470 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000428179575 857099618 /nfs/dbraw/zinc/09/96/18/857099618.db2.gz XHJFZWKRAAKFNZ-YQQAZPJKSA-N 0 0 405.589 4.200 20 30 HIEDRN C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Oc1ccccc1F ZINC000437535175 862871002 /nfs/dbraw/zinc/87/10/02/862871002.db2.gz KTDIIVXNMVRRDB-AWEZNQCLSA-N 0 0 410.474 4.334 20 30 HIEDRN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428187807 857104687 /nfs/dbraw/zinc/10/46/87/857104687.db2.gz UIUUCVNVVWNACE-UHFFFAOYSA-N 0 0 421.888 4.071 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000428195571 857106899 /nfs/dbraw/zinc/10/68/99/857106899.db2.gz IARCFRKUNPUULP-UHFFFAOYSA-N 0 0 410.433 4.158 20 30 HIEDRN N#CCCn1ncc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1-c1ccccc1 ZINC000428214334 857113642 /nfs/dbraw/zinc/11/36/42/857113642.db2.gz CQJLPLAMFZZNDR-NRFANRHFSA-N 0 0 416.481 4.274 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCSCc2ccccc2F)c1-c1ccccc1 ZINC000428221162 857116299 /nfs/dbraw/zinc/11/62/99/857116299.db2.gz SPGMCFZIDFCPGQ-UHFFFAOYSA-N 0 0 408.502 4.266 20 30 HIEDRN CCOc1ccc([C@@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1OC ZINC000428220340 857116354 /nfs/dbraw/zinc/11/63/54/857116354.db2.gz QZDOEJHBFUZXHK-QGZVFWFLSA-N 0 0 418.497 4.362 20 30 HIEDRN C=CCN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC000428290090 857143645 /nfs/dbraw/zinc/14/36/45/857143645.db2.gz WFFVGOQRCXQRFW-DEOSSOPVSA-N 0 0 411.505 4.307 20 30 HIEDRN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC3(C2)CCCC3)c1 ZINC000428318154 857149657 /nfs/dbraw/zinc/14/96/57/857149657.db2.gz FQIURKYNBOLLSL-UHFFFAOYSA-N 0 0 405.523 4.305 20 30 HIEDRN C=CCN(C(=O)c1ncc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000428339657 857160789 /nfs/dbraw/zinc/16/07/89/857160789.db2.gz YLDMYWFCFSOESS-UHFFFAOYSA-N 0 0 402.382 4.224 20 30 HIEDRN O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000437550034 862880900 /nfs/dbraw/zinc/88/09/00/862880900.db2.gz WZJCFKBZQGCZSK-UHFFFAOYSA-N 0 0 424.272 4.363 20 30 HIEDRN CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2cccnc2C#N)nc1-c1ccccc1 ZINC000428377301 857182704 /nfs/dbraw/zinc/18/27/04/857182704.db2.gz SCWGUTYKUDISKH-SFHVURJKSA-N 0 0 422.510 4.257 20 30 HIEDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000428495605 857226325 /nfs/dbraw/zinc/22/63/25/857226325.db2.gz DBEYEKRWOMYZJL-SFHVURJKSA-N 0 0 408.445 4.236 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1-c1ccccc1 ZINC000428524317 857239292 /nfs/dbraw/zinc/23/92/92/857239292.db2.gz URCAOTDZRKNUDJ-SFHVURJKSA-N 0 0 420.900 4.411 20 30 HIEDRN CC[C@@H](C)[C@@H](NC(=O)c1cc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000437568066 862890270 /nfs/dbraw/zinc/89/02/70/862890270.db2.gz MPBCICNCHLMSPN-FOIQADDNSA-N 0 0 410.543 4.003 20 30 HIEDRN C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Oc1cccc(Cl)c1 ZINC000428646476 857287740 /nfs/dbraw/zinc/28/77/40/857287740.db2.gz GIPGWBOJZAYVGJ-INIZCTEOSA-N 0 0 408.889 4.314 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCC(O)(C(F)F)CC2)cc1Cl ZINC000428653057 857289981 /nfs/dbraw/zinc/28/99/81/857289981.db2.gz WNOJICXXGNZYSN-UHFFFAOYSA-N 0 0 406.816 4.236 20 30 HIEDRN COCCN(C(=O)c1cc(Br)c(Cl)cc1OC)c1ccc(C#N)cc1 ZINC000428655701 857290698 /nfs/dbraw/zinc/29/06/98/857290698.db2.gz NFEQCPJQYCMVEP-UHFFFAOYSA-N 0 0 423.694 4.276 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCC(O)(C(F)F)CC2)c1 ZINC000428663726 857292547 /nfs/dbraw/zinc/29/25/47/857292547.db2.gz KGNYTLJAJVHWCZ-UHFFFAOYSA-N 0 0 406.816 4.236 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000437576797 862895114 /nfs/dbraw/zinc/89/51/14/862895114.db2.gz GTCBMCLGWGUPSB-FPOVZHCZSA-N 0 0 424.932 4.480 20 30 HIEDRN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428714785 857307299 /nfs/dbraw/zinc/30/72/99/857307299.db2.gz WBVHJXMHPBIWHC-XMSQKQJNSA-N 0 0 400.482 4.066 20 30 HIEDRN C[C@]12CCN(CC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)C[C@H]1C2(F)F ZINC000428742098 857315397 /nfs/dbraw/zinc/31/53/97/857315397.db2.gz CAOCEMJKKVTXRX-OFNKIYASSA-N 0 0 424.495 4.143 20 30 HIEDRN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428747565 857316447 /nfs/dbraw/zinc/31/64/47/857316447.db2.gz XBIDMEBEXOYCDQ-GHTZIAJQSA-N 0 0 416.447 4.021 20 30 HIEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000428752472 857319847 /nfs/dbraw/zinc/31/98/47/857319847.db2.gz YUUXDHGOCOXQHZ-UHFFFAOYSA-N 0 0 422.529 4.349 20 30 HIEDRN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccccc1C#N ZINC000428783272 857336741 /nfs/dbraw/zinc/33/67/41/857336741.db2.gz MWTPTOJIYQEQBC-FOIQADDNSA-N 0 0 417.431 4.368 20 30 HIEDRN COC(=O)C12CCC(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)(CC1)C2 ZINC000428796879 857345902 /nfs/dbraw/zinc/34/59/02/857345902.db2.gz AABPOEFHCLNIMF-BURHJUHKSA-N 0 0 418.493 4.070 20 30 HIEDRN Cc1oc(NC(=O)CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c(C#N)c1C ZINC000428818737 857359034 /nfs/dbraw/zinc/35/90/34/857359034.db2.gz PWWYATHDUCJDOY-XIKOKIGWSA-N 0 0 421.419 4.187 20 30 HIEDRN N#CCCN(CC1CC1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000428880875 857385920 /nfs/dbraw/zinc/38/59/20/857385920.db2.gz JFEBGVWFBDFINA-UHFFFAOYSA-N 0 0 416.323 4.046 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCc2ccccc2C(F)(F)F)c1-c1ccccc1 ZINC000428908987 857407635 /nfs/dbraw/zinc/40/76/35/857407635.db2.gz XXGFIGIGFUMPQV-UHFFFAOYSA-N 0 0 412.415 4.455 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428917221 857412942 /nfs/dbraw/zinc/41/29/42/857412942.db2.gz PEVQJIFFGYWZNT-UHFFFAOYSA-N 0 0 415.453 4.200 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCc2ccccc2Br)c1-c1ccccc1 ZINC000428922834 857417477 /nfs/dbraw/zinc/41/74/77/857417477.db2.gz QSNFRCPHBHKPEO-UHFFFAOYSA-N 0 0 423.314 4.199 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428946724 857430258 /nfs/dbraw/zinc/43/02/58/857430258.db2.gz OZWXFVDQYNEITH-CJNGLKHVSA-N 0 0 415.481 4.061 20 30 HIEDRN Cc1ccc(C)c(CN(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000429056567 857482011 /nfs/dbraw/zinc/48/20/11/857482011.db2.gz XXMJVTQNBXECOK-UHFFFAOYSA-N 0 0 418.497 4.298 20 30 HIEDRN C=CCC[C@H](NC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1 ZINC000429085435 857502347 /nfs/dbraw/zinc/50/23/47/857502347.db2.gz YRPVAAUXVYCZMN-FCHUYYIVSA-N 0 0 407.514 4.311 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429088430 857503214 /nfs/dbraw/zinc/50/32/14/857503214.db2.gz ADYZDULLQOESHF-INIZCTEOSA-N 0 0 404.518 4.215 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1-c1ccccc1 ZINC000429092128 857505244 /nfs/dbraw/zinc/50/52/44/857505244.db2.gz IOGHWRAODPBSFI-LJQANCHMSA-N 0 0 419.916 4.126 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429172545 857540321 /nfs/dbraw/zinc/54/03/21/857540321.db2.gz RIIWBNHQOLXSQO-ZCYQVOJMSA-N 0 0 423.532 4.391 20 30 HIEDRN CCc1c(C)sc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c1C#N ZINC000429203450 857551652 /nfs/dbraw/zinc/55/16/52/857551652.db2.gz HNKBBYLSOXQEBS-FQEVSTJZSA-N 0 0 422.554 4.294 20 30 HIEDRN CS(=O)(=O)Cc1ccc(CNc2c(Br)cc(Cl)cc2C#N)cc1 ZINC000429217630 857559523 /nfs/dbraw/zinc/55/95/23/857559523.db2.gz XAYQHPPIEOHRQV-UHFFFAOYSA-N 0 0 413.724 4.131 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000429249834 857573946 /nfs/dbraw/zinc/57/39/46/857573946.db2.gz CTORIMBWZYTVLF-UHFFFAOYSA-N 0 0 408.424 4.082 20 30 HIEDRN C[C@@H]1CN(c2cccc(F)c2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000429265671 857581728 /nfs/dbraw/zinc/58/17/28/857581728.db2.gz UDDAHGKRJOLVCA-GOSISDBHSA-N 0 0 404.489 4.087 20 30 HIEDRN COC(=O)[C@@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)c1cccc(C#N)c1 ZINC000429289712 857592713 /nfs/dbraw/zinc/59/27/13/857592713.db2.gz YBEVKKXWFQXZOO-RBUKOAKNSA-N 0 0 413.315 4.448 20 30 HIEDRN COc1ccc(Br)c(CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000429311355 857599027 /nfs/dbraw/zinc/59/90/27/857599027.db2.gz VGJJDCGHYLZJBJ-UHFFFAOYSA-N 0 0 422.348 4.078 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000429382229 857634594 /nfs/dbraw/zinc/63/45/94/857634594.db2.gz FTZBOQKRCQJGDQ-UHFFFAOYSA-N 0 0 400.276 4.228 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)nc21 ZINC000429570847 857756455 /nfs/dbraw/zinc/75/64/55/857756455.db2.gz PWDCNBNODCYTFO-SFHVURJKSA-N 0 0 413.412 4.148 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000429577770 857763340 /nfs/dbraw/zinc/76/33/40/857763340.db2.gz GNUXLAGJKZLPFP-UHFFFAOYSA-N 0 0 424.302 4.229 20 30 HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)nc21 ZINC000429589353 857773022 /nfs/dbraw/zinc/77/30/22/857773022.db2.gz JNMJEDKJLBVTFE-IBGZPJMESA-N 0 0 411.465 4.347 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC(c4ccncc4)CC3)ccc21 ZINC000429606568 857788445 /nfs/dbraw/zinc/78/84/45/857788445.db2.gz BVQZIHJPPCLMPV-UHFFFAOYSA-N 0 0 417.513 4.076 20 30 HIEDRN CCCOc1cc(O)ccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000429606588 857788655 /nfs/dbraw/zinc/78/86/55/857788655.db2.gz CAXQXTZQUXRIGY-UHFFFAOYSA-N 0 0 422.485 4.408 20 30 HIEDRN CCCc1c(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cnn1-c1ccc(F)cc1 ZINC000429609824 857792001 /nfs/dbraw/zinc/79/20/01/857792001.db2.gz JCRRDHMPGGXTMT-UHFFFAOYSA-N 0 0 419.460 4.131 20 30 HIEDRN N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000429674283 857830581 /nfs/dbraw/zinc/83/05/81/857830581.db2.gz KEHVFFUEYWRQGH-CQSZACIVSA-N 0 0 418.453 4.453 20 30 HIEDRN CN(Cc1ccccc1N1CCCC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429724939 857851294 /nfs/dbraw/zinc/85/12/94/857851294.db2.gz NWEKBZUQIASNOG-UHFFFAOYSA-N 0 0 413.525 4.336 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000429735261 857858115 /nfs/dbraw/zinc/85/81/15/857858115.db2.gz LFEUTLDMLVENLH-HXUWFJFHSA-N 0 0 413.477 4.440 20 30 HIEDRN COc1cc(Br)c(CNC(=O)c2cccc(SCC#N)c2)cc1OC ZINC000429792477 857886169 /nfs/dbraw/zinc/88/61/69/857886169.db2.gz ZXJZQZTWVWAQIS-UHFFFAOYSA-N 0 0 421.316 4.012 20 30 HIEDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(SCC#N)c2)c1C ZINC000429837271 857904372 /nfs/dbraw/zinc/90/43/72/857904372.db2.gz CESZXEDXIQWOPI-UHFFFAOYSA-N 0 0 403.529 4.015 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 ZINC000429848177 857909709 /nfs/dbraw/zinc/90/97/09/857909709.db2.gz RCPQSPXJGAUBEX-UHFFFAOYSA-N 0 0 422.550 4.168 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000429850418 857909878 /nfs/dbraw/zinc/90/98/78/857909878.db2.gz USJRJURQIXHSAU-MRXNPFEDSA-N 0 0 403.301 4.318 20 30 HIEDRN N#CCSc1cccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000429858181 857913835 /nfs/dbraw/zinc/91/38/35/857913835.db2.gz HZUJTHPNXLDHRE-UHFFFAOYSA-N 0 0 416.428 4.437 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429874172 857921136 /nfs/dbraw/zinc/92/11/36/857921136.db2.gz UXWNLAPEDZMXGC-UHFFFAOYSA-N 0 0 404.220 4.292 20 30 HIEDRN C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000429889004 857928648 /nfs/dbraw/zinc/92/86/48/857928648.db2.gz LXOLTBHAKAKTPG-CYBMUJFWSA-N 0 0 418.494 4.091 20 30 HIEDRN C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)[C@H](CC)c1ccc(F)cc1 ZINC000429896736 857934334 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CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](C)Cc1ccsc1 ZINC000430378334 858140278 /nfs/dbraw/zinc/14/02/78/858140278.db2.gz QJNILFOWCAFIPU-VQIMIIECSA-N 0 0 414.550 4.390 20 30 HIEDRN CCN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](C)Cc1ccsc1 ZINC000430378332 858140390 /nfs/dbraw/zinc/14/03/90/858140390.db2.gz QJNILFOWCAFIPU-LPHOPBHVSA-N 0 0 414.550 4.390 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430391710 858144048 /nfs/dbraw/zinc/14/40/48/858144048.db2.gz GZMHFZOKVDCNIV-UHFFFAOYSA-N 0 0 418.409 4.288 20 30 HIEDRN O=C(NCc1ccccc1OCC(F)(F)F)NCc1c(F)cc(F)c(F)c1F ZINC000430429713 858157780 /nfs/dbraw/zinc/15/77/80/858157780.db2.gz JSOCOYZYZAYQBO-UHFFFAOYSA-N 0 0 410.289 4.184 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCC(c3ccncc3)CC2)nnc1-c1ccco1 ZINC000430430382 858157939 /nfs/dbraw/zinc/15/79/39/858157939.db2.gz UOUVFBSTHNNEGE-UHFFFAOYSA-N 0 0 423.542 4.008 20 30 HIEDRN CC1=C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000430466801 858179973 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N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccn(C4CCCC4)n3)s2)cc1 ZINC000431406353 858600107 /nfs/dbraw/zinc/60/01/07/858600107.db2.gz YVKYUQIJZWSDQI-UHFFFAOYSA-N 0 0 406.515 4.239 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000431448402 858620763 /nfs/dbraw/zinc/62/07/63/858620763.db2.gz YOTZZOFJFSFGKS-UHFFFAOYSA-N 0 0 419.529 4.038 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)CCC2CCOCC2)c1 ZINC000431533441 858659809 /nfs/dbraw/zinc/65/98/09/858659809.db2.gz RPVYOEMCNFTSSV-UHFFFAOYSA-N 0 0 418.946 4.365 20 30 HIEDRN CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000437716425 863049129 /nfs/dbraw/zinc/04/91/29/863049129.db2.gz IHYVCXUPABCMJC-UHFFFAOYSA-N 0 0 423.460 4.179 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccc(I)cc2Cl)c(Cl)c1 ZINC000431584046 858677384 /nfs/dbraw/zinc/67/73/84/858677384.db2.gz USSXFLHPHUWTPN-UHFFFAOYSA-N 0 0 418.021 4.117 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000431751321 858788034 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HIEDRN Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(-n2cc(Cl)cn2)n1 ZINC000431912634 858867676 /nfs/dbraw/zinc/86/76/76/858867676.db2.gz JPFOSUKXHUWNQL-HXUWFJFHSA-N 0 0 422.920 4.464 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000431924772 858872149 /nfs/dbraw/zinc/87/21/49/858872149.db2.gz LHGXATAVJNHHHS-IFMALSPDSA-N 0 0 419.504 4.401 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2cccc(N3CCCC3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431933225 858876970 /nfs/dbraw/zinc/87/69/70/858876970.db2.gz CCYVAASWAOPKJG-WMZHIEFXSA-N 0 0 403.526 4.409 20 30 HIEDRN CN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H]1CCC(C)(C)C1 ZINC000431936937 858877816 /nfs/dbraw/zinc/87/78/16/858877816.db2.gz KCPBGPPFAMUXDR-HNNXBMFYSA-N 0 0 401.561 4.744 20 30 HIEDRN COc1ccc(-n2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)n2)cc1 ZINC000431935729 858877959 /nfs/dbraw/zinc/87/79/59/858877959.db2.gz HMCDAVXWEHWCFP-JOCHJYFZSA-N 0 0 403.486 4.115 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431969398 858893964 /nfs/dbraw/zinc/89/39/64/858893964.db2.gz DVYVVOOFROGQBQ-OAHLLOKOSA-N 0 0 418.522 4.423 20 30 HIEDRN C[C@@H]1OCC[C@H]1N(CCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000431982159 858901577 /nfs/dbraw/zinc/90/15/77/858901577.db2.gz PHZXSFODUGWCMI-IFXJQAMLSA-N 0 0 415.877 4.008 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)ccc1Oc1ccc(F)cc1 ZINC000431983493 858903557 /nfs/dbraw/zinc/90/35/57/858903557.db2.gz AKLPLBXHCQBXCX-UHFFFAOYSA-N 0 0 417.440 4.361 20 30 HIEDRN CCCOc1ccc(CN(CCC)C(=O)C(=O)Nc2cccc(C#N)c2C)cc1OC ZINC000431986957 858905883 /nfs/dbraw/zinc/90/58/83/858905883.db2.gz OQXOMOAUPFENNL-UHFFFAOYSA-N 0 0 423.513 4.041 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000431986816 858906136 /nfs/dbraw/zinc/90/61/36/858906136.db2.gz NNTPEGIYRBQRKR-UHFFFAOYSA-N 0 0 410.477 4.179 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCCO)Cc1ccccn1 ZINC000431988941 858906348 /nfs/dbraw/zinc/90/63/48/858906348.db2.gz XADKTRDJSDCUMF-UHFFFAOYSA-N 0 0 416.481 4.471 20 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/nfs/dbraw/zinc/97/10/04/858971004.db2.gz GCRGUSNBFARTPW-HOTGVXAUSA-N 0 0 408.527 4.133 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000432099094 858988195 /nfs/dbraw/zinc/98/81/95/858988195.db2.gz PQCXLWBTGDHAAH-VWXURSGXSA-N 0 0 403.548 4.129 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000432175525 859031692 /nfs/dbraw/zinc/03/16/92/859031692.db2.gz GSISIEIPXGFLIA-GOSISDBHSA-N 0 0 407.539 4.308 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000432196061 859042056 /nfs/dbraw/zinc/04/20/56/859042056.db2.gz MHOFLMJLAUHYIR-YPAWHYETSA-N 0 0 408.473 4.107 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000432259899 859073283 /nfs/dbraw/zinc/07/32/83/859073283.db2.gz VGUSRQWRQYXYBF-LBPRGKRZSA-N 0 0 416.275 4.283 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1C#N ZINC000432264994 859075328 /nfs/dbraw/zinc/07/53/28/859075328.db2.gz OYIWIZZATDZCJV-MRXNPFEDSA-N 0 0 423.391 4.099 20 30 HIEDRN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000432281399 859083448 /nfs/dbraw/zinc/08/34/48/859083448.db2.gz DOITUBZQTGYJKG-SECBINFHSA-N 0 0 413.314 4.488 20 30 HIEDRN CCN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000432286073 859085279 /nfs/dbraw/zinc/08/52/79/859085279.db2.gz PWJOXSNETYDAKL-CQSZACIVSA-N 0 0 407.440 4.609 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCC[C@H](c2ccccc2)C(F)(F)F)cc1Cl ZINC000432302039 859093193 /nfs/dbraw/zinc/09/31/93/859093193.db2.gz YCTYREFOPXMQQX-OAHLLOKOSA-N 0 0 402.825 4.226 20 30 HIEDRN CN1C(=O)N([C@@H](CCC#N)c2ccccc2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000432393312 859142447 /nfs/dbraw/zinc/14/24/47/859142447.db2.gz UOZWGYBUWBONTA-ZWKOTPCHSA-N 0 0 412.287 4.429 20 30 HIEDRN COc1ccc(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c(F)c1 ZINC000467565829 881387349 /nfs/dbraw/zinc/38/73/49/881387349.db2.gz MGYDDLDQABVSBN-UHFFFAOYSA-N 0 0 406.461 4.158 20 30 HIEDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432405954 859148629 /nfs/dbraw/zinc/14/86/29/859148629.db2.gz YHCSAUOGJPBZLB-UHFFFAOYSA-N 0 0 404.514 4.057 20 30 HIEDRN N#Cc1cscc1C(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000432409036 859150824 /nfs/dbraw/zinc/15/08/24/859150824.db2.gz WRYPZJCWGYABCD-UHFFFAOYSA-N 0 0 411.527 4.445 20 30 HIEDRN COc1ccc([C@@H](NC(=O)NCc2c(F)cc(F)c(F)c2F)C(F)(F)F)cc1 ZINC000432462371 859174897 /nfs/dbraw/zinc/17/48/97/859174897.db2.gz IGYYAPLTHBWHBV-OAHLLOKOSA-N 0 0 410.289 4.354 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000467577931 881394228 /nfs/dbraw/zinc/39/42/28/881394228.db2.gz MPXNRGVYMFQHHH-INIZCTEOSA-N 0 0 411.527 4.464 20 30 HIEDRN Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(OC[C@@H]2CCCO2)c1 ZINC000432481265 859185847 /nfs/dbraw/zinc/18/58/47/859185847.db2.gz YLJHXQUZLVZKQY-IBGZPJMESA-N 0 0 421.497 4.172 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c(Cl)c1 ZINC000432495853 859193361 /nfs/dbraw/zinc/19/33/61/859193361.db2.gz SOXNWRYJSOODET-UHFFFAOYSA-N 0 0 403.269 4.138 20 30 HIEDRN N#CCCn1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(-c2ccncc2)n1 ZINC000432501463 859196407 /nfs/dbraw/zinc/19/64/07/859196407.db2.gz MCWIELOOZGYCOK-UHFFFAOYSA-N 0 0 402.483 4.115 20 30 HIEDRN C=CCN(C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000432524943 859208360 /nfs/dbraw/zinc/20/83/60/859208360.db2.gz HVCMSARPMRITCW-LRQRDZAKSA-N 0 0 420.492 4.006 20 30 HIEDRN CCOc1c(Cl)cc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cc1Cl ZINC000467580141 881395329 /nfs/dbraw/zinc/39/53/29/881395329.db2.gz VELQTPNMYLPCET-QGZVFWFLSA-N 0 0 420.296 4.492 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432571110 859232256 /nfs/dbraw/zinc/23/22/56/859232256.db2.gz FZZIRRFLTOMXOV-LIRRHRJNSA-N 0 0 404.495 4.284 20 30 HIEDRN Cc1c(F)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Br ZINC000432646668 859271049 /nfs/dbraw/zinc/27/10/49/859271049.db2.gz ZNGRXKDCRGXMGB-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN CN(CC(C)(C)C#N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000432674850 859285669 /nfs/dbraw/zinc/28/56/69/859285669.db2.gz FKMODPLJXCKXMG-UHFFFAOYSA-N 0 0 416.884 4.423 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000432676966 859286739 /nfs/dbraw/zinc/28/67/39/859286739.db2.gz AWMBCRVCCNXONM-HXUWFJFHSA-N 0 0 417.538 4.055 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000432685755 859293322 /nfs/dbraw/zinc/29/33/22/859293322.db2.gz HTQSBYBGCLURCH-UHFFFAOYSA-N 0 0 419.488 4.257 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)C2)nc1 ZINC000432698145 859301617 /nfs/dbraw/zinc/30/16/17/859301617.db2.gz UVOBURSNHRURGE-QHCPKHFHSA-N 0 0 408.461 4.038 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000432716262 859314800 /nfs/dbraw/zinc/31/48/00/859314800.db2.gz JKEUVJDWAVSDCC-UHFFFAOYSA-N 0 0 405.376 4.247 20 30 HIEDRN COc1ccc(Br)c(OCC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000432724938 859320598 /nfs/dbraw/zinc/32/05/98/859320598.db2.gz JMFDUKHJJKUASU-UHFFFAOYSA-N 0 0 417.303 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C=CCC[C@H](NC(=O)C(=O)Nc1ccnn1CCC)c1ccc(C(F)(F)F)cc1 ZINC000442101085 867127937 /nfs/dbraw/zinc/12/79/37/867127937.db2.gz XFAKGLTXCOVUGZ-INIZCTEOSA-N 0 0 408.424 4.074 20 30 HIEDRN CC1(C)CCCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000442117713 867140844 /nfs/dbraw/zinc/14/08/44/867140844.db2.gz DZYBECJRABLNIR-UHFFFAOYSA-N 0 0 423.488 4.254 20 30 HIEDRN CCS[C@H]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000442123580 867147377 /nfs/dbraw/zinc/14/73/77/867147377.db2.gz GNNXRRXBHPGNGB-RXVVDRJESA-N 0 0 423.538 4.422 20 30 HIEDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)Nc2cccc(OCCCC#N)c2)o1 ZINC000442126930 867148779 /nfs/dbraw/zinc/14/87/79/867148779.db2.gz GTYLCDUMKCXXDJ-JXFKEZNVSA-N 0 0 409.486 4.209 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1CCCCC1 ZINC000442129996 867152943 /nfs/dbraw/zinc/15/29/43/867152943.db2.gz ZPWJDMROCKRGSB-MRXNPFEDSA-N 0 0 423.488 4.300 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3Cc3ccccc3)cc2)c1 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N#Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)ccc1OC(F)(F)F ZINC000442222015 867248911 /nfs/dbraw/zinc/24/89/11/867248911.db2.gz BQHLTJIBYJKQJN-FUHWJXTLSA-N 0 0 405.376 4.499 20 30 HIEDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000442226052 867256211 /nfs/dbraw/zinc/25/62/11/867256211.db2.gz YERKYXZURUAHDA-HKUYNNGSSA-N 0 0 409.555 4.499 20 30 HIEDRN COc1cc(C)c(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1F ZINC000442250652 867290590 /nfs/dbraw/zinc/29/05/90/867290590.db2.gz LMGSENMFSBARMK-UHFFFAOYSA-N 0 0 419.412 4.384 20 30 HIEDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1c1ccccc1 ZINC000442257953 867295243 /nfs/dbraw/zinc/29/52/43/867295243.db2.gz ONWFIWQQSQWTJC-KSSFIOAISA-N 0 0 415.415 4.168 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000468194573 882072215 /nfs/dbraw/zinc/07/22/15/882072215.db2.gz HTYDCAOZQUAEEU-UHFFFAOYSA-N 0 0 422.485 4.246 20 30 HIEDRN C=CCC[C@@H](NC(=O)N1CCC[C@H](CNC(C)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000442281683 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ZINC000468202844 882083579 /nfs/dbraw/zinc/08/35/79/882083579.db2.gz TVRXBHJLMBITSW-QGZVFWFLSA-N 0 0 420.513 4.426 20 30 HIEDRN Cc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)o1 ZINC000442465643 867446646 /nfs/dbraw/zinc/44/66/46/867446646.db2.gz TXNCIKMQTKJJRB-GOSISDBHSA-N 0 0 400.478 4.064 20 30 HIEDRN CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000442492420 867476281 /nfs/dbraw/zinc/47/62/81/867476281.db2.gz FMENSJNHDGKMGQ-MSOLQXFVSA-N 0 0 407.514 4.211 20 30 HIEDRN CCN(C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H](C)Cc1ccsc1 ZINC000442494728 867477353 /nfs/dbraw/zinc/47/73/53/867477353.db2.gz LLBWXFNVFXQSFC-AWEZNQCLSA-N 0 0 424.551 4.161 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000442591045 867549178 /nfs/dbraw/zinc/54/91/78/867549178.db2.gz BRRHCSVROMCZCC-UONOGXRCSA-N 0 0 417.481 4.217 20 30 HIEDRN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000442626013 867570206 /nfs/dbraw/zinc/57/02/06/867570206.db2.gz SHFLURSYEHRWMB-UHFFFAOYSA-N 0 0 418.881 4.060 20 30 HIEDRN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442728563 867652772 /nfs/dbraw/zinc/65/27/72/867652772.db2.gz JJUKDLNAOFVGQA-MYKUNDNFSA-N 0 0 404.505 4.073 20 30 HIEDRN N#Cc1cc(NC(=O)c2cnn3c2nccc3-c2ccccc2)ccc1OC(F)(F)F ZINC000442934012 867749097 /nfs/dbraw/zinc/74/90/97/867749097.db2.gz GILJYNIOELFIMW-UHFFFAOYSA-N 0 0 423.354 4.419 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1O ZINC000442956612 867763698 /nfs/dbraw/zinc/76/36/98/867763698.db2.gz PHXHYVINXFDRIA-KRWDZBQOSA-N 0 0 418.280 4.204 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000442963380 867767996 /nfs/dbraw/zinc/76/79/96/867767996.db2.gz MASWAJPNCWZLGF-KRWDZBQOSA-N 0 0 418.280 4.204 20 30 HIEDRN CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443018162 867794005 /nfs/dbraw/zinc/79/40/05/867794005.db2.gz IYCSNOQZLSKHHJ-ZDUSSCGKSA-N 0 0 412.433 4.357 20 30 HIEDRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443020910 867794655 /nfs/dbraw/zinc/79/46/55/867794655.db2.gz NBQBTPYHVDQFCL-UHFFFAOYSA-N 0 0 410.470 4.097 20 30 HIEDRN Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443021363 867794690 /nfs/dbraw/zinc/79/46/90/867794690.db2.gz ISDDITVHSLUOIX-UHFFFAOYSA-N 0 0 411.914 4.306 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C#N ZINC000443025401 867795728 /nfs/dbraw/zinc/79/57/28/867795728.db2.gz JUFXVFKBSJLJNV-CYBMUJFWSA-N 0 0 401.488 4.169 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1C#N ZINC000443071186 867809651 /nfs/dbraw/zinc/80/96/51/867809651.db2.gz MZMDWRUYJUQVCB-UHFFFAOYSA-N 0 0 405.454 4.273 20 30 HIEDRN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000443070376 867809893 /nfs/dbraw/zinc/80/98/93/867809893.db2.gz LFJGOZXHSVXWCI-MRXNPFEDSA-N 0 0 400.891 4.031 20 30 HIEDRN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1cccc(C)c1C#N ZINC000443098464 867817622 /nfs/dbraw/zinc/81/76/22/867817622.db2.gz XPMGZOFSQHFZQL-UHFFFAOYSA-N 0 0 412.536 4.328 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000443103172 867819233 /nfs/dbraw/zinc/81/92/33/867819233.db2.gz QSCPCJPQWUONGK-UHFFFAOYSA-N 0 0 417.849 4.017 20 30 HIEDRN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000443099567 867819261 /nfs/dbraw/zinc/81/92/61/867819261.db2.gz AXDXXYJPCVZCRJ-UHFFFAOYSA-N 0 0 401.488 4.166 20 30 HIEDRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C#N ZINC000443112920 867824573 /nfs/dbraw/zinc/82/45/73/867824573.db2.gz XOWWPTOJJITPKJ-KRWDZBQOSA-N 0 0 419.506 4.159 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443114998 867825837 /nfs/dbraw/zinc/82/58/37/867825837.db2.gz YIOODANKQNVLMA-CYBMUJFWSA-N 0 0 407.417 4.221 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1cc2ccccc2o1 ZINC000443145451 867841777 /nfs/dbraw/zinc/84/17/77/867841777.db2.gz ITDQETGRHITYTQ-NSHDSACASA-N 0 0 417.343 4.019 20 30 HIEDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)c(O)c1)CCO2 ZINC000443278578 867888593 /nfs/dbraw/zinc/88/85/93/867888593.db2.gz DPLZLLJAXIIGCM-QFIPXVFZSA-N 0 0 414.461 4.439 20 30 HIEDRN C[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(Br)s1 ZINC000443315418 867900571 /nfs/dbraw/zinc/90/05/71/867900571.db2.gz NIJUXAMVAOLTLZ-DOMZBBRYSA-N 0 0 420.332 4.226 20 30 HIEDRN N#CC1CCC(CNC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000443330611 867908051 /nfs/dbraw/zinc/90/80/51/867908051.db2.gz KGKVWJGAGBLQSV-UHFFFAOYSA-N 0 0 418.522 4.348 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000443335491 867909514 /nfs/dbraw/zinc/90/95/14/867909514.db2.gz PDGGOMPDADVWSL-QGZVFWFLSA-N 0 0 401.576 4.443 20 30 HIEDRN CN(c1cccc2ccccc21)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443367899 867931910 /nfs/dbraw/zinc/93/19/10/867931910.db2.gz DPZHVUCLMUVTHU-UHFFFAOYSA-N 0 0 401.285 4.299 20 30 HIEDRN CCOc1cccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000443400711 867959578 /nfs/dbraw/zinc/95/95/78/867959578.db2.gz AEKVCZJBDJPXHY-UHFFFAOYSA-N 0 0 409.467 4.254 20 30 HIEDRN N#Cc1cc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)ccc1C(F)(F)F ZINC000443403395 867968886 /nfs/dbraw/zinc/96/88/86/867968886.db2.gz AVYSWKPVNAEHQN-UHFFFAOYSA-N 0 0 408.401 4.361 20 30 HIEDRN COc1ccc(Cc2nnc(SCC#Cc3ccc(Cl)cc3)o2)cc1OC ZINC000443413904 867997657 /nfs/dbraw/zinc/99/76/57/867997657.db2.gz HIPBTDUIZAAFNI-UHFFFAOYSA-N 0 0 400.887 4.475 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nc3c(s2)CCCC3)cc1C ZINC000443420585 868003387 /nfs/dbraw/zinc/00/33/87/868003387.db2.gz ZWKCOQGNIVMZLT-UHFFFAOYSA-N 0 0 419.554 4.346 20 30 HIEDRN CCOc1ccc([C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2cccc(Cl)c2)cc1 ZINC000443456262 868044928 /nfs/dbraw/zinc/04/49/28/868044928.db2.gz SXWRDVSZHPPSDV-DHIUTWEWSA-N 0 0 413.949 4.472 20 30 HIEDRN C=CCN(C(=O)COc1cnn(C)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000443459830 868048123 /nfs/dbraw/zinc/04/81/23/868048123.db2.gz HQEWVCMBCWKBJH-UHFFFAOYSA-N 0 0 423.325 4.448 20 30 HIEDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443471344 868059097 /nfs/dbraw/zinc/05/90/97/868059097.db2.gz BLBKPAIHBBCYFF-GFCCVEGCSA-N 0 0 411.296 4.232 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000443488374 868068909 /nfs/dbraw/zinc/06/89/09/868068909.db2.gz RRXOFJKGUQINSM-MRXNPFEDSA-N 0 0 401.875 4.269 20 30 HIEDRN N#Cc1nc(NCCCCc2nc(-c3cccnc3)cs2)ccc1C(F)(F)F ZINC000443525605 868084196 /nfs/dbraw/zinc/08/41/96/868084196.db2.gz ZLZCXAQHBBSBKK-UHFFFAOYSA-N 0 0 403.433 4.925 20 30 HIEDRN CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1C ZINC000443532134 868090950 /nfs/dbraw/zinc/09/09/50/868090950.db2.gz MUXCSEOJGNTZLI-OAHLLOKOSA-N 0 0 420.494 4.033 20 30 HIEDRN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443534508 868093572 /nfs/dbraw/zinc/09/35/72/868093572.db2.gz RPQQVRMARJJLJB-LBPRGKRZSA-N 0 0 419.300 4.449 20 30 HIEDRN Cc1cc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)n(C(C)(C)C)n1 ZINC000443544357 868100909 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ZINC000460373161 873009906 /nfs/dbraw/zinc/00/99/06/873009906.db2.gz SVXOJIBKFLVPLD-UHFFFAOYSA-N 0 0 422.554 4.094 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000460373673 873010013 /nfs/dbraw/zinc/01/00/13/873010013.db2.gz IEESOESAKPMXGX-UHFFFAOYSA-N 0 0 417.561 4.141 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N(CCOC)Cc1ccco1 ZINC000460374389 873011507 /nfs/dbraw/zinc/01/15/07/873011507.db2.gz HTUXEHIUWBFBJD-UHFFFAOYSA-N 0 0 400.910 4.344 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccccc2)c2ccccc21 ZINC000460374946 873013334 /nfs/dbraw/zinc/01/33/34/873013334.db2.gz NJRJGYRXADQBOZ-OAQYLSRUSA-N 0 0 413.525 4.374 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000460376316 873015268 /nfs/dbraw/zinc/01/52/68/873015268.db2.gz SHLWLXPYXDXGEM-SFHVURJKSA-N 0 0 419.529 4.274 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000460376315 873015609 /nfs/dbraw/zinc/01/56/09/873015609.db2.gz SHLWLXPYXDXGEM-GOSISDBHSA-N 0 0 419.529 4.274 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)Cc1cccc(Br)c1 ZINC000460377131 873016120 /nfs/dbraw/zinc/01/61/20/873016120.db2.gz XCJGYRVOAMSLEJ-KRWDZBQOSA-N 0 0 405.340 4.495 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)NCc2cccc(N3CC=CC3)c2)cc1 ZINC000460377516 873016284 /nfs/dbraw/zinc/01/62/84/873016284.db2.gz YZAQHJUOQCGNJS-UHFFFAOYSA-N 0 0 409.489 4.443 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC=C(COC)CC1 ZINC000460378229 873016589 /nfs/dbraw/zinc/01/65/89/873016589.db2.gz BLXDGFQSDGUADV-UHFFFAOYSA-N 0 0 409.353 4.128 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC000460377908 873017380 /nfs/dbraw/zinc/01/73/80/873017380.db2.gz ARVIJKYRZIVNCB-UHFFFAOYSA-N 0 0 422.504 4.452 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1cccs1 ZINC000460384347 873026909 /nfs/dbraw/zinc/02/69/09/873026909.db2.gz GOWKBUDIHDKUIL-OAHLLOKOSA-N 0 0 420.542 4.027 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC000460384662 873028346 /nfs/dbraw/zinc/02/83/46/873028346.db2.gz YCKOAFZVSASREL-SFHVURJKSA-N 0 0 424.570 4.431 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC000460388844 873034169 /nfs/dbraw/zinc/03/41/69/873034169.db2.gz PHUKSUUEHFTYFN-UHFFFAOYSA-N 0 0 407.518 4.423 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCn2ccnc2C1 ZINC000460390013 873036639 /nfs/dbraw/zinc/03/66/39/873036639.db2.gz VFISSJFWEUSLGS-UHFFFAOYSA-N 0 0 406.534 4.163 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000460392797 873041056 /nfs/dbraw/zinc/04/10/56/873041056.db2.gz GTSCSBQPZCIGLN-ADKRDUOOSA-N 0 0 409.559 4.159 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000460398365 873047868 /nfs/dbraw/zinc/04/78/68/873047868.db2.gz GCIVGNGCIACQRC-UHFFFAOYSA-N 0 0 410.905 4.094 20 30 HIEDRN Cc1cccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)n1 ZINC000460429541 873092683 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C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(CC)OCCc2ccccc21 ZINC000462163215 875258405 /nfs/dbraw/zinc/25/84/05/875258405.db2.gz IYITZJXPAQLEGO-QHCPKHFHSA-N 0 0 409.486 4.171 20 30 HIEDRN COc1ccc([C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2Cl)c(C)c1 ZINC000462175629 875274642 /nfs/dbraw/zinc/27/46/42/875274642.db2.gz LCYOJIYKBZCUNJ-DHIUTWEWSA-N 0 0 413.949 4.391 20 30 HIEDRN CN(CCCOc1ccccc1)C(=O)CNc1ccccc1Oc1ncccc1C#N ZINC000462204724 875313561 /nfs/dbraw/zinc/31/35/61/875313561.db2.gz AZZCJUUWUNLORK-UHFFFAOYSA-N 0 0 416.481 4.085 20 30 HIEDRN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000462228077 875337846 /nfs/dbraw/zinc/33/78/46/875337846.db2.gz BNGKCXPWTQPJRM-NRFANRHFSA-N 0 0 408.889 4.322 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NCC(=O)NCCOc3cccc(F)c3)c2)cc1 ZINC000462238882 875352712 /nfs/dbraw/zinc/35/27/12/875352712.db2.gz QSRWVLXRPWHDLY-UHFFFAOYSA-N 0 0 405.429 4.097 20 30 HIEDRN COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C2)cc1 ZINC000468883815 882923578 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CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1Cl ZINC000464165066 877332058 /nfs/dbraw/zinc/33/20/58/877332058.db2.gz AXCHGSUMQNROGP-UHFFFAOYSA-N 0 0 408.260 4.037 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1c(C)nn(C)c1Sc1ccccc1 ZINC000464165867 877333377 /nfs/dbraw/zinc/33/33/77/877333377.db2.gz BTUOWSRVUZVNJV-UHFFFAOYSA-N 0 0 422.510 4.029 20 30 HIEDRN N#Cc1ccccc1S(=O)(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000464218632 877388583 /nfs/dbraw/zinc/38/85/83/877388583.db2.gz YVPRHJROJXCXDO-INIZCTEOSA-N 0 0 413.499 4.177 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000464262672 877443405 /nfs/dbraw/zinc/44/34/05/877443405.db2.gz FNMZLYGTNUPEMC-OAHLLOKOSA-N 0 0 406.486 4.481 20 30 HIEDRN Cc1nc(SCC(=O)NCc2cccc(-c3cccnc3)c2)c(C#N)c(C)c1C ZINC000464322757 877511099 /nfs/dbraw/zinc/51/10/99/877511099.db2.gz CAPVEKIDZDKSLY-UHFFFAOYSA-N 0 0 402.523 4.349 20 30 HIEDRN N#Cc1ccc(SCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC000464338090 877528603 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424.508 4.090 20 30 HIEDRN Cc1c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)nnn1-c1cccc2ncccc21 ZINC000470197215 884505541 /nfs/dbraw/zinc/50/55/41/884505541.db2.gz YUZHPHDXNUFKLC-UHFFFAOYSA-N 0 0 416.529 4.352 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)CCc3nc4ccccc4s3)CC2)c(Cl)c1 ZINC000470213869 884538417 /nfs/dbraw/zinc/53/84/17/884538417.db2.gz LMOBMXKMHCZZCL-UHFFFAOYSA-N 0 0 410.930 4.103 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)c(Cl)c1 ZINC000470222832 884549728 /nfs/dbraw/zinc/54/97/28/884549728.db2.gz JSEYYUUABTXHAB-UHFFFAOYSA-N 0 0 422.685 4.076 20 30 HIEDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000470224821 884551354 /nfs/dbraw/zinc/55/13/54/884551354.db2.gz ULTQJKJVHHTNNJ-DEXQXJORSA-N 0 0 417.962 4.017 20 30 HIEDRN COc1ccc2nc(C)cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c2c1 ZINC000470227060 884552914 /nfs/dbraw/zinc/55/29/14/884552914.db2.gz COZITLQWTMZCHX-UHFFFAOYSA-N 0 0 420.900 4.039 20 30 HIEDRN CC(C)OCCN1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000470227213 884552954 /nfs/dbraw/zinc/55/29/54/884552954.db2.gz VBKRJBGOTGKBAI-UHFFFAOYSA-N 0 0 423.582 4.033 20 30 HIEDRN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)on2)cc1 ZINC000470234271 884561383 /nfs/dbraw/zinc/56/13/83/884561383.db2.gz URBWGXNSNUDQAF-UHFFFAOYSA-N 0 0 406.873 4.138 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc([C@@H]4CCCOC4)cc3)CC2)c(Cl)c1 ZINC000470235569 884563650 /nfs/dbraw/zinc/56/36/50/884563650.db2.gz ZTUFYGLELDBWQU-HXUWFJFHSA-N 0 0 409.917 4.068 20 30 HIEDRN CCCN(CC)C(=O)c1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503841810 912837723 /nfs/dbraw/zinc/83/77/23/912837723.db2.gz PTEMXXKQLTYUCU-UHFFFAOYSA-N 0 0 401.510 4.360 20 30 HIEDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000470256211 884594219 /nfs/dbraw/zinc/59/42/19/884594219.db2.gz TVCFRSMPVOJQLG-UHFFFAOYSA-N 0 0 415.497 4.180 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000503868684 912846430 /nfs/dbraw/zinc/84/64/30/912846430.db2.gz CWRLRXYOPSTTNK-KSFYIVLOSA-N 0 0 405.885 4.474 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000470281737 884646925 /nfs/dbraw/zinc/64/69/25/884646925.db2.gz AOCMSKAPCWUHTF-UHFFFAOYSA-N 0 0 404.392 4.043 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000470288575 884658417 /nfs/dbraw/zinc/65/84/17/884658417.db2.gz KBPSDRQSDIYECM-SOAGJPPSSA-N 0 0 421.497 4.238 20 30 HIEDRN CSc1ncc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n1-c1ccccc1 ZINC000503898100 912856203 /nfs/dbraw/zinc/85/62/03/912856203.db2.gz SHQZOQCWKFUSCV-UHFFFAOYSA-N 0 0 400.507 4.395 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000470345191 884736427 /nfs/dbraw/zinc/73/64/27/884736427.db2.gz GUIJPMPIPYJYTN-LLVKDONJSA-N 0 0 404.264 4.221 20 30 HIEDRN COC(=O)[C@](C)(CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 ZINC000470362318 884756584 /nfs/dbraw/zinc/75/65/84/884756584.db2.gz JFYOFHCCINHAEK-OPAMFIHVSA-N 0 0 411.527 4.191 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000503906920 912859608 /nfs/dbraw/zinc/85/96/08/912859608.db2.gz CSOQVSAFWCLOAN-UHFFFAOYSA-N 0 0 411.845 4.205 20 30 HIEDRN C=C[C@H](CC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccccc1 ZINC000470420688 884822975 /nfs/dbraw/zinc/82/29/75/884822975.db2.gz WFXFXBXAIGZFMP-OAHLLOKOSA-N 0 0 411.445 4.085 20 30 HIEDRN C=C[C@@H](CC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccccc1 ZINC000470420687 884823382 /nfs/dbraw/zinc/82/33/82/884823382.db2.gz WFXFXBXAIGZFMP-HNNXBMFYSA-N 0 0 411.445 4.085 20 30 HIEDRN Cc1ccc(C)c(-n2c3nnc(S[C@H](C)CCC#N)n3c3ccccc3c2=O)c1 ZINC000470443733 884841296 /nfs/dbraw/zinc/84/12/96/884841296.db2.gz AMLCSYDDLLTVKF-MRXNPFEDSA-N 0 0 403.511 4.435 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cc(C[S@@](C)=O)ccc2Cl)c1 ZINC000470525897 884920895 /nfs/dbraw/zinc/92/08/95/884920895.db2.gz MAEIVNWZFHBHDR-MUUNZHRXSA-N 0 0 417.962 4.194 20 30 HIEDRN Cc1ccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1C(=O)NC(C)C ZINC000470528853 884925673 /nfs/dbraw/zinc/92/56/73/884925673.db2.gz BRHYZNFEYNLQPI-UHFFFAOYSA-N 0 0 412.921 4.145 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2cccc(C(=O)N3CCCC3)c2)ccc1Cl ZINC000470530677 884929495 /nfs/dbraw/zinc/92/94/95/884929495.db2.gz IMPLFBVUQWLPRO-UHFFFAOYSA-N 0 0 424.932 4.243 20 30 HIEDRN COC(=O)c1ccc(OC(C)C)c(NCC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000470534847 884935532 /nfs/dbraw/zinc/93/55/32/884935532.db2.gz VORVKBLAQLXUDA-UHFFFAOYSA-N 0 0 423.513 4.236 20 30 HIEDRN C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470537421 884940456 /nfs/dbraw/zinc/94/04/56/884940456.db2.gz OPBKTSDAGUJURM-KRWDZBQOSA-N 0 0 420.513 4.118 20 30 HIEDRN CC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1c(C)noc1C ZINC000470537798 884941373 /nfs/dbraw/zinc/94/13/73/884941373.db2.gz MKOZHCPDXHKRMC-SFHVURJKSA-N 0 0 409.490 4.147 20 30 HIEDRN Cc1c(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cnn1CC(C)C ZINC000470539075 884942232 /nfs/dbraw/zinc/94/22/32/884942232.db2.gz UUDZGMKYDDOYIJ-UHFFFAOYSA-N 0 0 408.506 4.075 20 30 HIEDRN N#Cc1ccc(SCC(=O)N[C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000470542715 884947347 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Cc1cccc(N(CCC#N)C(=O)CNc2cccc(OC[C@H]3CCCO3)c2)c1C ZINC000470548431 884959831 /nfs/dbraw/zinc/95/98/31/884959831.db2.gz IHOUYIDEKQAPAM-JOCHJYFZSA-N 0 0 407.514 4.220 20 30 HIEDRN N#CCCN(CCC#N)C(=O)CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000470551401 884962501 /nfs/dbraw/zinc/96/25/01/884962501.db2.gz AMHIYUZWCSHQOZ-UHFFFAOYSA-N 0 0 415.324 4.328 20 30 HIEDRN CN(C(=O)c1ccccc1NCC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000470554415 884969123 /nfs/dbraw/zinc/96/91/23/884969123.db2.gz AOPGJQYDIRYDMP-UHFFFAOYSA-N 0 0 418.541 4.450 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2ccccc2N2CCCC2=O)ccc1Cl ZINC000470557471 884973443 /nfs/dbraw/zinc/97/34/43/884973443.db2.gz XQRBVYVANLETEP-UHFFFAOYSA-N 0 0 410.905 4.134 20 30 HIEDRN Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)o1 ZINC000470557947 884973749 /nfs/dbraw/zinc/97/37/49/884973749.db2.gz YPOFDLRXNQKIOH-MRXNPFEDSA-N 0 0 408.502 4.314 20 30 HIEDRN Cc1ccc(O[C@@H](C)CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000470558017 884973819 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CCC1(CC)CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC[S@@]1=O ZINC000470602973 885030104 /nfs/dbraw/zinc/03/01/04/885030104.db2.gz VJEXOFVYTKDCGK-LJAQVGFWSA-N 0 0 410.539 4.422 20 30 HIEDRN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H]1C ZINC000470613172 885038737 /nfs/dbraw/zinc/03/87/37/885038737.db2.gz UXNJEWZDCXHRAF-BJZITVGISA-N 0 0 411.889 4.411 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3cnc4c(cnn4Cc4ccccc4)c3)CC2)cc1 ZINC000503973588 912891163 /nfs/dbraw/zinc/89/11/63/912891163.db2.gz QBCKDBMULLEDSF-UHFFFAOYSA-N 0 0 419.488 4.281 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000503974077 912891228 /nfs/dbraw/zinc/89/12/28/912891228.db2.gz VBWTVWIGGNQLBS-UHFFFAOYSA-N 0 0 404.495 4.308 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000470641404 885065848 /nfs/dbraw/zinc/06/58/48/885065848.db2.gz KGOWBSPMQJIELG-UHFFFAOYSA-N 0 0 403.530 4.043 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000470643612 885068180 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4.219 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)NC3(c4c(Cl)cccc4Cl)CC3)cc2)c1N ZINC000470739671 885201132 /nfs/dbraw/zinc/20/11/32/885201132.db2.gz DAOPKSZTQZSSMA-UHFFFAOYSA-N 0 0 412.280 4.052 20 30 HIEDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(C(F)(F)F)c1F ZINC000470771701 885238521 /nfs/dbraw/zinc/23/85/21/885238521.db2.gz GKCJZBSRNODMCL-HNNXBMFYSA-N 0 0 423.284 4.248 20 30 HIEDRN Cn1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(C2CCCCC2)n1 ZINC000470774749 885241417 /nfs/dbraw/zinc/24/14/17/885241417.db2.gz VVCXNMCYVCCIKS-UHFFFAOYSA-N 0 0 419.529 4.303 20 30 HIEDRN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470789682 885267094 /nfs/dbraw/zinc/26/70/94/885267094.db2.gz MUDXGWHKNDZCMX-UHFFFAOYSA-N 0 0 409.461 4.205 20 30 HIEDRN Cn1nc(C(F)F)c2cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)sc21 ZINC000470793164 885272615 /nfs/dbraw/zinc/27/26/15/885272615.db2.gz FRARADQCQOYNBH-UHFFFAOYSA-N 0 0 413.371 4.373 20 30 HIEDRN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1Cl ZINC000470819159 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408.461 4.440 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 ZINC000470910795 885418913 /nfs/dbraw/zinc/41/89/13/885418913.db2.gz LNTIEBZJLCUBNJ-UHFFFAOYSA-N 0 0 410.829 4.368 20 30 HIEDRN C[C@H](Oc1cnc2ccccc2c1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000470943516 885442381 /nfs/dbraw/zinc/44/23/81/885442381.db2.gz GBRQVIIXKFODSB-RPCJCACASA-N 0 0 415.493 4.380 20 30 HIEDRN CCc1cccc(C)c1NC(=O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471000342 885501317 /nfs/dbraw/zinc/50/13/17/885501317.db2.gz ZQNUQVFHHVRCLE-NRFANRHFSA-N 0 0 410.949 4.032 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2nnc(-c3ccccc3)s2)CC1 ZINC000471008790 885509725 /nfs/dbraw/zinc/50/97/25/885509725.db2.gz UOXNUVIPENLLQQ-LJQANCHMSA-N 0 0 409.946 4.241 20 30 HIEDRN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000471012448 885515351 /nfs/dbraw/zinc/51/53/51/885515351.db2.gz PTCDFRUTHITTAA-GFCCVEGCSA-N 0 0 412.902 4.316 20 30 HIEDRN Cc1ccccc1Cc1nnc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000471015806 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410.315 4.097 20 30 HIEDRN N#CCCCCNC(=O)C(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000471067003 885583265 /nfs/dbraw/zinc/58/32/65/885583265.db2.gz SVXZIRYDFWUMGG-UHFFFAOYSA-N 0 0 412.902 4.365 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000471097208 885626202 /nfs/dbraw/zinc/62/62/02/885626202.db2.gz AMNHEDQDNMKJGI-HNNXBMFYSA-N 0 0 410.264 4.372 20 30 HIEDRN C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000471106986 885640347 /nfs/dbraw/zinc/64/03/47/885640347.db2.gz DZRUKJSZPBCLBT-AWEZNQCLSA-N 0 0 417.856 4.352 20 30 HIEDRN CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000471111798 885646526 /nfs/dbraw/zinc/64/65/26/885646526.db2.gz GVFDKAMXCROXSO-UHFFFAOYSA-N 0 0 412.486 4.361 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000471129380 885666950 /nfs/dbraw/zinc/66/69/50/885666950.db2.gz NJNSVSZKEXAWDY-FQEVSTJZSA-N 0 0 420.310 4.319 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCC(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000471137937 885679370 /nfs/dbraw/zinc/67/93/70/885679370.db2.gz XMMPIFVWJLIHHF-AREMUKBSSA-N 0 0 407.517 4.458 20 30 HIEDRN O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471144521 885688891 /nfs/dbraw/zinc/68/88/91/885688891.db2.gz SAHJDDYWJHVHEU-JOYOIKCWSA-N 0 0 406.729 4.083 20 30 HIEDRN CCN(C(=O)Cc1cccc(I)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000471148132 885694712 /nfs/dbraw/zinc/69/47/12/885694712.db2.gz KAWHSMNZGWNTBO-CQSZACIVSA-N 0 0 418.278 4.315 20 30 HIEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000471149008 885695535 /nfs/dbraw/zinc/69/55/35/885695535.db2.gz XDEWIWGXSPDMCC-QFIPXVFZSA-N 0 0 422.529 4.244 20 30 HIEDRN Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504069934 912970549 /nfs/dbraw/zinc/97/05/49/912970549.db2.gz JPFBMOBAJWEADK-XMMPIXPASA-N 0 0 421.497 4.448 20 30 HIEDRN CC[C@H](NC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(F)(F)F ZINC000471198362 885768687 /nfs/dbraw/zinc/76/86/87/885768687.db2.gz HYGYRTDFMXRGIL-WBVHZDCISA-N 0 0 423.822 4.391 20 30 HIEDRN CC[C@@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1)Oc1ccc(Cl)c(Cl)c1 ZINC000471207338 885780164 /nfs/dbraw/zinc/78/01/64/885780164.db2.gz LNLPYBXBWFORJC-HNNXBMFYSA-N 0 0 420.296 4.120 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CC(C)C)c2cccc(O)c2)c1C#N ZINC000471211339 885784614 /nfs/dbraw/zinc/78/46/14/885784614.db2.gz IVONIHAQDLYIJX-UHFFFAOYSA-N 0 0 420.513 4.425 20 30 HIEDRN C=CCn1c(SCCN(C)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000471214067 885788577 /nfs/dbraw/zinc/78/85/77/885788577.db2.gz YWLFBNSAGAGQEO-FQEVSTJZSA-N 0 0 408.527 4.205 20 30 HIEDRN N#Cc1cc(NC(=O)CCc2nnc(C3CCCC3)o2)ccc1OCC(F)(F)F ZINC000471225981 885800327 /nfs/dbraw/zinc/80/03/27/885800327.db2.gz IYHZKDXCJFYBEK-UHFFFAOYSA-N 0 0 408.380 4.111 20 30 HIEDRN Cc1cc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)nn1-c1cccc(C#N)c1 ZINC000504073905 912976474 /nfs/dbraw/zinc/97/64/74/912976474.db2.gz HUTWIAAOTVGCOP-UHFFFAOYSA-N 0 0 421.888 4.096 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1C ZINC000471261509 885840942 /nfs/dbraw/zinc/84/09/42/885840942.db2.gz SCHNGKYLBUJQCI-LJQANCHMSA-N 0 0 419.529 4.164 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)C2)n1 ZINC000471263212 885842507 /nfs/dbraw/zinc/84/25/07/885842507.db2.gz YQYBALXDDHXKSV-GHTZIAJQSA-N 0 0 406.530 4.143 20 30 HIEDRN COc1ccccc1-c1csc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)n1 ZINC000504074411 912978914 /nfs/dbraw/zinc/97/89/14/912978914.db2.gz VZFTZKJQGNRTRQ-UHFFFAOYSA-N 0 0 415.478 4.437 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3F)C2)c(F)c1 ZINC000471268451 885847164 /nfs/dbraw/zinc/84/71/64/885847164.db2.gz ALEXMNDHMUPTFW-AWEZNQCLSA-N 0 0 409.358 4.254 20 30 HIEDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(Br)s1 ZINC000471270756 885848443 /nfs/dbraw/zinc/84/84/43/885848443.db2.gz URVDFFHQJGDCQJ-CYBMUJFWSA-N 0 0 422.323 4.229 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)cc2F)c1 ZINC000471272844 885851677 /nfs/dbraw/zinc/85/16/77/885851677.db2.gz MJJBPTNJWGHIIL-GMAHTHKFSA-N 0 0 417.440 4.056 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2F)c1 ZINC000471272842 885852010 /nfs/dbraw/zinc/85/20/10/885852010.db2.gz MJJBPTNJWGHIIL-FYYLOGMGSA-N 0 0 417.440 4.056 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3Cl)C2)n1 ZINC000471284135 885866541 /nfs/dbraw/zinc/86/65/41/885866541.db2.gz XECARBQJXQTVPO-QGZVFWFLSA-N 0 0 417.340 4.144 20 30 HIEDRN C=CCN(Cc1ncc(C(C)(C)C)o1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000471299785 885888640 /nfs/dbraw/zinc/88/86/40/885888640.db2.gz DDPYMYLUVOHIDV-UHFFFAOYSA-N 0 0 402.438 4.368 20 30 HIEDRN CCN(C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)[C@@H](C)c1cccc(OC)c1 ZINC000471299565 885888649 /nfs/dbraw/zinc/88/86/49/885888649.db2.gz DTWDZWXWAANHOA-GHTZIAJQSA-N 0 0 406.530 4.096 20 30 HIEDRN C=CCNC(=O)COc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000471300977 885890105 /nfs/dbraw/zinc/89/01/05/885890105.db2.gz RBXXRTZGIVQOLE-UHFFFAOYSA-N 0 0 412.795 4.292 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)C2)n1 ZINC000471301842 885890956 /nfs/dbraw/zinc/89/09/56/885890956.db2.gz SNRXOLBZEVOCLJ-PXNSSMCTSA-N 0 0 402.498 4.444 20 30 HIEDRN CCCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000471302863 885891073 /nfs/dbraw/zinc/89/10/73/885891073.db2.gz DPBCNWKIMQDFQT-NQIIRXRSSA-N 0 0 406.530 4.144 20 30 HIEDRN Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)C2)c(C)c1 ZINC000471320665 885910762 /nfs/dbraw/zinc/91/07/62/885910762.db2.gz DOICTDWWZPVTJN-FCHUYYIVSA-N 0 0 402.542 4.111 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(F)cc3Br)C2)n1 ZINC000471339400 885944204 /nfs/dbraw/zinc/94/42/04/885944204.db2.gz CISLKQLYCAAMJR-CQSZACIVSA-N 0 0 417.282 4.018 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc4oc(C5CC5)nc4c3)C2)n1 ZINC000471345213 885956033 /nfs/dbraw/zinc/95/60/33/885956033.db2.gz IGXRJYLMJJWBIW-QGZVFWFLSA-N 0 0 401.470 4.135 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCCC[C@@H]3c3ccncc3)C2)n1 ZINC000471349038 885960463 /nfs/dbraw/zinc/96/04/63/885960463.db2.gz TXJMKWXBQRJZKN-FGZHOGPDSA-N 0 0 403.530 4.017 20 30 HIEDRN Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000471362316 885989481 /nfs/dbraw/zinc/98/94/81/885989481.db2.gz NLLFRNKSROKMAL-GOSISDBHSA-N 0 0 423.473 4.130 20 30 HIEDRN Cc1nnc(-c2cc(F)ccc2NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1 ZINC000471362669 885992085 /nfs/dbraw/zinc/99/20/85/885992085.db2.gz PJRWZISZXWCLGW-UHFFFAOYSA-N 0 0 415.384 4.495 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3cccc(Cl)c3Cl)C2)n1 ZINC000471364795 885996598 /nfs/dbraw/zinc/99/65/98/885996598.db2.gz CDTPFJCVHLEUQU-QGZVFWFLSA-N 0 0 417.340 4.444 20 30 HIEDRN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000471371588 886009683 /nfs/dbraw/zinc/00/96/83/886009683.db2.gz YBIDAXRKUKSPLV-RXVVDRJESA-N 0 0 405.502 4.392 20 30 HIEDRN CC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)(C)c1ccccc1 ZINC000471403726 886053594 /nfs/dbraw/zinc/05/35/94/886053594.db2.gz DIUBRSCGOQFXEQ-RBBKRZOGSA-N 0 0 404.558 4.351 20 30 HIEDRN Cc1ccc(-c2nnc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s2)c(C)c1 ZINC000504092019 913001980 /nfs/dbraw/zinc/00/19/80/913001980.db2.gz USXGPTWGPHBDSL-HXUWFJFHSA-N 0 0 400.504 4.022 20 30 HIEDRN Cc1ccc(-c2nnc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s2)c(C)c1 ZINC000504092018 913002715 /nfs/dbraw/zinc/00/27/15/913002715.db2.gz USXGPTWGPHBDSL-FQEVSTJZSA-N 0 0 400.504 4.022 20 30 HIEDRN N#CCCN(CCN1CCOCC1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000471420933 886076223 /nfs/dbraw/zinc/07/62/23/886076223.db2.gz YILCGARPVNNTAV-UHFFFAOYSA-N 0 0 412.921 4.087 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@@H]3C)C2)n1 ZINC000471425966 886082341 /nfs/dbraw/zinc/08/23/41/886082341.db2.gz CEJRPYNNVVAURS-CQIJRDABSA-N 0 0 402.542 4.271 20 30 HIEDRN COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471449880 886123961 /nfs/dbraw/zinc/12/39/61/886123961.db2.gz HCHAZUROVVFDIK-IFMALSPDSA-N 0 0 420.557 4.390 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000471464378 886148374 /nfs/dbraw/zinc/14/83/74/886148374.db2.gz HYTOOKFEBNAXEC-LEWJYISDSA-N 0 0 416.481 4.034 20 30 HIEDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2C#Cc2ccccc2)no1 ZINC000471509470 886211149 /nfs/dbraw/zinc/21/11/49/886211149.db2.gz XRDKMMJTNHVFBE-KRWDZBQOSA-N 0 0 419.506 4.082 20 30 HIEDRN COc1ccccc1CN(Cc1cccs1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000471557525 886266427 /nfs/dbraw/zinc/26/64/27/886266427.db2.gz XOOPBTWPZCAFHZ-UHFFFAOYSA-N 0 0 421.522 4.419 20 30 HIEDRN Cc1ccc(-c2noc([C@H](C)NC(=O)Nc3cc(C#N)cn3C(C)(C)C)n2)cc1F ZINC000471594667 886306049 /nfs/dbraw/zinc/30/60/49/886306049.db2.gz QXPKDWMWXSDFSL-ZDUSSCGKSA-N 0 0 410.453 4.495 20 30 HIEDRN COCCOc1ccc(C(F)(F)F)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000471619305 886335245 /nfs/dbraw/zinc/33/52/45/886335245.db2.gz NYRUHHPMDFTFJW-UHFFFAOYSA-N 0 0 418.375 4.264 20 30 HIEDRN N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3OC[C@@H]3CCCO3)o2)c1 ZINC000471623865 886340827 /nfs/dbraw/zinc/34/08/27/886340827.db2.gz DNNUTCVCJMMBCY-KRWDZBQOSA-N 0 0 410.861 4.432 20 30 HIEDRN CC1CCN(C(=O)c2ccccc2NCc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000471623265 886340939 /nfs/dbraw/zinc/34/09/39/886340939.db2.gz ZJIPZQOGXSOIMM-UHFFFAOYSA-N 0 0 401.470 4.092 20 30 HIEDRN COc1ccc([C@@H](C#N)N2CCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)cc1 ZINC000471625489 886342843 /nfs/dbraw/zinc/34/28/43/886342843.db2.gz LRPAOVHCOGACHI-HSZRJFAPSA-N 0 0 419.456 4.117 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccco3)Cc3ccccc3)C2)n1 ZINC000471630657 886347906 /nfs/dbraw/zinc/34/79/06/886347906.db2.gz BVRCZCGVEGIKDL-QFIPXVFZSA-N 0 0 414.509 4.300 20 30 HIEDRN Cc1nc(-c2ccc(CCNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)s2)cs1 ZINC000471650077 886365682 /nfs/dbraw/zinc/36/56/82/886365682.db2.gz RYJTWAGLIXZELE-KRWDZBQOSA-N 0 0 406.536 4.093 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](C)Sc4ccccc43)C2)n1 ZINC000471650211 886366684 /nfs/dbraw/zinc/36/66/84/886366684.db2.gz VPUJLDXQTJWJCJ-MJGOQNOKSA-N 0 0 406.555 4.396 20 30 HIEDRN C=CCCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC000471702004 886408991 /nfs/dbraw/zinc/40/89/91/886408991.db2.gz LMVMYPQDZGGZSY-UHFFFAOYSA-N 0 0 417.229 4.135 20 30 HIEDRN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000504152047 913047823 /nfs/dbraw/zinc/04/78/23/913047823.db2.gz UFUSOHOUPTYPRT-BDJLRTHQSA-N 0 0 409.795 4.228 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 ZINC000471791075 886526061 /nfs/dbraw/zinc/52/60/61/886526061.db2.gz HOTGTEOZBQFKMZ-UHFFFAOYSA-N 0 0 421.566 4.347 20 30 HIEDRN C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471794140 886531065 /nfs/dbraw/zinc/53/10/65/886531065.db2.gz QXNTZTSSIMWDDG-SNVBAGLBSA-N 0 0 414.270 4.155 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)C2=O)cc1 ZINC000504168082 913056189 /nfs/dbraw/zinc/05/61/89/913056189.db2.gz VBXNHDJFZKEDOY-VXNXHJTFSA-N 0 0 409.489 4.127 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)Cc3csc4ccccc34)C2)n1 ZINC000471826553 886575198 /nfs/dbraw/zinc/57/51/98/886575198.db2.gz XLOXOICHPOCEJL-SFHVURJKSA-N 0 0 404.539 4.351 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000471838866 886597848 /nfs/dbraw/zinc/59/78/48/886597848.db2.gz MWKALJUWJMNJQU-LJQANCHMSA-N 0 0 417.513 4.353 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccnc(-c4ccccc4)c3)CC2)c(F)c1 ZINC000504177012 913061296 /nfs/dbraw/zinc/06/12/96/913061296.db2.gz OMCWCVHMLOEJDS-UHFFFAOYSA-N 0 0 401.445 4.113 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3F)C2)n1 ZINC000471859465 886632073 /nfs/dbraw/zinc/63/20/73/886632073.db2.gz BEMSDWNPCXMAGY-AWEZNQCLSA-N 0 0 406.383 4.275 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)C2)n1 ZINC000471885057 886666416 /nfs/dbraw/zinc/66/64/16/886666416.db2.gz OKRGYFWXJFYRHT-IFMALSPDSA-N 0 0 406.505 4.275 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H](c3ccccc3)C(F)(F)F)C2)n1 ZINC000471890474 886671952 /nfs/dbraw/zinc/67/19/52/886671952.db2.gz XZGBWFRSOQASND-RTBURBONSA-N 0 0 416.447 4.240 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)n1 ZINC000471904346 886686788 /nfs/dbraw/zinc/68/67/88/886686788.db2.gz CBMVRVXMOBJULW-APWZRJJASA-N 0 0 419.554 4.369 20 30 HIEDRN COc1ccc(N(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C(C)C)cc1F ZINC000471913151 886699483 /nfs/dbraw/zinc/69/94/83/886699483.db2.gz YXUJHLPMFOOCSP-SFHVURJKSA-N 0 0 410.493 4.067 20 30 HIEDRN COc1cc2nc(C)sc2cc1NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471923862 886714045 /nfs/dbraw/zinc/71/40/45/886714045.db2.gz KFYDCARFZHLWCU-INIZCTEOSA-N 0 0 421.526 4.044 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(CC(F)(F)F)c3ccccc3)C2)n1 ZINC000471930907 886724172 /nfs/dbraw/zinc/72/41/72/886724172.db2.gz YPZWLFWBJJGUKC-QGZVFWFLSA-N 0 0 402.420 4.074 20 30 HIEDRN N#C[C@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CCc2ccccc2C1 ZINC000471939121 886738918 /nfs/dbraw/zinc/73/89/18/886738918.db2.gz BQYKJPFBAKPCGE-KRWDZBQOSA-N 0 0 414.836 4.088 20 30 HIEDRN CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1Cl ZINC000471971663 886802741 /nfs/dbraw/zinc/80/27/41/886802741.db2.gz BWFKPGDQCVPSCB-FUHWJXTLSA-N 0 0 417.918 4.047 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC(Cc4ccc(F)cc4)CC3)C2)n1 ZINC000471972542 886803729 /nfs/dbraw/zinc/80/37/29/886803729.db2.gz HQOKRAJSYAKZPU-JOCHJYFZSA-N 0 0 420.532 4.099 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471983964 886811955 /nfs/dbraw/zinc/81/19/55/886811955.db2.gz DQHYEVMYEHWEFW-UXHICEINSA-N 0 0 402.420 4.321 20 30 HIEDRN Cn1c(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)nnc1-c1ccc(Cl)cc1 ZINC000471991229 886817287 /nfs/dbraw/zinc/81/72/87/886817287.db2.gz HVWGPHDPXSXQSE-UHFFFAOYSA-N 0 0 424.295 4.458 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000472018625 886841097 /nfs/dbraw/zinc/84/10/97/886841097.db2.gz NTVFFXNHBGRFBV-DEOSSOPVSA-N 0 0 400.434 4.002 20 30 HIEDRN O=C(NCCc1ccccc1OC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000472046880 886862190 /nfs/dbraw/zinc/86/21/90/886862190.db2.gz HJPFGQGNDMPLER-UHFFFAOYSA-N 0 0 420.300 4.357 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)o1 ZINC000472085256 886885647 /nfs/dbraw/zinc/88/56/47/886885647.db2.gz LEXPJWBPURXAHZ-INIZCTEOSA-N 0 0 411.508 4.117 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)C1CCC(O)CC1)c1ccc2c(c1)OCCO2 ZINC000472087588 886886765 /nfs/dbraw/zinc/88/67/65/886886765.db2.gz IKERHMBZFYTTFO-UHFFFAOYSA-N 0 0 423.509 4.107 20 30 HIEDRN CC(C)[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000472119119 886905237 /nfs/dbraw/zinc/90/52/37/886905237.db2.gz AUGDMVGATQSJIX-SFHVURJKSA-N 0 0 407.879 4.138 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H]3Cc3ccccc3C)C2)n1 ZINC000472165434 886964972 /nfs/dbraw/zinc/96/49/72/886964972.db2.gz YMQRSOHICBCHNJ-GOTSBHOMSA-N 0 0 402.542 4.020 20 30 HIEDRN Cc1ccc([C@H]2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)c(C)c1 ZINC000472174944 886974638 /nfs/dbraw/zinc/97/46/38/886974638.db2.gz REDCFSLBXANSPJ-HWELCPFYSA-N 0 0 418.541 4.459 20 30 HIEDRN CCCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000472209278 887010746 /nfs/dbraw/zinc/01/07/46/887010746.db2.gz GHWPUQYPZPSASE-AWEZNQCLSA-N 0 0 404.413 4.032 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000472220704 887024810 /nfs/dbraw/zinc/02/48/10/887024810.db2.gz FTZNIZIWKCFAGH-SFHVURJKSA-N 0 0 411.427 4.497 20 30 HIEDRN C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000472284368 887102229 /nfs/dbraw/zinc/10/22/29/887102229.db2.gz HIOWVNAGQOLTFE-XOBRGWDASA-N 0 0 415.356 4.497 20 30 HIEDRN CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000472285905 887103678 /nfs/dbraw/zinc/10/36/78/887103678.db2.gz QPRIWXJNOMELIK-RUZDIDTESA-N 0 0 403.526 4.171 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472284982 887103741 /nfs/dbraw/zinc/10/37/41/887103741.db2.gz NKIZHYZDBAXYOG-QFIPXVFZSA-N 0 0 420.900 4.163 20 30 HIEDRN N#C[C@]1(NC(=O)Cc2cc(Cl)ccc2Br)CCc2ccccc2C1 ZINC000472286593 887105941 /nfs/dbraw/zinc/10/59/41/887105941.db2.gz JTPLCGPGNVUCMY-IBGZPJMESA-N 0 0 403.707 4.212 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)NCCCCn1cc(Br)cn1 ZINC000472315287 887146024 /nfs/dbraw/zinc/14/60/24/887146024.db2.gz IRQNCOCDZTUPIQ-UHFFFAOYSA-N 0 0 405.340 4.214 20 30 HIEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000472321694 887155692 /nfs/dbraw/zinc/15/56/92/887155692.db2.gz QRTJAQPUOVXRKP-KAUXGEHWSA-N 0 0 411.483 4.113 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000472375173 887214820 /nfs/dbraw/zinc/21/48/20/887214820.db2.gz LKJAHXMJHSOIRG-ZEQRLZLVSA-N 0 0 402.542 4.384 20 30 HIEDRN CC(C)(C#N)CCCN1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000472435822 887284262 /nfs/dbraw/zinc/28/42/62/887284262.db2.gz GPTUFADJJIWKTA-UHFFFAOYSA-N 0 0 405.542 4.353 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000472437722 887285545 /nfs/dbraw/zinc/28/55/45/887285545.db2.gz MYHMGFTVQQORNO-HNNXBMFYSA-N 0 0 410.449 4.309 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)NCCc3ccccc3OC(F)F)cc2)nc1 ZINC000472441120 887290840 /nfs/dbraw/zinc/29/08/40/887290840.db2.gz XLLPJMQMVFZTQG-UHFFFAOYSA-N 0 0 409.392 4.319 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000504278491 913133226 /nfs/dbraw/zinc/13/32/26/913133226.db2.gz CQYPCVUHJFYFCQ-UHFFFAOYSA-N 0 0 424.400 4.391 20 30 HIEDRN COCCOc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(Cl)c1 ZINC000472521413 887390924 /nfs/dbraw/zinc/39/09/24/887390924.db2.gz PFWZFFYWYNTVIW-UHFFFAOYSA-N 0 0 406.869 4.412 20 30 HIEDRN Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)c21 ZINC000472529784 887401822 /nfs/dbraw/zinc/40/18/22/887401822.db2.gz QKYPVSYBTXLWFU-UHFFFAOYSA-N 0 0 424.460 4.206 20 30 HIEDRN Cc1ccc(-c2noc([C@@H](C)NC(=O)CCCCOc3cccc(C#N)c3)n2)cc1F ZINC000472549966 887431245 /nfs/dbraw/zinc/43/12/45/887431245.db2.gz UEGNXEVBNZKMMX-MRXNPFEDSA-N 0 0 422.460 4.482 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000472568810 887455281 /nfs/dbraw/zinc/45/52/81/887455281.db2.gz XJVUTYQIYSWAFJ-UHFFFAOYSA-N 0 0 403.869 4.476 20 30 HIEDRN C[C@@H]1CN(CC#CCN2C[C@H](C)O[C@@H](c3ccsc3)C2)C[C@@H](c2ccsc2)O1 ZINC000472577145 887460046 /nfs/dbraw/zinc/46/00/46/887460046.db2.gz AKHWVDKVZXKRMZ-MTIDIVMFSA-N 0 0 416.612 4.037 20 30 HIEDRN N#Cc1ccc(CNS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cc1 ZINC000472594696 887468759 /nfs/dbraw/zinc/46/87/59/887468759.db2.gz CWWCIKKTDQQVBI-UHFFFAOYSA-N 0 0 420.115 4.106 20 30 HIEDRN Cc1oc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c(C#N)c1C ZINC000472595198 887469466 /nfs/dbraw/zinc/46/94/66/887469466.db2.gz GTLMZTVXFSDPHP-FQEVSTJZSA-N 0 0 403.486 4.324 20 30 HIEDRN N#CC(CCN1CCC[C@H]1C(=O)NCc1ccco1)(c1ccccc1)c1ccccc1 ZINC000472607949 887478453 /nfs/dbraw/zinc/47/84/53/887478453.db2.gz XYGQUXGTANSNDQ-DEOSSOPVSA-N 0 0 413.521 4.260 20 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/nfs/dbraw/zinc/73/12/37/887731237.db2.gz MBINMFFEDPOJSW-UHFFFAOYSA-N 0 0 420.387 4.170 20 30 HIEDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000472930567 887779512 /nfs/dbraw/zinc/77/95/12/887779512.db2.gz RFEAXSJGDDXRGQ-ACJLOTCBSA-N 0 0 417.387 4.088 20 30 HIEDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000472930573 887779710 /nfs/dbraw/zinc/77/97/10/887779710.db2.gz RFEAXSJGDDXRGQ-UGSOOPFHSA-N 0 0 417.387 4.088 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc4c(ccc5ccccc45)s3)CC2)o1 ZINC000472933814 887783798 /nfs/dbraw/zinc/78/37/98/887783798.db2.gz WZZXOPMNLNJSAH-UHFFFAOYSA-N 0 0 417.494 4.473 20 30 HIEDRN CSc1ccccc1CN(C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000472956900 887805672 /nfs/dbraw/zinc/80/56/72/887805672.db2.gz VZMVDYHGIPGBJW-OAHLLOKOSA-N 0 0 413.568 4.257 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000504351806 913185621 /nfs/dbraw/zinc/18/56/21/913185621.db2.gz NSYJZGSUSYDIOS-UNMCSNQZSA-N 0 0 410.489 4.262 20 30 HIEDRN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000473059790 887880342 /nfs/dbraw/zinc/88/03/42/887880342.db2.gz QYAGYMCXTYDHTH-UHFFFAOYSA-N 0 0 406.383 4.379 20 30 HIEDRN CC(C)(C)N1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1=O ZINC000473081684 887897591 /nfs/dbraw/zinc/89/75/91/887897591.db2.gz OZYNUMPUGAWCBW-MRXNPFEDSA-N 0 0 410.449 4.011 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000473156834 887935742 /nfs/dbraw/zinc/93/57/42/887935742.db2.gz AIOMULXXLDHHTH-GAJHUEQPSA-N 0 0 407.539 4.008 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3cccs3)C2)cc1C ZINC000473188372 887968926 /nfs/dbraw/zinc/96/89/26/887968926.db2.gz SZAHXDZKQNLIRS-FQEVSTJZSA-N 0 0 420.538 4.356 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2OC)c1 ZINC000473209723 887984961 /nfs/dbraw/zinc/98/49/61/887984961.db2.gz QVQSFVXEDRLTRE-NRFANRHFSA-N 0 0 410.514 4.492 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2OC)c1 ZINC000473209724 887985074 /nfs/dbraw/zinc/98/50/74/887985074.db2.gz QVQSFVXEDRLTRE-OAQYLSRUSA-N 0 0 410.514 4.492 20 30 HIEDRN C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@H]1c1cccc(F)c1 ZINC000473210594 887986594 /nfs/dbraw/zinc/98/65/94/887986594.db2.gz ZFPIYGDPBAAGSR-FOIQADDNSA-N 0 0 411.502 4.380 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000473254141 888018942 /nfs/dbraw/zinc/01/89/42/888018942.db2.gz IPKVJMXOEAWIOU-QGZVFWFLSA-N 0 0 403.376 4.000 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000473338748 888072886 /nfs/dbraw/zinc/07/28/86/888072886.db2.gz IZYCNRIUUWUVRD-UHFFFAOYSA-N 0 0 422.529 4.456 20 30 HIEDRN Cc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)nn1CCCOc1ccc(F)cc1 ZINC000504386754 913210102 /nfs/dbraw/zinc/21/01/02/913210102.db2.gz CBAXXVGZFVBYNO-KRWDZBQOSA-N 0 0 421.476 4.111 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1c(F)cccc1F ZINC000473381867 888096828 /nfs/dbraw/zinc/09/68/28/888096828.db2.gz YSGZUSPZLKXVHA-CQSZACIVSA-N 0 0 421.403 4.445 20 30 HIEDRN CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc1 ZINC000473390100 888103788 /nfs/dbraw/zinc/10/37/88/888103788.db2.gz QNSVRLHDPIMYIW-WZONZLPQSA-N 0 0 403.526 4.125 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCSC[C@@H]1c1nccs1 ZINC000473439547 888160922 /nfs/dbraw/zinc/16/09/22/888160922.db2.gz GHYRZCFPARLWIH-GOEBONIOSA-N 0 0 418.613 4.266 20 30 HIEDRN CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1 ZINC000473485609 888206573 /nfs/dbraw/zinc/20/65/73/888206573.db2.gz AJATYVMLHRTYKV-INIZCTEOSA-N 0 0 403.873 4.465 20 30 HIEDRN COC(=O)Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000473494082 888214199 /nfs/dbraw/zinc/21/41/99/888214199.db2.gz WITDIXRMGMAQTO-UHFFFAOYSA-N 0 0 400.434 4.105 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(=O)[nH]c(C4CC4)c3)c2)c1 ZINC000473506700 888233578 /nfs/dbraw/zinc/23/35/78/888233578.db2.gz NGNKXZTUOBOGTQ-UHFFFAOYSA-N 0 0 412.445 4.103 20 30 HIEDRN CCCOc1ccc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C)c1 ZINC000473519050 888251992 /nfs/dbraw/zinc/25/19/92/888251992.db2.gz BFPJMUPOQUSRCW-UHFFFAOYSA-N 0 0 422.529 4.240 20 30 HIEDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000473536751 888275039 /nfs/dbraw/zinc/27/50/39/888275039.db2.gz YJGHFMDGCRKVNV-DFYVNMARSA-N 0 0 419.506 4.316 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc([C@H]3CCCOC3)c2)CC1 ZINC000473558726 888297964 /nfs/dbraw/zinc/29/79/64/888297964.db2.gz AYAUMICRTAYFOK-JTHBVZDNSA-N 0 0 423.944 4.257 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc([C@@H]3CCCOC3)c2)CC1 ZINC000473558723 888298262 /nfs/dbraw/zinc/29/82/62/888298262.db2.gz AYAUMICRTAYFOK-FYYLOGMGSA-N 0 0 423.944 4.257 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000473560373 888300094 /nfs/dbraw/zinc/30/00/94/888300094.db2.gz DSFNXIDDTBPLRB-SOLBZPMBSA-N 0 0 413.871 4.418 20 30 HIEDRN CCC(CC)n1ncc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000473561550 888301729 /nfs/dbraw/zinc/30/17/29/888301729.db2.gz NKBQIQIRCMOLKW-NRFANRHFSA-N 0 0 413.953 4.229 20 30 HIEDRN C[C@@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 ZINC000473564115 888304147 /nfs/dbraw/zinc/30/41/47/888304147.db2.gz SSKDWHXVXAXZOE-VLIAUNLRSA-N 0 0 403.860 4.131 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000473564652 888306245 /nfs/dbraw/zinc/30/62/45/888306245.db2.gz YDUMPQZJBHWCCW-QFIPXVFZSA-N 0 0 422.891 4.497 20 30 HIEDRN CCOc1ccc(CCC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000473574925 888315762 /nfs/dbraw/zinc/31/57/62/888315762.db2.gz YSDNHKWVCWQWGY-QFIPXVFZSA-N 0 0 411.933 4.080 20 30 HIEDRN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccn(C3CCCCC3)n2)CC1 ZINC000473581875 888323510 /nfs/dbraw/zinc/32/35/10/888323510.db2.gz JHTJPXZBARFBQZ-NRFANRHFSA-N 0 0 411.937 4.064 20 30 HIEDRN COc1ccc2c(CC(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)coc2c1 ZINC000473582562 888323819 /nfs/dbraw/zinc/32/38/19/888323819.db2.gz 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COc1ccc(COc2ccc(Oc3ncc(Br)cn3)cc2)cc1C#N ZINC000473668012 888425937 /nfs/dbraw/zinc/42/59/37/888425937.db2.gz WIPKHYCKLAPYOU-UHFFFAOYSA-N 0 0 412.243 4.491 20 30 HIEDRN N#Cc1ccc(C2(C(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000473684207 888454859 /nfs/dbraw/zinc/45/48/59/888454859.db2.gz TYDUZNDPZXPTLZ-LJQANCHMSA-N 0 0 401.293 4.497 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCCC(F)(F)C3)cc2)cc1 ZINC000504442727 913252595 /nfs/dbraw/zinc/25/25/95/913252595.db2.gz OBTXOAKXYOKGPE-INIZCTEOSA-N 0 0 413.424 4.231 20 30 HIEDRN C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000504434800 913246944 /nfs/dbraw/zinc/24/69/44/913246944.db2.gz OQKPPJPMCRABBF-FQEVSTJZSA-N 0 0 417.553 4.210 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000504440237 913249784 /nfs/dbraw/zinc/24/97/84/913249784.db2.gz ATKGWMLMJGTXOE-IEBWSBKVSA-N 0 0 409.534 4.296 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000473722694 888499671 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C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000475473605 890381617 /nfs/dbraw/zinc/38/16/17/890381617.db2.gz SALHEJLDHMQKGC-UHFFFAOYSA-N 0 0 402.267 4.222 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCN(c3ccccc3)[C@@H]2C)c1C#N ZINC000475473033 890382003 /nfs/dbraw/zinc/38/20/03/890382003.db2.gz QYVQXAWRCRJISB-APWZRJJASA-N 0 0 417.538 4.319 20 30 HIEDRN N#Cc1c(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)nc2n1CCS2 ZINC000475504506 890416647 /nfs/dbraw/zinc/41/66/47/890416647.db2.gz SGKMEFQWRPNAFV-UHFFFAOYSA-N 0 0 404.373 4.392 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000475530814 890455866 /nfs/dbraw/zinc/45/58/66/890455866.db2.gz OPNZRPIABNERBT-HNNXBMFYSA-N 0 0 403.916 4.347 20 30 HIEDRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475539547 890464208 /nfs/dbraw/zinc/46/42/08/890464208.db2.gz XZZCUFOWOIKYIT-GOSISDBHSA-N 0 0 418.541 4.235 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475567671 890498119 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COCCOc1ccc(C#N)cc1NC(=O)c1ccc(OC)cc1OC1CCCC1 ZINC000485689408 900940398 /nfs/dbraw/zinc/94/03/98/900940398.db2.gz DNABDRAORNFAIP-UHFFFAOYSA-N 0 0 410.470 4.166 20 30 HIEDRN CCOc1ccc(-c2noc(CCC(=O)N[C@H](C#N)c3ccc(Cl)cc3)n2)cc1 ZINC000505838756 914491355 /nfs/dbraw/zinc/49/13/55/914491355.db2.gz OKQNPGUPDVQYMV-GOSISDBHSA-N 0 0 410.861 4.102 20 30 HIEDRN C=C[C@H](CC(=O)N1CCOC[C@@H]1c1c(C)nn(CC(F)(F)F)c1C)c1ccccc1 ZINC000505840915 914492663 /nfs/dbraw/zinc/49/26/63/914492663.db2.gz RUZRPYXVUAWCGC-IEBWSBKVSA-N 0 0 421.463 4.322 20 30 HIEDRN C=CCOc1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1Cl ZINC000485724097 900974073 /nfs/dbraw/zinc/97/40/73/900974073.db2.gz KBTSNFGLWKIWCC-UHFFFAOYSA-N 0 0 418.872 4.097 20 30 HIEDRN C=CCSc1ccccc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000485755472 901011715 /nfs/dbraw/zinc/01/17/15/901011715.db2.gz OFBCKPJWDAEGRQ-GJZGRUSLSA-N 0 0 403.573 4.283 20 30 HIEDRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c2)n1 ZINC000485791786 901044217 /nfs/dbraw/zinc/04/42/17/901044217.db2.gz VXNWMNGHAFZRTM-JOCHJYFZSA-N 0 0 416.481 4.325 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(c2ccccc2)[C@@H]2CCOC2)nnc1-c1ccco1 ZINC000485817527 901066352 /nfs/dbraw/zinc/06/63/52/901066352.db2.gz PHWPBNZSPWZMCW-GOSISDBHSA-N 0 0 424.526 4.028 20 30 HIEDRN CN(Cc1csc(Br)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485817089 901066383 /nfs/dbraw/zinc/06/63/83/901066383.db2.gz PZNFIJWQRITBSI-INIZCTEOSA-N 0 0 404.333 4.010 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(Br)c2C)no1 ZINC000485854230 901097451 /nfs/dbraw/zinc/09/74/51/901097451.db2.gz VSJUKGWFBMGEST-UHFFFAOYSA-N 0 0 413.275 4.182 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CN1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000485859826 901101927 /nfs/dbraw/zinc/10/19/27/901101927.db2.gz DDLZORLCCJBDSJ-UHFFFAOYSA-N 0 0 412.946 4.383 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000512383856 921120666 /nfs/dbraw/zinc/12/06/66/921120666.db2.gz GMADLFPOPILMIG-BEFAXECRSA-N 0 0 403.507 4.001 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cnc(-c4ccsc4)s3)C2)c(F)c1 ZINC000485971789 901189402 /nfs/dbraw/zinc/18/94/02/901189402.db2.gz BGGGRDVZEDVIKI-OAHLLOKOSA-N 0 0 412.515 4.281 20 30 HIEDRN CC(C)(C)OCc1cc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)no1 ZINC000486052912 901249999 /nfs/dbraw/zinc/24/99/99/901249999.db2.gz KJROAELCWPPAIR-UHFFFAOYSA-N 0 0 402.401 4.045 20 30 HIEDRN N#CCn1c(/C=C\c2ccc(OCCN3CCOCC3)c(Cl)c2)nc2ccccc21 ZINC000486080796 901271842 /nfs/dbraw/zinc/27/18/42/901271842.db2.gz WZZQEOJAWFBUOD-VURMDHGXSA-N 0 0 422.916 4.095 20 30 HIEDRN O=C1[C@@H](N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)CCN1CC(F)(F)F ZINC000505875151 914521924 /nfs/dbraw/zinc/52/19/24/914521924.db2.gz SKXMMKQUWFIRHH-QWRGUYRKSA-N 0 0 408.264 4.062 20 30 HIEDRN COc1cc(C#N)cc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 ZINC000486111771 901297309 /nfs/dbraw/zinc/29/73/09/901297309.db2.gz XELCGSMAHJCHMU-SFHVURJKSA-N 0 0 423.519 4.447 20 30 HIEDRN C[C@H]1Cc2c(cccc2NC(=O)c2ccc(C#N)cc2)CN1C(=O)c1ccc(C#N)cc1 ZINC000486112107 901297461 /nfs/dbraw/zinc/29/74/61/901297461.db2.gz YUCGSKVEGJJFML-KRWDZBQOSA-N 0 0 420.472 4.269 20 30 HIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000486125094 901312642 /nfs/dbraw/zinc/31/26/42/901312642.db2.gz ROAJAKKLWUPAAS-HNNXBMFYSA-N 0 0 421.129 4.388 20 30 HIEDRN Cc1nc(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)sc1SCC#N ZINC000486135239 901323802 /nfs/dbraw/zinc/32/38/02/901323802.db2.gz IACRXMMCJJQVNI-UHFFFAOYSA-N 0 0 421.454 4.311 20 30 HIEDRN COc1cc(NC(=O)c2ccc(C#N)s2)c(Br)cc1Br ZINC000486137679 901325073 /nfs/dbraw/zinc/32/50/73/901325073.db2.gz NMMQXSIMHMGWIT-UHFFFAOYSA-N 0 0 416.094 4.406 20 30 HIEDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)CSc3ccc(C#N)cc3)C2)cc1 ZINC000486179412 901365835 /nfs/dbraw/zinc/36/58/35/901365835.db2.gz PGXCIELJGVYMLH-LJQANCHMSA-N 0 0 422.554 4.019 20 30 HIEDRN N#CCCN(C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc2c(c1)OCCO2 ZINC000486221103 901403978 /nfs/dbraw/zinc/40/39/78/901403978.db2.gz LSAQFSIAFMZFDR-UHFFFAOYSA-N 0 0 424.460 4.357 20 30 HIEDRN CCC1CCC(N(CCO)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000486228198 901411352 /nfs/dbraw/zinc/41/13/52/901411352.db2.gz GZZDOLZSUGMTKT-UHFFFAOYSA-N 0 0 413.440 4.294 20 30 HIEDRN C=CCSc1ccccc1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000486235970 901417666 /nfs/dbraw/zinc/41/76/66/901417666.db2.gz SKLPUGIRFXDGFK-UHFFFAOYSA-N 0 0 419.344 4.404 20 30 HIEDRN Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 ZINC000486238131 901420781 /nfs/dbraw/zinc/42/07/81/901420781.db2.gz ZRHXTHPTZPWYRF-IBGZPJMESA-N 0 0 422.598 4.316 20 30 HIEDRN C[C@H]1CC[C@@H](N(CCO)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000486247038 901429696 /nfs/dbraw/zinc/42/96/96/901429696.db2.gz XNAFQYUKVRAOJR-PGRDOPGGSA-N 0 0 407.514 4.346 20 30 HIEDRN C=CCSc1ccccc1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000486251994 901434561 /nfs/dbraw/zinc/43/45/61/901434561.db2.gz NZDBSNWKOWOWKN-UHFFFAOYSA-N 0 0 419.344 4.404 20 30 HIEDRN C=CCSc1ccccc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000486252623 901436351 /nfs/dbraw/zinc/43/63/51/901436351.db2.gz OLOXIQZOAAHTBV-GOSISDBHSA-N 0 0 400.931 4.496 20 30 HIEDRN COc1ccc(-c2nc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000486265947 901448559 /nfs/dbraw/zinc/44/85/59/901448559.db2.gz AOCVPLLXAHEOTM-UHFFFAOYSA-N 0 0 421.478 4.150 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000505895493 914537301 /nfs/dbraw/zinc/53/73/01/914537301.db2.gz XLIFPCKNFQUUTK-UHFFFAOYSA-N 0 0 417.488 4.355 20 30 HIEDRN CC[C@H]1COCCN1C(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C ZINC000486328939 901506296 /nfs/dbraw/zinc/50/62/96/901506296.db2.gz WYQGKRFPSZTSMX-SFHVURJKSA-N 0 0 413.543 4.276 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(CCC#N)CCC#N ZINC000486337867 901513488 /nfs/dbraw/zinc/51/34/88/901513488.db2.gz NCPAOQBBHFXRCB-UHFFFAOYSA-N 0 0 421.526 4.295 20 30 HIEDRN Cc1cc(Br)cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000486344626 901517398 /nfs/dbraw/zinc/51/73/98/901517398.db2.gz KVPWKDPPWZRYOR-UHFFFAOYSA-N 0 0 413.319 4.373 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)Cc1cnccn1 ZINC000486364943 901533783 /nfs/dbraw/zinc/53/37/83/901533783.db2.gz GUWVDUWEENGPGT-UHFFFAOYSA-N 0 0 421.526 4.087 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000486368411 901535543 /nfs/dbraw/zinc/53/55/43/901535543.db2.gz RARXRUQNYFFHNU-GOSISDBHSA-N 0 0 409.287 4.410 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2NC(=O)CNc2ccccc2SC[C@@H](C)C#N)n[nH]1 ZINC000486440132 901598938 /nfs/dbraw/zinc/59/89/38/901598938.db2.gz UFWPVGCKRTXPLU-HNNXBMFYSA-N 0 0 420.542 4.391 20 30 HIEDRN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC000505908515 914550658 /nfs/dbraw/zinc/55/06/58/914550658.db2.gz YIQBEVTYQKWSKK-INIZCTEOSA-N 0 0 401.310 4.409 20 30 HIEDRN Cc1c2cc(C)ccc2sc1C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000486458097 901618788 /nfs/dbraw/zinc/61/87/88/901618788.db2.gz JHAVYWGGTCMTPA-WNSKOXEYSA-N 0 0 401.491 4.004 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1 ZINC000486466961 901628206 /nfs/dbraw/zinc/62/82/06/901628206.db2.gz XUASCTSDSKSEKA-JOCHJYFZSA-N 0 0 419.525 4.409 20 30 HIEDRN CC(C)[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1Cl ZINC000486481584 901639771 /nfs/dbraw/zinc/63/97/71/901639771.db2.gz WBCVCFIDNGLHSR-SFTDATJTSA-N 0 0 424.932 4.009 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000486508830 901658414 /nfs/dbraw/zinc/65/84/14/901658414.db2.gz ALZUYWQGEOQDEA-KRWDZBQOSA-N 0 0 422.529 4.213 20 30 HIEDRN N#C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000505913437 914556097 /nfs/dbraw/zinc/55/60/97/914556097.db2.gz TYITZAPUFPKUDM-SFHVURJKSA-N 0 0 406.379 4.274 20 30 HIEDRN COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505913185 914556415 /nfs/dbraw/zinc/55/64/15/914556415.db2.gz RFRNNJMUNJQAQW-MRXNPFEDSA-N 0 0 401.253 4.182 20 30 HIEDRN N#CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000486555882 901702825 /nfs/dbraw/zinc/70/28/25/901702825.db2.gz KSMMAQZMIMYAFU-UHFFFAOYSA-N 0 0 419.485 4.105 20 30 HIEDRN COc1cc(-c2noc(CNc3ccc(C#N)cc3Cl)n2)ccc1OC(F)F ZINC000486568451 901713622 /nfs/dbraw/zinc/71/36/22/901713622.db2.gz UZXBXLZEGWKQNG-UHFFFAOYSA-N 0 0 406.776 4.484 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000505916691 914560873 /nfs/dbraw/zinc/56/08/73/914560873.db2.gz HSXBCEJRLMMKNY-QGZVFWFLSA-N 0 0 405.281 4.490 20 30 HIEDRN C=CCN(CCc1ccco1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000486610458 901746147 /nfs/dbraw/zinc/74/61/47/901746147.db2.gz XINBJGWEMPJMHM-UHFFFAOYSA-N 0 0 422.703 4.254 20 30 HIEDRN C=CCSc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000486695508 901800173 /nfs/dbraw/zinc/80/01/73/901800173.db2.gz AVHCMKJVMHLMCR-UHFFFAOYSA-N 0 0 424.566 4.142 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1Cl ZINC000486704895 901804364 /nfs/dbraw/zinc/80/43/64/901804364.db2.gz CETKNEZSNLOEQL-QKNQBKEWSA-N 0 0 407.901 4.335 20 30 HIEDRN 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ZINC000505928111 914576972 /nfs/dbraw/zinc/57/69/72/914576972.db2.gz JMYWBQJZJPLABO-GOSISDBHSA-N 0 0 402.420 4.475 20 30 HIEDRN CC(C)(C#N)c1ccccc1CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O ZINC000486884199 901930057 /nfs/dbraw/zinc/93/00/57/901930057.db2.gz TVIDJXMEFSRWAQ-NRFANRHFSA-N 0 0 415.415 4.474 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 ZINC000486889713 901934399 /nfs/dbraw/zinc/93/43/99/901934399.db2.gz YSXIIWYUQWFPLA-UHFFFAOYSA-N 0 0 419.407 4.450 20 30 HIEDRN CC(C)(C)Oc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cn1 ZINC000486892570 901936132 /nfs/dbraw/zinc/93/61/32/901936132.db2.gz HBCXNBGYYKMVHM-UHFFFAOYSA-N 0 0 421.526 4.500 20 30 HIEDRN N#C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000505928586 914578792 /nfs/dbraw/zinc/57/87/92/914578792.db2.gz QPBITTONSFRQML-CYBMUJFWSA-N 0 0 404.175 4.324 20 30 HIEDRN CC(C)(C#N)c1ccccc1Cn1cnc2c(F)cc(Br)cc2c1=O ZINC000486908052 901953477 /nfs/dbraw/zinc/95/34/77/901953477.db2.gz HPYWMBHXLMUYOO-UHFFFAOYSA-N 0 0 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HIEDRN C=CCN(CCc1ccco1)C(=O)Nc1ccc(OC)c(Oc2ccc(C)nn2)c1 ZINC000493782552 905217205 /nfs/dbraw/zinc/21/72/05/905217205.db2.gz FLXSNSOUAVRVCU-UHFFFAOYSA-N 0 0 408.458 4.442 20 30 HIEDRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000493998742 905342361 /nfs/dbraw/zinc/34/23/61/905342361.db2.gz FOTMSRJWKXMIPU-JOCHJYFZSA-N 0 0 424.464 4.068 20 30 HIEDRN Cc1nn(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(C)c1[N+](=O)[O-] ZINC000494006427 905347499 /nfs/dbraw/zinc/34/74/99/905347499.db2.gz ITSCAZHLTMLYJW-UHFFFAOYSA-N 0 0 405.414 4.101 20 30 HIEDRN CS(=O)(=O)c1cccc([C@H](NCc2cc(C#N)ccc2F)c2ccc(F)cc2)c1 ZINC000494020697 905361052 /nfs/dbraw/zinc/36/10/52/905361052.db2.gz OGPJRXRNUTYKSN-JOCHJYFZSA-N 0 0 412.461 4.119 20 30 HIEDRN N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)ccc1Oc1ccccc1 ZINC000494079596 905415098 /nfs/dbraw/zinc/41/50/98/905415098.db2.gz OEJCCZIRIDZVRG-OAQYLSRUSA-N 0 0 403.482 4.470 20 30 HIEDRN C=C[C@H](CC(=O)N(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000494125191 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400.482 4.083 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000494631622 905874118 /nfs/dbraw/zinc/87/41/18/905874118.db2.gz MIKKJIAHSOZNPC-OAHLLOKOSA-N 0 0 402.281 4.356 20 30 HIEDRN Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000494678677 905895896 /nfs/dbraw/zinc/89/58/96/905895896.db2.gz GKBUUPHMKPZIEP-PNTFMKQHSA-N 0 0 414.505 4.420 20 30 HIEDRN COc1cc(CN(C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000512487970 921195335 /nfs/dbraw/zinc/19/53/35/921195335.db2.gz BVHDFHLXHKDMIG-IBGZPJMESA-N 0 0 409.530 4.088 20 30 HIEDRN C=CCN(C(=O)NCc1ccc(C2CCC2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494791658 905994942 /nfs/dbraw/zinc/99/49/42/905994942.db2.gz CEEODCZQKIXLLE-GOSISDBHSA-N 0 0 416.529 4.389 20 30 HIEDRN C[C@@H](CCCC(F)(F)F)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000494805484 906005717 /nfs/dbraw/zinc/00/57/17/906005717.db2.gz TZQWJUDFKNHHNL-ZFWWWQNUSA-N 0 0 400.420 4.086 20 30 HIEDRN C=CCN(C(=O)N[C@@H](C)CCCC(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000494807057 906007727 /nfs/dbraw/zinc/00/77/27/906007727.db2.gz FOWVINAXRIXOFM-LSDHHAIUSA-N 0 0 410.444 4.042 20 30 HIEDRN CN(CCc1cccs1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000494839800 906031747 /nfs/dbraw/zinc/03/17/47/906031747.db2.gz XKAHXXWUAPLMDH-UHFFFAOYSA-N 0 0 405.479 4.052 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000494894694 906069272 /nfs/dbraw/zinc/06/92/72/906069272.db2.gz TVZQVFJLFBYDAU-NRFANRHFSA-N 0 0 410.395 4.042 20 30 HIEDRN CC(C)(C)Cc1cc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n[nH]1 ZINC000494905982 906081078 /nfs/dbraw/zinc/08/10/78/906081078.db2.gz BSTFJNYTPQMIDW-UHFFFAOYSA-N 0 0 408.506 4.225 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000512505927 921205810 /nfs/dbraw/zinc/20/58/10/921205810.db2.gz DTSGVUFFMDALPA-MRXNPFEDSA-N 0 0 411.575 4.291 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512511465 921207381 /nfs/dbraw/zinc/20/73/81/921207381.db2.gz HRCRPADEDXXXCO-LJQANCHMSA-N 0 0 411.550 4.196 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2)c1 ZINC000512515672 921209595 /nfs/dbraw/zinc/20/95/95/921209595.db2.gz WQXKCEZPHIIYBT-FQEVSTJZSA-N 0 0 419.868 4.350 20 30 HIEDRN C=C(C)CN(CC(=O)N1CCc2sccc2[C@H]1CC)Cc1cnn(C(C)C)c1 ZINC000512521347 921212927 /nfs/dbraw/zinc/21/29/27/921212927.db2.gz CSNQSTJOVFSMDO-HXUWFJFHSA-N 0 0 400.592 4.440 20 30 HIEDRN N#C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(Cl)c1Cl ZINC000495100207 906239289 /nfs/dbraw/zinc/23/92/89/906239289.db2.gz SEIGIMAJPOWUIP-AWEZNQCLSA-N 0 0 416.224 4.082 20 30 HIEDRN COc1ccc(Br)c(CC(=O)Nc2nc(C)c(SCC#N)s2)c1 ZINC000495168743 906283745 /nfs/dbraw/zinc/28/37/45/906283745.db2.gz RWYYIRMLHWWKGZ-UHFFFAOYSA-N 0 0 412.334 4.020 20 30 HIEDRN C=C(C)CN(CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1cnn(C(C)C)c1 ZINC000512536492 921221794 /nfs/dbraw/zinc/22/17/94/921221794.db2.gz JBQVNFGPFJSUAC-UHFFFAOYSA-N 0 0 424.570 4.204 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ZINC000495389906 906421410 /nfs/dbraw/zinc/42/14/10/906421410.db2.gz WTWJHNJBXIQJCK-JOCHJYFZSA-N 0 0 404.901 4.386 20 30 HIEDRN COc1cc(CCC2CCN(C(=O)Nc3cc(C#N)ccc3OC)CC2)cc(OC)c1 ZINC000495390282 906421539 /nfs/dbraw/zinc/42/15/39/906421539.db2.gz CODWMNZVQSVPJP-UHFFFAOYSA-N 0 0 423.513 4.461 20 30 HIEDRN CCc1cc(N2CCC[C@@H](NC(=O)Nc3ccccc3SC[C@H](C)C#N)C2)ncn1 ZINC000495408307 906432348 /nfs/dbraw/zinc/43/23/48/906432348.db2.gz LBNXIBGROCKLCG-SJLPKXTDSA-N 0 0 424.574 4.081 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000495455934 906461380 /nfs/dbraw/zinc/46/13/80/906461380.db2.gz UPGZLDNZPSDOOZ-GOSISDBHSA-N 0 0 414.550 4.200 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Nc2cccc3c2CNC3=O)cc1 ZINC000495518365 906495171 /nfs/dbraw/zinc/49/51/71/906495171.db2.gz WRMDFKFKRDIMAN-UHFFFAOYSA-N 0 0 414.440 4.175 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)N(CC#N)c3ccccc3)cc2)c(C)c1Br ZINC000495548678 906502552 /nfs/dbraw/zinc/50/25/52/906502552.db2.gz REIYMTQXIYLDCX-UHFFFAOYSA-N 0 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C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCN(c2nccs2)CC1 ZINC000520941278 928883947 /nfs/dbraw/zinc/88/39/47/928883947.db2.gz IMFJOSUECUFHIE-HNNXBMFYSA-N 0 0 401.561 4.282 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)COc3ccc4ccccc4c3)C2)c(F)c1 ZINC000520992710 928909649 /nfs/dbraw/zinc/90/96/49/928909649.db2.gz KPOOSIJVJNRPKU-FQEVSTJZSA-N 0 0 403.457 4.015 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCc4c3cccc4Cl)C2)c(F)c1 ZINC000521004747 928919792 /nfs/dbraw/zinc/91/97/92/928919792.db2.gz BMMXEZOJQXKTIL-MGPUTAFESA-N 0 0 412.896 4.306 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCc4c3cccc4Cl)C2)c(F)c1 ZINC000521004749 928919843 /nfs/dbraw/zinc/91/98/43/928919843.db2.gz BMMXEZOJQXKTIL-YWZLYKJASA-N 0 0 412.896 4.306 20 30 HIEDRN CCN(Cc1c(F)cccc1F)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521009341 928925714 /nfs/dbraw/zinc/92/57/14/928925714.db2.gz IBYDJRCBLRQGFD-INIZCTEOSA-N 0 0 416.447 4.176 20 30 HIEDRN CC1(C)Cc2cccc(OCC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2O1 ZINC000521017243 928933964 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HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000521123406 929009420 /nfs/dbraw/zinc/00/94/20/929009420.db2.gz WGNSJOSNFHYKHT-HSZRJFAPSA-N 0 0 405.498 4.424 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CC1CCCC1 ZINC000521142848 929020399 /nfs/dbraw/zinc/02/03/99/929020399.db2.gz QGHHOMIXULLJOE-UHFFFAOYSA-N 0 0 407.489 4.236 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000521142489 929021103 /nfs/dbraw/zinc/02/11/03/929021103.db2.gz SHGJFTXLJLAKMY-UHFFFAOYSA-N 0 0 401.308 4.220 20 30 HIEDRN COc1ccccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C ZINC000521146666 929025132 /nfs/dbraw/zinc/02/51/32/929025132.db2.gz JKFIJDBRDAFWBT-UHFFFAOYSA-N 0 0 410.470 4.410 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000521165068 929037686 /nfs/dbraw/zinc/03/76/86/929037686.db2.gz OADMXRPJHGLVQT-UHFFFAOYSA-N 0 0 407.276 4.036 20 30 HIEDRN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000521211546 929063115 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HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)CSc3nnnn3C3CCCC3)cc2)cc1 ZINC000521356291 929175644 /nfs/dbraw/zinc/17/56/44/929175644.db2.gz TUSSZTVCQVJMGK-UHFFFAOYSA-N 0 0 420.498 4.183 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000521356650 929177953 /nfs/dbraw/zinc/17/79/53/929177953.db2.gz DHPNTZLQPDWQSI-WMZOPIPTSA-N 0 0 405.498 4.145 20 30 HIEDRN C=CCCO[C@@H](C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000521382275 929198585 /nfs/dbraw/zinc/19/85/85/929198585.db2.gz CQQKGIYFFYCHIR-BBWFWOEESA-N 0 0 418.534 4.027 20 30 HIEDRN COc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000521504538 929256352 /nfs/dbraw/zinc/25/63/52/929256352.db2.gz PEDCOYZVMYFZSP-UHFFFAOYSA-N 0 0 407.392 4.266 20 30 HIEDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000521552363 929291133 /nfs/dbraw/zinc/29/11/33/929291133.db2.gz USXJTDNHLCELNI-KRWDZBQOSA-N 0 0 409.833 4.047 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000521558589 929296043 /nfs/dbraw/zinc/29/60/43/929296043.db2.gz XUCYPLXFQLEDHP-UHFFFAOYSA-N 0 0 411.310 4.251 20 30 HIEDRN CCN(CC#N)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000521580521 929309302 /nfs/dbraw/zinc/30/93/02/929309302.db2.gz FVBGSZSDMDYXPT-UHFFFAOYSA-N 0 0 411.918 4.052 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCCC2(CCOCC2)C1 ZINC000521647534 929343145 /nfs/dbraw/zinc/34/31/45/929343145.db2.gz CUVAUNXAXIJQHC-UHFFFAOYSA-N 0 0 410.562 4.393 20 30 HIEDRN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000521729981 929394493 /nfs/dbraw/zinc/39/44/93/929394493.db2.gz KKKHRGPZVQWFBK-OAHLLOKOSA-N 0 0 417.556 4.342 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1CN1CCOCC1 ZINC000521747842 929406762 /nfs/dbraw/zinc/40/67/62/929406762.db2.gz BGNKYLMEPROZKO-GOSISDBHSA-N 0 0 424.570 4.092 20 30 HIEDRN C=CCN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521790598 929448210 /nfs/dbraw/zinc/44/82/10/929448210.db2.gz VTGROYJZMSVVNS-DJIMGWMZSA-N 0 0 407.440 4.107 20 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HIEDRN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)C ZINC000555363609 942495949 /nfs/dbraw/zinc/49/59/49/942495949.db2.gz JSTFDPUCESZVPO-AEFFLSMTSA-N 0 0 417.941 4.073 20 30 HIEDRN CC(C)CCOc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCO2)cc1 ZINC000555395091 942513105 /nfs/dbraw/zinc/51/31/05/942513105.db2.gz ONGXIBTVZAIEAA-NQIIRXRSSA-N 0 0 411.550 4.145 20 30 HIEDRN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555419178 942524535 /nfs/dbraw/zinc/52/45/35/942524535.db2.gz AJCLFMBOGHBRFY-KRWDZBQOSA-N 0 0 413.403 4.226 20 30 HIEDRN C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)CC[C@@H]1C ZINC000555434074 942532318 /nfs/dbraw/zinc/53/23/18/942532318.db2.gz GGGYANZXFVGLHS-IRXDYDNUSA-N 0 0 407.543 4.321 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@]4(CCCOC4)C3)n2Cc2cccs2)c1 ZINC000555441884 942544852 /nfs/dbraw/zinc/54/48/52/942544852.db2.gz VMIFRNCESXFZNZ-QHCPKHFHSA-N 0 0 419.554 4.324 20 30 HIEDRN COc1cccc(CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C2CCC(O)CC2)c1 ZINC000555442963 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C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000555799859 942737246 /nfs/dbraw/zinc/73/72/46/942737246.db2.gz WRGXQQOJQQHUIR-FQEVSTJZSA-N 0 0 400.906 4.131 20 30 HIEDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000555847838 942752059 /nfs/dbraw/zinc/75/20/59/942752059.db2.gz YTLDWVXEIHAQIQ-LLVKDONJSA-N 0 0 420.694 4.132 20 30 HIEDRN C=CCN(C(=O)c1cc(C)cc2c(C)ccnc12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000555879365 942763248 /nfs/dbraw/zinc/76/32/48/942763248.db2.gz GLJQHXKNBSTPAD-GOSISDBHSA-N 0 0 412.497 4.217 20 30 HIEDRN C[C@](C#N)(NC(=O)c1ccc(-n2cc(Br)cn2)cc1)C1CCCCC1 ZINC000555903855 942769613 /nfs/dbraw/zinc/76/96/13/942769613.db2.gz DGNUEYGFOOZZLX-LJQANCHMSA-N 0 0 401.308 4.227 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)NC2(c3ccc(Cl)cc3)CC2)c1C#N ZINC000555938528 942775522 /nfs/dbraw/zinc/77/55/22/942775522.db2.gz PQFPWWLAHLMSFU-UHFFFAOYSA-N 0 0 401.919 4.315 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(C3CCOCC3)CC2)c1C#N ZINC000555963053 942780411 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C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000556300376 942836063 /nfs/dbraw/zinc/83/60/63/942836063.db2.gz UWJXPPYQDCWPPJ-UHFFFAOYSA-N 0 0 418.428 4.033 20 30 HIEDRN CC(C)(C)c1cc(NS(=O)(=O)Cc2ccc(F)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000556316224 942839464 /nfs/dbraw/zinc/83/94/64/942839464.db2.gz PFTGGQZTCKSPDF-UHFFFAOYSA-N 0 0 412.490 4.122 20 30 HIEDRN CCSc1cccc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000556389753 942855136 /nfs/dbraw/zinc/85/51/36/942855136.db2.gz FFUOERAOGQVCSN-HNNXBMFYSA-N 0 0 413.568 4.305 20 30 HIEDRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)C(F)(F)F ZINC000556459586 942874046 /nfs/dbraw/zinc/87/40/46/942874046.db2.gz USKFMMDHHUYGFT-QGZVFWFLSA-N 0 0 406.433 4.465 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 ZINC000556491538 942883633 /nfs/dbraw/zinc/88/36/33/942883633.db2.gz FURVCEUNGGATAH-UHFFFAOYSA-N 0 0 417.465 4.387 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)c3ccc(C(C)(F)F)cc3)c(C#N)c2N)cc1 ZINC000556499651 942885876 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CSc1cc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)ccn1 ZINC000557229434 943056539 /nfs/dbraw/zinc/05/65/39/943056539.db2.gz PWQFRKZMZBJHOB-UHFFFAOYSA-N 0 0 417.494 4.249 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000557242995 943059076 /nfs/dbraw/zinc/05/90/76/943059076.db2.gz NOWACGIVBXARQP-BONVTDFDSA-N 0 0 416.549 4.180 20 30 HIEDRN CN(C)c1cc(C#N)cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)c1 ZINC000557347734 943080942 /nfs/dbraw/zinc/08/09/42/943080942.db2.gz KMHYYWSMRZFBEI-UHFFFAOYSA-N 0 0 416.268 4.162 20 30 HIEDRN CC[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000557455869 943138158 /nfs/dbraw/zinc/13/81/58/943138158.db2.gz LMJYYLQFISGCCQ-QUCCMNQESA-N 0 0 417.488 4.181 20 30 HIEDRN Cn1c(Cc2cccs2)nc2cc(C(=O)N(CCC#N)Cc3cccnc3)ccc21 ZINC000557472107 943150423 /nfs/dbraw/zinc/15/04/23/943150423.db2.gz ZKEFCMVHZFSOMZ-UHFFFAOYSA-N 0 0 415.522 4.177 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)Nc3cc(C4CC4)nn3-c3ccccc3)C2)c(F)c1 ZINC000557475795 943154018 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423.432 4.499 20 30 HIEDRN COc1ccc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(F)c1 ZINC000557583212 943219162 /nfs/dbraw/zinc/21/91/62/943219162.db2.gz JOGAIHIBVGEVJH-UHFFFAOYSA-N 0 0 415.896 4.282 20 30 HIEDRN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000557584786 943220634 /nfs/dbraw/zinc/22/06/34/943220634.db2.gz WNSCCYNXRDEHDX-MRXNPFEDSA-N 0 0 421.394 4.081 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000557590239 943222951 /nfs/dbraw/zinc/22/29/51/943222951.db2.gz STHHDJVZHUBCDK-UHFFFAOYSA-N 0 0 400.475 4.182 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000557595625 943223709 /nfs/dbraw/zinc/22/37/09/943223709.db2.gz KWZFZZHNUDJVHH-RBUKOAKNSA-N 0 0 404.304 4.243 20 30 HIEDRN CC(=O)c1ccc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc1C ZINC000557594593 943223815 /nfs/dbraw/zinc/22/38/15/943223815.db2.gz DRIXNMWWZJWLGT-UHFFFAOYSA-N 0 0 424.932 4.041 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000557610346 943229402 /nfs/dbraw/zinc/22/94/02/943229402.db2.gz ZZGAAJUHPDLANI-UHFFFAOYSA-N 0 0 403.530 4.357 20 30 HIEDRN C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000557653589 943249394 /nfs/dbraw/zinc/24/93/94/943249394.db2.gz UVIRUPBQGBWGPL-ZDUSSCGKSA-N 0 0 405.401 4.298 20 30 HIEDRN CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000557662955 943252141 /nfs/dbraw/zinc/25/21/41/943252141.db2.gz DFKPGJVRINPXIE-RXVVDRJESA-N 0 0 400.486 4.216 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000557668367 943253916 /nfs/dbraw/zinc/25/39/16/943253916.db2.gz WDUHOMFOGIKFOU-JOCHJYFZSA-N 0 0 421.928 4.384 20 30 HIEDRN N#Cc1cccc(CCNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000557691869 943259928 /nfs/dbraw/zinc/25/99/28/943259928.db2.gz DHCXBDQUGCYEIO-UHFFFAOYSA-N 0 0 418.880 4.180 20 30 HIEDRN Cc1nn(Cc2ccccc2)c2sc(C(=O)NCCc3cccc(C#N)c3)cc12 ZINC000557693188 943260142 /nfs/dbraw/zinc/26/01/42/943260142.db2.gz KNIKDRVIKDXQMJ-UHFFFAOYSA-N 0 0 400.507 4.299 20 30 HIEDRN Cc1ccc(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C)c1 ZINC000557719021 943268619 /nfs/dbraw/zinc/26/86/19/943268619.db2.gz VISOAWUIJADJAL-UHFFFAOYSA-N 0 0 412.555 4.089 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000557728127 943271917 /nfs/dbraw/zinc/27/19/17/943271917.db2.gz ODZULPSVZSRCIQ-NQIIRXRSSA-N 0 0 424.570 4.276 20 30 HIEDRN N#Cc1ccncc1N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000557746014 943277723 /nfs/dbraw/zinc/27/77/23/943277723.db2.gz CSMZPOXZSXSLFJ-UHFFFAOYSA-N 0 0 417.321 4.437 20 30 HIEDRN CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc2ccccc2c1 ZINC000557817713 943302294 /nfs/dbraw/zinc/30/22/94/943302294.db2.gz QQCVDWUSDIZXPQ-UHFFFAOYSA-N 0 0 409.493 4.358 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)C2)c(F)c1 ZINC000557836175 943307976 /nfs/dbraw/zinc/30/79/76/943307976.db2.gz OYKOBTBRKLGXOA-NNXSRULWSA-N 0 0 403.501 4.318 20 30 HIEDRN N#Cc1ccccc1N(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1 ZINC000557930471 943331605 /nfs/dbraw/zinc/33/16/05/943331605.db2.gz BAJLDLXLPKEJKZ-UHFFFAOYSA-N 0 0 417.284 4.309 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1 ZINC000557943097 943336244 /nfs/dbraw/zinc/33/62/44/943336244.db2.gz SPJWDOHRMTWHMP-GOSISDBHSA-N 0 0 404.514 4.176 20 30 HIEDRN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(Br)cc1C#N ZINC000558088526 943377456 /nfs/dbraw/zinc/37/74/56/943377456.db2.gz AMSMLPQIYSVUQD-UHFFFAOYSA-N 0 0 416.319 4.180 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000558130202 943389883 /nfs/dbraw/zinc/38/98/83/943389883.db2.gz IFYMQHBMMDQTAM-RBUKOAKNSA-N 0 0 402.416 4.356 20 30 HIEDRN N#CCCN(C(=O)c1ccc(I)c(F)c1)c1ccc(F)cc1 ZINC000558143946 943395870 /nfs/dbraw/zinc/39/58/70/943395870.db2.gz DPNUJTLXTNANIF-UHFFFAOYSA-N 0 0 412.177 4.130 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC(F)F)cn2)cc1C ZINC000558162920 943404062 /nfs/dbraw/zinc/40/40/62/943404062.db2.gz MJPUMCVIKUXOJW-UHFFFAOYSA-N 0 0 411.412 4.329 20 30 HIEDRN Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)nc21 ZINC000558195252 943426767 /nfs/dbraw/zinc/42/67/67/943426767.db2.gz PUFVKFNZLLPPSG-CYBMUJFWSA-N 0 0 411.343 4.430 20 30 HIEDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000558320773 943505463 /nfs/dbraw/zinc/50/54/63/943505463.db2.gz TXDQJNJWLPCSDQ-IBGZPJMESA-N 0 0 406.486 4.263 20 30 HIEDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)Nc4ccc(OCc5cccc(C#N)c5)c(F)c4)[C@H]1[C@H]3C2 ZINC000558324883 943508295 /nfs/dbraw/zinc/50/82/95/943508295.db2.gz XRCVYGGYPXBBEV-IEFKJCAQSA-N 0 0 421.472 4.163 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000558338923 943514952 /nfs/dbraw/zinc/51/49/52/943514952.db2.gz IDLTVOSORWWJKN-SUMWQHHRSA-N 0 0 401.454 4.250 20 30 HIEDRN COC(=O)C[C@](C)(NC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccncc1 ZINC000558345542 943519281 /nfs/dbraw/zinc/51/92/81/943519281.db2.gz UTUNBPTYNBYNNS-BTYIYWSLSA-N 0 0 412.515 4.076 20 30 HIEDRN CSc1nc(C2CC2)cc(-c2nc(Cc3cnc4ccccc4n3)no2)c1C#N ZINC000558384437 943539785 /nfs/dbraw/zinc/53/97/85/943539785.db2.gz GJZSYIGQQGREES-UHFFFAOYSA-N 0 0 400.467 4.137 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)NCc1ccncc1CC)c1ccc(C(F)(F)F)cc1 ZINC000558390731 943542467 /nfs/dbraw/zinc/54/24/67/943542467.db2.gz UPGQXULZPDEKHX-LJQANCHMSA-N 0 0 419.447 4.103 20 30 HIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC000558452551 943562833 /nfs/dbraw/zinc/56/28/33/943562833.db2.gz OGVGFDJMVDMTEB-MRXNPFEDSA-N 0 0 403.461 4.178 20 30 HIEDRN C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC000558455733 943564552 /nfs/dbraw/zinc/56/45/52/943564552.db2.gz FJGFMWALWUZQSE-OAHLLOKOSA-N 0 0 408.477 4.411 20 30 HIEDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NS(=O)(=O)c1cncc(C#N)c1 ZINC000558481269 943570988 /nfs/dbraw/zinc/57/09/88/943570988.db2.gz IXAUEFGGBDDLFO-GFCCVEGCSA-N 0 0 418.931 4.078 20 30 HIEDRN Cc1cccc2c1OC[C@H](NC(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2 ZINC000558505075 943578385 /nfs/dbraw/zinc/57/83/85/943578385.db2.gz WNCDVHPYRINLQQ-LJQANCHMSA-N 0 0 400.438 4.179 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)c1C#N ZINC000558506050 943579176 /nfs/dbraw/zinc/57/91/76/943579176.db2.gz SNWXJZQLRXTRMZ-UHFFFAOYSA-N 0 0 414.293 4.123 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)c3oc4c(ccc5ccccc45)c3C)CC2)c1C#N ZINC000558556094 943596248 /nfs/dbraw/zinc/59/62/48/943596248.db2.gz JMHKZMHWRGWLAG-UHFFFAOYSA-N 0 0 416.506 4.493 20 30 HIEDRN Cc1nsc(N2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)CC2)c1C#N ZINC000558598638 943613091 /nfs/dbraw/zinc/61/30/91/943613091.db2.gz FBCKTYBSRWYNPM-UHFFFAOYSA-N 0 0 408.918 4.032 20 30 HIEDRN C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000558638225 943622892 /nfs/dbraw/zinc/62/28/92/943622892.db2.gz FUYVEDJJCCFMQU-SJLPKXTDSA-N 0 0 417.488 4.116 20 30 HIEDRN COc1cc(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)ccc1C#N ZINC000558649275 943624209 /nfs/dbraw/zinc/62/42/09/943624209.db2.gz AKKATYULRSUGNX-KRWDZBQOSA-N 0 0 406.511 4.266 20 30 HIEDRN C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ncc(-c2ccccc2)o1 ZINC000558656826 943625122 /nfs/dbraw/zinc/62/51/22/943625122.db2.gz PYSXVYQKMDCGSV-KRWDZBQOSA-N 0 0 401.470 4.065 20 30 HIEDRN C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(c2ncccc2Cl)CC1 ZINC000558662544 943625561 /nfs/dbraw/zinc/62/55/61/943625561.db2.gz YHIWKKSHCPBMRL-UHFFFAOYSA-N 0 0 423.904 4.292 20 30 HIEDRN C=CCn1c(N(C)Cc2csc(CC)n2)nnc1C(F)(F)Oc1ccccc1 ZINC000558675663 943626926 /nfs/dbraw/zinc/62/69/26/943626926.db2.gz TZFXZHSTTPBPNB-UHFFFAOYSA-N 0 0 405.474 4.248 20 30 HIEDRN C=CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000558673507 943627028 /nfs/dbraw/zinc/62/70/28/943627028.db2.gz VZLUWSAVBWZBFK-SFHVURJKSA-N 0 0 417.351 4.462 20 30 HIEDRN O=C(NCC(F)(F)C(F)F)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000558754071 943645937 /nfs/dbraw/zinc/64/59/37/943645937.db2.gz KJCKMAHDNZWURR-UHFFFAOYSA-N 0 0 408.224 4.239 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000558851603 943700228 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HIEDRN Cc1c(NC(=O)c2ccc(C#N)c(Cl)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000558907545 943740207 /nfs/dbraw/zinc/74/02/07/943740207.db2.gz RAXSLURXLULMSY-UHFFFAOYSA-N 0 0 419.794 4.431 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCOC4(CCCCC4)C3)n2Cc2ccccc2)cc1 ZINC000558911485 943742343 /nfs/dbraw/zinc/74/23/43/943742343.db2.gz BEXYJRQTYZGLLR-UHFFFAOYSA-N 0 0 413.525 4.405 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(OCC(C)C)CC1 ZINC000558963276 943771915 /nfs/dbraw/zinc/77/19/15/943771915.db2.gz IXDFPGQQSMGOGT-UHFFFAOYSA-N 0 0 402.514 4.214 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(F)c3ccccc3c2)CC1 ZINC000558965616 943774438 /nfs/dbraw/zinc/77/44/38/943774438.db2.gz FKUKJSLKFDXZOV-UHFFFAOYSA-N 0 0 416.412 4.061 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000558971565 943775947 /nfs/dbraw/zinc/77/59/47/943775947.db2.gz SWFNTGYAZPGCQT-UHFFFAOYSA-N 0 0 424.504 4.006 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000558980768 943782519 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ZINC000559004374 943799931 /nfs/dbraw/zinc/79/99/31/943799931.db2.gz NKINDEOJUFGXMG-SFYKDHMMSA-N 0 0 402.583 4.140 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000559003828 943800070 /nfs/dbraw/zinc/80/00/70/943800070.db2.gz NVXVHBJGXWFUKL-ZWKOTPCHSA-N 0 0 414.575 4.018 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(OC(C)C)CC1 ZINC000559004783 943800624 /nfs/dbraw/zinc/80/06/24/943800624.db2.gz QUWYZFKDAPKHON-UHFFFAOYSA-N 0 0 414.550 4.322 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCc1nccs1 ZINC000559005610 943800671 /nfs/dbraw/zinc/80/06/71/943800671.db2.gz QEVAIVSADYSRQY-UHFFFAOYSA-N 0 0 406.515 4.312 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000559010095 943802257 /nfs/dbraw/zinc/80/22/57/943802257.db2.gz WUMFLMJOKQBYRE-BSRJHKFKSA-N 0 0 414.525 4.132 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)N(CC)CC)CC1 ZINC000559026947 943809221 /nfs/dbraw/zinc/80/92/21/943809221.db2.gz BCTOXPQVCACUMU-UHFFFAOYSA-N 0 0 409.578 4.168 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@@H](OCC3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000559028404 943810046 /nfs/dbraw/zinc/81/00/46/943810046.db2.gz YHRJMDZBUYYXBW-LJQANCHMSA-N 0 0 418.488 4.378 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC(CC)(CC)C1 ZINC000559062815 943820461 /nfs/dbraw/zinc/82/04/61/943820461.db2.gz JAUYGSCLWXWJLT-UHFFFAOYSA-N 0 0 413.591 4.355 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000559066455 943822002 /nfs/dbraw/zinc/82/20/02/943822002.db2.gz AHGCKYMXVVASAR-UHFFFAOYSA-N 0 0 403.442 4.265 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000559080145 943828889 /nfs/dbraw/zinc/82/88/89/943828889.db2.gz ZNIWTJXEHUMXHX-PGRDOPGGSA-N 0 0 401.514 4.439 20 30 HIEDRN CC(C)Cn1c(-c2ccoc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000559088728 943832778 /nfs/dbraw/zinc/83/27/78/943832778.db2.gz VYLAKYHYVRDQNA-UHFFFAOYSA-N 0 0 410.909 4.046 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC(c4ccccc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000559095706 943836776 /nfs/dbraw/zinc/83/67/76/943836776.db2.gz HTICWOXIVCZRML-QHCPKHFHSA-N 0 0 413.525 4.380 20 30 HIEDRN C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000559101507 943839545 /nfs/dbraw/zinc/83/95/45/943839545.db2.gz AVOXWAFRRXWTPE-PMACEKPBSA-N 0 0 407.495 4.399 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC(c4ccccc4)CC3)n2C[C@@H]2CCCO2)c1 ZINC000559127947 943849726 /nfs/dbraw/zinc/84/97/26/943849726.db2.gz ZXPBZEXLRJBXCN-QHCPKHFHSA-N 0 0 413.525 4.380 20 30 HIEDRN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000559131386 943850591 /nfs/dbraw/zinc/85/05/91/943850591.db2.gz ZDAOKWVDWXPKQS-VKJFTORMSA-N 0 0 419.451 4.126 20 30 HIEDRN N#Cc1cc(C(=O)NCc2cccc(COc3ccccc3)c2)cnc1C(F)(F)F ZINC000559146949 943854070 /nfs/dbraw/zinc/85/40/70/943854070.db2.gz HXPMIRPSIHRZPQ-UHFFFAOYSA-N 0 0 411.383 4.481 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C[C@H]3CCCS(=O)(=O)C3)cc2Cl)cc1 ZINC000559146690 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QAQYBRWRMNDUQM-QWRGUYRKSA-N 0 0 400.338 4.208 20 30 HIEDRN N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)CC/C=C/c1ccccc1 ZINC000303727991 855154857 /nfs/dbraw/zinc/15/48/57/855154857.db2.gz CSYUJUAUNPKUGD-RUDMXATFSA-N 0 0 417.488 4.008 20 30 HIEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000303852951 855248717 /nfs/dbraw/zinc/24/87/17/855248717.db2.gz KKHJMUMZBWKKFR-UHFFFAOYSA-N 0 0 416.443 4.263 20 30 HIEDRN C=CCn1c(S[C@@H](C)c2nc(Cc3ccccc3)no2)nc2sccc2c1=O ZINC000303866596 855259711 /nfs/dbraw/zinc/25/97/11/855259711.db2.gz NDCASZNJZVJJQX-ZDUSSCGKSA-N 0 0 410.524 4.471 20 30 HIEDRN COc1cc(/C=C/C(=O)c2c(Cl)nc3ccccn32)c(Br)cc1O ZINC000303898317 855276664 /nfs/dbraw/zinc/27/66/64/855276664.db2.gz SLBLVOAJNAQROC-AATRIKPKSA-N 0 0 407.651 4.361 20 30 HIEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000303945450 855309542 /nfs/dbraw/zinc/30/95/42/855309542.db2.gz YCRTTZMGQHFPQB-HNNXBMFYSA-N 0 0 402.416 4.277 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCOc1ncccc1F ZINC000437371243 862669176 /nfs/dbraw/zinc/66/91/76/862669176.db2.gz HYQQSBJXHORJSC-UHFFFAOYSA-N 0 0 406.417 4.394 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1C#N ZINC000304099918 855354249 /nfs/dbraw/zinc/35/42/49/855354249.db2.gz YANCMBSYBBRDRI-IBGZPJMESA-N 0 0 408.461 4.074 20 30 HIEDRN C=CCCCCNC(=O)c1cc(Br)ccc1I ZINC000310146707 855365108 /nfs/dbraw/zinc/36/51/08/855365108.db2.gz DOPSVBFCEVXDNM-UHFFFAOYSA-N 0 0 408.077 4.140 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)cc1Br ZINC000314934898 855376748 /nfs/dbraw/zinc/37/67/48/855376748.db2.gz XRKQHTNRURZVOD-UHFFFAOYSA-N 0 0 410.065 4.344 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(COCc4ccccc4)cc3)n2)c1 ZINC000409457177 855488407 /nfs/dbraw/zinc/48/84/07/855488407.db2.gz NAOSNJWTARUAIU-UHFFFAOYSA-N 0 0 422.488 4.391 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H]3Cc3c(F)cccc3Cl)n2)c1 ZINC000409468056 855494467 /nfs/dbraw/zinc/49/44/67/855494467.db2.gz AZBSDFXEZUHDNJ-MRXNPFEDSA-N 0 0 408.864 4.384 20 30 HIEDRN CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409480561 855502077 /nfs/dbraw/zinc/50/20/77/855502077.db2.gz WUFHAXYPDDEPBT-SFHVURJKSA-N 0 0 402.498 4.282 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NCc2cccc(-c3ccccn3)c2)ccc1C(F)(F)F ZINC000409486411 855505164 /nfs/dbraw/zinc/50/51/64/855505164.db2.gz RLAPIVRZQFRXNM-UHFFFAOYSA-N 0 0 417.412 4.118 20 30 HIEDRN COc1cccc([C@@H]2C[C@@H](C)CN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000409494691 855508772 /nfs/dbraw/zinc/50/87/72/855508772.db2.gz QSTBFEKLMUCIRU-YJYMSZOUSA-N 0 0 424.444 4.357 20 30 HIEDRN CCC[C@]1(C)CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000437378189 862687661 /nfs/dbraw/zinc/68/76/61/862687661.db2.gz REURCRKTYIYSRJ-HSZRJFAPSA-N 0 0 410.518 4.451 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(C#N)c1 ZINC000409505251 855513226 /nfs/dbraw/zinc/51/32/26/855513226.db2.gz WCFCKBOPIAVEKK-UHFFFAOYSA-N 0 0 402.267 4.358 20 30 HIEDRN COc1ccc(-c2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)o2)cc1 ZINC000409529520 855525843 /nfs/dbraw/zinc/52/58/43/855525843.db2.gz TWJPLNMYNTXFMB-UHFFFAOYSA-N 0 0 400.485 4.026 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)c1 ZINC000409533261 855527783 /nfs/dbraw/zinc/52/77/83/855527783.db2.gz BWILXHZLDNDFHU-NRFANRHFSA-N 0 0 422.916 4.259 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000409537066 855530426 /nfs/dbraw/zinc/53/04/26/855530426.db2.gz MERDBFXEONOUQD-JLJPHGGASA-N 0 0 405.281 4.495 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC000409541245 855533102 /nfs/dbraw/zinc/53/31/02/855533102.db2.gz PQACFLFVHKNTFP-RYQLBKOJSA-N 0 0 404.388 4.207 20 30 HIEDRN COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000409547440 855536513 /nfs/dbraw/zinc/53/65/13/855536513.db2.gz ZNUAIIPDJXXWCY-UHFFFAOYSA-N 0 0 416.433 4.185 20 30 HIEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC000409562079 855541574 /nfs/dbraw/zinc/54/15/74/855541574.db2.gz OWWORNQQQOZHGS-WMZHIEFXSA-N 0 0 411.571 4.211 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409566214 855544307 /nfs/dbraw/zinc/54/43/07/855544307.db2.gz VOFZKDTXBNLPOM-KKSFZXQISA-N 0 0 421.513 4.254 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3csc4ccccc34)CC2)c1 ZINC000409570574 855544969 /nfs/dbraw/zinc/54/49/69/855544969.db2.gz MVRGUCQTQDQVHP-UHFFFAOYSA-N 0 0 418.522 4.333 20 30 HIEDRN COc1ccc2c(c1)CCC[C@H]2N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409572268 855545915 /nfs/dbraw/zinc/54/59/15/855545915.db2.gz ZERAGBUPKCZYPB-LJQANCHMSA-N 0 0 424.444 4.284 20 30 HIEDRN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409573010 855546538 /nfs/dbraw/zinc/54/65/38/855546538.db2.gz VOOZSHUJRCNDRE-HNNXBMFYSA-N 0 0 409.552 4.101 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1C(F)(F)F ZINC000409576007 855548453 /nfs/dbraw/zinc/54/84/53/855548453.db2.gz LTUGAEQADXQJAL-HNAYVOBHSA-N 0 0 424.444 4.023 20 30 HIEDRN Cc1ccc(-c2ccc(CN(C(C)C)S(=O)(=O)N(C)C[C@@H](C)C#N)s2)cc1 ZINC000409581659 855552041 /nfs/dbraw/zinc/55/20/41/855552041.db2.gz LSMCRASAFYYSPT-KRWDZBQOSA-N 0 0 405.589 4.270 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000409659412 855588746 /nfs/dbraw/zinc/58/87/46/855588746.db2.gz ZLOMQKKPMUEGHV-OAHLLOKOSA-N 0 0 422.510 4.122 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)C[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000409665397 855592494 /nfs/dbraw/zinc/59/24/94/855592494.db2.gz JOGTYIGKSIXJHP-NRFANRHFSA-N 0 0 401.510 4.246 20 30 HIEDRN N#Cc1nc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccc1C(F)(F)F ZINC000409675470 855596503 /nfs/dbraw/zinc/59/65/03/855596503.db2.gz KVYCERMICOTEBR-NSHDSACASA-N 0 0 402.298 4.044 20 30 HIEDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000437384124 862697717 /nfs/dbraw/zinc/69/77/17/862697717.db2.gz JEOIAIDLOHDUJO-AWEZNQCLSA-N 0 0 415.877 4.088 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000409688210 855602513 /nfs/dbraw/zinc/60/25/13/855602513.db2.gz QELRFYHSDDZGCG-UHFFFAOYSA-N 0 0 405.329 4.238 20 30 HIEDRN N#Cc1nc(NC2CCN(c3nc4ccccc4s3)CC2)ccc1C(F)(F)F ZINC000409726736 855622084 /nfs/dbraw/zinc/62/20/84/855622084.db2.gz LHDSARVOVPSFML-UHFFFAOYSA-N 0 0 403.433 4.663 20 30 HIEDRN COc1ccc(Oc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cn2)cc1 ZINC000409735409 855626828 /nfs/dbraw/zinc/62/68/28/855626828.db2.gz XCLLFEAKCSIBGH-UHFFFAOYSA-N 0 0 411.421 4.192 20 30 HIEDRN C[C@H]1CCCC[C@@H]1CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000409794939 855657843 /nfs/dbraw/zinc/65/78/43/855657843.db2.gz YPPKTRUSHVPKJW-XJKSGUPXSA-N 0 0 401.561 4.650 20 30 HIEDRN C=CCN(C(=O)COc1cc(Cl)ccc1Cl)c1nc(C(=O)OCC)cs1 ZINC000409819010 855670768 /nfs/dbraw/zinc/67/07/68/855670768.db2.gz YWWFUEKXUOMTIW-UHFFFAOYSA-N 0 0 415.298 4.225 20 30 HIEDRN CC(C)(C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1ccccc1Br ZINC000409835556 855679341 /nfs/dbraw/zinc/67/93/41/855679341.db2.gz JQMZQFYFDSHHCU-UHFFFAOYSA-N 0 0 423.314 4.305 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000409864961 855694120 /nfs/dbraw/zinc/69/41/20/855694120.db2.gz PNXYIHIBWGDPMS-POZUXBRTSA-N 0 0 406.482 4.421 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2ccc(F)cc2OCCC(F)(F)F)C1=O ZINC000409877774 855702439 /nfs/dbraw/zinc/70/24/39/855702439.db2.gz CZGYXGUJCPFILU-AWEZNQCLSA-N 0 0 413.396 4.307 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)n2)c1 ZINC000409899148 855713158 /nfs/dbraw/zinc/71/31/58/855713158.db2.gz SEBLLPVWHWOYCC-UHFFFAOYSA-N 0 0 406.405 4.199 20 30 HIEDRN C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000409989807 855765887 /nfs/dbraw/zinc/76/58/87/855765887.db2.gz YYKRWSBGQYNFHQ-LJQANCHMSA-N 0 0 407.258 4.301 20 30 HIEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2c(F)cccc2Oc2ccccc2)cc1 ZINC000410036110 855789561 /nfs/dbraw/zinc/78/95/61/855789561.db2.gz ZUFVOPRATOVXJO-UHFFFAOYSA-N 0 0 424.453 4.043 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000437392258 862720784 /nfs/dbraw/zinc/72/07/84/862720784.db2.gz WOADMBZJLIDHLM-GFCCVEGCSA-N 0 0 421.284 4.127 20 30 HIEDRN C=CC[C@@H](CO)NC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC000410071333 855808153 /nfs/dbraw/zinc/80/81/53/855808153.db2.gz SABBZRLSIMDLTQ-ZDUSSCGKSA-N 0 0 404.297 4.063 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1=O ZINC000410113015 855826242 /nfs/dbraw/zinc/82/62/42/855826242.db2.gz MHPVSYNSYZRCIK-SFHVURJKSA-N 0 0 402.853 4.130 20 30 HIEDRN C=CC[C@H](CC)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000410121061 855829326 /nfs/dbraw/zinc/82/93/26/855829326.db2.gz INCDOZKIFRQPBH-AWEZNQCLSA-N 0 0 405.292 4.308 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)C1=O ZINC000410141997 855837093 /nfs/dbraw/zinc/83/70/93/855837093.db2.gz NWSKLZPLBTYOCX-IBGZPJMESA-N 0 0 417.534 4.336 20 30 HIEDRN CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410160216 855844065 /nfs/dbraw/zinc/84/40/65/855844065.db2.gz DEDKEQMEFRTRON-LLVKDONJSA-N 0 0 417.478 4.286 20 30 HIEDRN N#Cc1ccccc1OCC(=O)N1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000410168942 855848386 /nfs/dbraw/zinc/84/83/86/855848386.db2.gz BGTITQXVYZAFER-UHFFFAOYSA-N 0 0 422.378 4.323 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)c1C#N ZINC000410172221 855849617 /nfs/dbraw/zinc/84/96/17/855849617.db2.gz NCJBTDWTLAIPCP-ZDUSSCGKSA-N 0 0 409.511 4.032 20 30 HIEDRN COc1ccc2ccccc2c1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000410188022 855855113 /nfs/dbraw/zinc/85/51/13/855855113.db2.gz KJRDGEVGUMPCDG-UHFFFAOYSA-N 0 0 414.509 4.142 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)n2)c1 ZINC000410222376 855868210 /nfs/dbraw/zinc/86/82/10/855868210.db2.gz DLFAYMPSFOVJED-UHFFFAOYSA-N 0 0 408.864 4.498 20 30 HIEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000410225071 855869253 /nfs/dbraw/zinc/86/92/53/855869253.db2.gz QSPFPIJGAWJQKQ-PIGZYNQJSA-N 0 0 423.336 4.034 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000410301291 855915197 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417.509 4.259 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427452347 856826121 /nfs/dbraw/zinc/82/61/21/856826121.db2.gz ZRXGEWMTBACFSL-QVKFZJNVSA-N 0 0 406.873 4.017 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000437482716 862840886 /nfs/dbraw/zinc/84/08/86/862840886.db2.gz JWPUGBNAFDOWQQ-NHCUHLMSSA-N 0 0 403.482 4.423 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1F ZINC000437482877 862840902 /nfs/dbraw/zinc/84/09/02/862840902.db2.gz DTEKCFFJLNQKKM-UHFFFAOYSA-N 0 0 403.369 4.073 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000437483092 862841327 /nfs/dbraw/zinc/84/13/27/862841327.db2.gz QZTDRJXDDJGCAE-MLGOLLRUSA-N 0 0 413.827 4.256 20 30 HIEDRN Cc1sc(=O)n(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1C ZINC000437484323 862841966 /nfs/dbraw/zinc/84/19/66/862841966.db2.gz UWNBYBXSNIJEOE-UHFFFAOYSA-N 0 0 411.458 4.359 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1-c1ccccc1 ZINC000427513362 856846377 /nfs/dbraw/zinc/84/63/77/856846377.db2.gz GCCPUCDMVOVXEC-UHFFFAOYSA-N 0 0 403.869 4.442 20 30 HIEDRN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000427546648 856858796 /nfs/dbraw/zinc/85/87/96/856858796.db2.gz MGHNSZHFHJIYDV-LLVKDONJSA-N 0 0 423.328 4.444 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000437487269 862844397 /nfs/dbraw/zinc/84/43/97/862844397.db2.gz YSTFTKOBIZQRSK-OXQOHEQNSA-N 0 0 413.518 4.305 20 30 HIEDRN O=C(NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000427558445 856865303 /nfs/dbraw/zinc/86/53/03/856865303.db2.gz YZZZHQGHIYWQJL-LBPRGKRZSA-N 0 0 423.328 4.444 20 30 HIEDRN C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000437487241 862844468 /nfs/dbraw/zinc/84/44/68/862844468.db2.gz SYPUSXVCXLMGTD-ZDUSSCGKSA-N 0 0 409.442 4.308 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC000437489754 862847680 /nfs/dbraw/zinc/84/76/80/862847680.db2.gz JIPQHVFSQMUJRZ-NTKDMRAZSA-N 0 0 417.509 4.259 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N(CCC(F)(F)F)CC3CC3)C2)c(F)c1 ZINC000437490429 862848682 /nfs/dbraw/zinc/84/86/82/862848682.db2.gz CZVMVFFFBHZCSU-INIZCTEOSA-N 0 0 412.431 4.040 20 30 HIEDRN CCCc1c(NC(=O)C(=O)N[C@H](C)CC2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000427662828 856900852 /nfs/dbraw/zinc/90/08/52/856900852.db2.gz BFCONUSMYCLVNT-QGZVFWFLSA-N 0 0 421.545 4.110 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000437491932 862848818 /nfs/dbraw/zinc/84/88/18/862848818.db2.gz IAEDJZTXJSDBKU-UHFFFAOYSA-N 0 0 407.357 4.415 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000437498560 862854717 /nfs/dbraw/zinc/85/47/17/862854717.db2.gz OCBQEJDFYRQYQO-KSSFIOAISA-N 0 0 404.919 4.365 20 30 HIEDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)o1 ZINC000437493085 862850301 /nfs/dbraw/zinc/85/03/01/862850301.db2.gz KFUQFWNUAXFUSY-VLIAUNLRSA-N 0 0 405.502 4.052 20 30 HIEDRN 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422.504 4.156 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000430957317 858382320 /nfs/dbraw/zinc/38/23/20/858382320.db2.gz OFDYLEZISFWEJV-IHJVYAAUSA-N 0 0 422.504 4.418 20 30 HIEDRN Cc1cc(C(=O)N(CCC#N)Cc2ccco2)nn1-c1ccc(Br)cc1 ZINC000431031986 858410521 /nfs/dbraw/zinc/41/05/21/858410521.db2.gz GPBUBABAKDDSAO-UHFFFAOYSA-N 0 0 413.275 4.092 20 30 HIEDRN C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1noc(Cc2ccccc2)n1 ZINC000431211925 858505994 /nfs/dbraw/zinc/50/59/94/858505994.db2.gz VIUZOUXFBRZEQA-GFCCVEGCSA-N 0 0 413.384 4.016 20 30 HIEDRN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CSCc2ccc(C#N)cc2)cn1 ZINC000431221791 858513987 /nfs/dbraw/zinc/51/39/87/858513987.db2.gz KIFMGXJKDBFZFA-UHFFFAOYSA-N 0 0 424.957 4.407 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc(Oc3cccc(F)c3C#N)cc1)C[C@@H](C)O2 ZINC000431231206 858519082 /nfs/dbraw/zinc/51/90/82/858519082.db2.gz LAANGVOAPUBJRS-HOZJOUCCSA-N 0 0 424.472 4.288 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000431242994 858526712 /nfs/dbraw/zinc/52/67/12/858526712.db2.gz RIBWRZTWTJBFLU-MPCDZSKCSA-N 0 0 420.509 4.344 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)C[C@@H](C)O2 ZINC000431244237 858527113 /nfs/dbraw/zinc/52/71/13/858527113.db2.gz HRAJKVCJFPVDBJ-QZTZHPFYSA-N 0 0 406.482 4.149 20 30 HIEDRN N#CCCC[C@H](NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1 ZINC000431290733 858549236 /nfs/dbraw/zinc/54/92/36/858549236.db2.gz NRULITADLHVDCY-VXKWHMMOSA-N 0 0 404.514 4.084 20 30 HIEDRN CCOC(=O)c1sc([C@@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)nc1C ZINC000431292006 858550430 /nfs/dbraw/zinc/55/04/30/858550430.db2.gz ADCDKRZZKPJVEX-NVXWUHKLSA-N 0 0 414.531 4.424 20 30 HIEDRN C=CCCC[C@H](C)N1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000431299426 858553008 /nfs/dbraw/zinc/55/30/08/858553008.db2.gz MZOVGOSCPYACOR-BLLLJJGKSA-N 0 0 404.308 4.138 20 30 HIEDRN C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)[C@@H]1OCCc2sccc21 ZINC000431321163 858563666 /nfs/dbraw/zinc/56/36/66/858563666.db2.gz BEPJDGOXJQWYOP-UGSOOPFHSA-N 0 0 408.445 4.461 20 30 HIEDRN CCn1nc(C)c(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c1C ZINC000431348214 858574316 /nfs/dbraw/zinc/57/43/16/858574316.db2.gz FDMDJWLRJVDPAX-UHFFFAOYSA-N 0 0 402.498 4.346 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000431347881 858574361 /nfs/dbraw/zinc/57/43/61/858574361.db2.gz CXXGHCNBTROCCB-KRWDZBQOSA-N 0 0 418.522 4.276 20 30 HIEDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000431387992 858590524 /nfs/dbraw/zinc/59/05/24/858590524.db2.gz UBWXZTGYLVQIGN-XOBRGWDASA-N 0 0 411.502 4.210 20 30 HIEDRN C=CCN(C(=O)NCc1ccc(C2CC2)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000431398600 858595124 /nfs/dbraw/zinc/59/51/24/858595124.db2.gz FXAWOFADBIPNMJ-INIZCTEOSA-N 0 0 420.492 4.138 20 30 HIEDRN N#Cc1ccc(CCC(=O)Nc2cc(O)c(Br)cc2Br)cc1 ZINC000431453093 858623715 /nfs/dbraw/zinc/62/37/15/858623715.db2.gz ZZZZWHYKDCKESP-UHFFFAOYSA-N 0 0 424.092 4.360 20 30 HIEDRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000431458828 858626937 /nfs/dbraw/zinc/62/69/37/858626937.db2.gz QFMJWHIJZIEBOO-UHFFFAOYSA-N 0 0 415.333 4.357 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431470089 858632299 /nfs/dbraw/zinc/63/22/99/858632299.db2.gz GHMUGTWZWFYOHS-VQTJNVASSA-N 0 0 402.416 4.469 20 30 HIEDRN CN1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000431473146 858632884 /nfs/dbraw/zinc/63/28/84/858632884.db2.gz UBUSOCZOICCLKJ-FDFHNCONSA-N 0 0 412.484 4.444 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000431511684 858650273 /nfs/dbraw/zinc/65/02/73/858650273.db2.gz LNUACYMEVQUSLK-DNVCBOLYSA-N 0 0 407.539 4.416 20 30 HIEDRN C=CCC[C@H](NS(=O)(=O)CCC1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000431547391 858664479 /nfs/dbraw/zinc/66/44/79/858664479.db2.gz AKCGYRJGRRLPHN-SFHVURJKSA-N 0 0 405.482 4.449 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nc2ccccc2o1 ZINC000431595205 858681186 /nfs/dbraw/zinc/68/11/86/858681186.db2.gz JHHFXQIHOCISGX-AWEZNQCLSA-N 0 0 408.527 4.489 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c(Cl)cc(F)cc3Cl)CC2)c1 ZINC000431617263 858691775 /nfs/dbraw/zinc/69/17/75/858691775.db2.gz MJKFMCSIDAQOEF-UHFFFAOYSA-N 0 0 420.271 4.495 20 30 HIEDRN COc1cc(Cl)c(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1OC ZINC000431619485 858694061 /nfs/dbraw/zinc/69/40/61/858694061.db2.gz TWUAHZIHNYAKTE-MRXNPFEDSA-N 0 0 408.907 4.071 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000431622453 858694804 /nfs/dbraw/zinc/69/48/04/858694804.db2.gz PPSOAZQYDKWLJS-SFHVURJKSA-N 0 0 412.433 4.341 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431634586 858702551 /nfs/dbraw/zinc/70/25/51/858702551.db2.gz HMDLXENFZCVYJF-INIZCTEOSA-N 0 0 421.457 4.027 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1noc(Cc2ccccc2)n1 ZINC000431649725 858712145 /nfs/dbraw/zinc/71/21/45/858712145.db2.gz XLNAGJOEEIKABJ-WMQCIHAUSA-N 0 0 415.497 4.203 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)ccc1Cl ZINC000431696912 858745191 /nfs/dbraw/zinc/74/51/91/858745191.db2.gz NDHFDNGROWHBBW-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431737676 858776344 /nfs/dbraw/zinc/77/63/44/858776344.db2.gz GYPAWLLVTMTLNQ-OAQYLSRUSA-N 0 0 407.514 4.498 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2cnn(Cc3ccccc3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431738835 858777939 /nfs/dbraw/zinc/77/79/39/858777939.db2.gz XJUNKFHUERGKRH-AUSIDOKSSA-N 0 0 414.509 4.054 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000431751319 858788028 /nfs/dbraw/zinc/78/80/28/858788028.db2.gz PPSLQGVGWJHYEE-IBGZPJMESA-N 0 0 404.470 4.473 20 30 HIEDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000431755891 858791934 /nfs/dbraw/zinc/79/19/34/858791934.db2.gz FAUDWEYWJZSFCJ-GOSISDBHSA-N 0 0 403.507 4.393 20 30 HIEDRN C=CCN1C(=O)N(C[C@@H](c2ccccc2)C(F)(F)F)C(=O)[C@H]1Cc1ccccc1 ZINC000431760647 858797113 /nfs/dbraw/zinc/79/71/13/858797113.db2.gz XWNNFBVJESQZMN-RBUKOAKNSA-N 0 0 402.416 4.394 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000431862532 858843883 /nfs/dbraw/zinc/84/38/83/858843883.db2.gz YKXUHOGBTYOHSS-KRWDZBQOSA-N 0 0 419.506 4.159 20 30 HIEDRN COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431872408 858849159 /nfs/dbraw/zinc/84/91/59/858849159.db2.gz UCECEIJAITWEAJ-CTNGQTDRSA-N 0 0 406.530 4.256 20 30 HIEDRN N#CCCC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000431924775 858872797 /nfs/dbraw/zinc/87/27/97/858872797.db2.gz LHGXATAVJNHHHS-UNMCSNQZSA-N 0 0 419.504 4.401 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000431956950 858886803 /nfs/dbraw/zinc/88/68/03/858886803.db2.gz DXYSRRHKKYNICY-UHFFFAOYSA-N 0 0 403.486 4.484 20 30 HIEDRN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431967705 858892481 /nfs/dbraw/zinc/89/24/81/858892481.db2.gz VLNYHFGKALWHFG-IBGZPJMESA-N 0 0 413.905 4.371 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431969396 858894027 /nfs/dbraw/zinc/89/40/27/858894027.db2.gz DVYVVOOFROGQBQ-HNNXBMFYSA-N 0 0 418.522 4.423 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@]2(CCOC2)O1 ZINC000431971247 858895437 /nfs/dbraw/zinc/89/54/37/858895437.db2.gz SQFDVYADLOGNGJ-QHCPKHFHSA-N 0 0 407.470 4.152 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@]2(CCOC2)O1 ZINC000431971647 858895937 /nfs/dbraw/zinc/89/59/37/858895937.db2.gz LBBAEKOXFVGRMF-XXBNENTESA-N 0 0 407.470 4.152 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000431985711 858904426 /nfs/dbraw/zinc/90/44/26/858904426.db2.gz KFJYWVHBAUVZJQ-MRXNPFEDSA-N 0 0 423.391 4.099 20 30 HIEDRN COc1cc2c(c(OC)c1OC)CCN(c1ccc(C(F)(F)F)cc1C#N)CC2 ZINC000432048354 858950193 /nfs/dbraw/zinc/95/01/93/858950193.db2.gz QRLMCIXYYGRVIB-UHFFFAOYSA-N 0 0 406.404 4.208 20 30 HIEDRN COc1cc(CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C2CC2)ccc1OC(F)F ZINC000432061351 858960241 /nfs/dbraw/zinc/96/02/41/858960241.db2.gz HUNWOHZMFAFFLN-UHFFFAOYSA-N 0 0 415.440 4.039 20 30 HIEDRN C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Br)cn1 ZINC000432086389 858978903 /nfs/dbraw/zinc/97/89/03/858978903.db2.gz YJESAZRALMUCMB-SECBINFHSA-N 0 0 411.206 4.200 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000432103424 858991540 /nfs/dbraw/zinc/99/15/40/858991540.db2.gz RDZNRCUOTABFNI-OAHLLOKOSA-N 0 0 411.531 4.354 20 30 HIEDRN Cc1ccnc(NC2(Cc3ccc(F)cc3Br)CCOCC2)c1C#N ZINC000432160642 859023185 /nfs/dbraw/zinc/02/31/85/859023185.db2.gz ASDOBZMMPILZHK-UHFFFAOYSA-N 0 0 404.283 4.367 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C(=O)N1CCCCC1 ZINC000432202700 859044869 /nfs/dbraw/zinc/04/48/69/859044869.db2.gz LEXNCIIPIDHVCN-HNNXBMFYSA-N 0 0 410.449 4.012 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000432230208 859058608 /nfs/dbraw/zinc/05/86/08/859058608.db2.gz ZACCIQNKKMFIBN-UZUQRXQVSA-N 0 0 417.444 4.333 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccc(Br)cn2)cc1C#N ZINC000432262449 859074172 /nfs/dbraw/zinc/07/41/72/859074172.db2.gz AWWMOIWFLQCGMY-GFCCVEGCSA-N 0 0 403.280 4.386 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)c(Cl)c1 ZINC000432265540 859074997 /nfs/dbraw/zinc/07/49/97/859074997.db2.gz UVXKKNYXYZGSJN-ZDUSSCGKSA-N 0 0 400.809 4.457 20 30 HIEDRN Cc1cccc(CC2(O)CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000432265964 859075273 /nfs/dbraw/zinc/07/52/73/859075273.db2.gz CKKPQEROCZIBID-UHFFFAOYSA-N 0 0 407.514 4.255 20 30 HIEDRN Cc1cnn(-c2ccc(C)cc2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000432302653 859093436 /nfs/dbraw/zinc/09/34/36/859093436.db2.gz QULNLFFNEBSCQK-UHFFFAOYSA-N 0 0 415.497 4.436 20 30 HIEDRN CC[C@@H](c1ccccc1)N1CC(=O)N(C2CCC(Oc3ccc(C#N)cn3)CC2)C1=O ZINC000432390189 859140194 /nfs/dbraw/zinc/14/01/94/859140194.db2.gz YMMOGPUQGXRHAS-CBNMVNINSA-N 0 0 418.497 4.059 20 30 HIEDRN C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1cccc(OCc2ccccn2)c1 ZINC000432406838 859149770 /nfs/dbraw/zinc/14/97/70/859149770.db2.gz IYSKGYRCSNRTEW-QGZVFWFLSA-N 0 0 400.482 4.089 20 30 HIEDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2ccc(C(C)(C)C#N)cc2)s1 ZINC000432413124 859153025 /nfs/dbraw/zinc/15/30/25/859153025.db2.gz KINASXVLKNMMGQ-SFHVURJKSA-N 0 0 405.527 4.408 20 30 HIEDRN CCC1(Cc2ccccc2)CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000432437661 859164172 /nfs/dbraw/zinc/16/41/72/859164172.db2.gz SDUIXXYGNITNNK-UHFFFAOYSA-N 0 0 414.513 4.406 20 30 HIEDRN CC(C)[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000432470894 859180523 /nfs/dbraw/zinc/18/05/23/859180523.db2.gz VNRPFHJOEAHEQS-JOCHJYFZSA-N 0 0 403.486 4.057 20 30 HIEDRN Cc1noc(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n1 ZINC000432477206 859183515 /nfs/dbraw/zinc/18/35/15/859183515.db2.gz LRJMLBZBGXROLG-UHFFFAOYSA-N 0 0 422.388 4.045 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000432491600 859190896 /nfs/dbraw/zinc/19/08/96/859190896.db2.gz CNJIRCVJECZKMJ-UHFFFAOYSA-N 0 0 423.366 4.386 20 30 HIEDRN N#Cc1ccc([C@H](Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)C(N)=O)cc1 ZINC000432519185 859205822 /nfs/dbraw/zinc/20/58/22/859205822.db2.gz ZHIMKDHHAIYWMY-KRWDZBQOSA-N 0 0 414.252 4.086 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000432521726 859206800 /nfs/dbraw/zinc/20/68/00/859206800.db2.gz YMCBEXGBRLJYPC-UHFFFAOYSA-N 0 0 404.297 4.333 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000432544504 859218961 /nfs/dbraw/zinc/21/89/61/859218961.db2.gz FLIBVFQCDZRLCZ-KBXCAEBGSA-N 0 0 413.543 4.180 20 30 HIEDRN O=C(NCc1c(F)cc(F)c(F)c1F)Nc1cc(F)c(OC(F)F)cc1F ZINC000432567834 859230035 /nfs/dbraw/zinc/23/00/35/859230035.db2.gz QYFDVFVONLVBEY-UHFFFAOYSA-N 0 0 400.225 4.444 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000432603683 859250371 /nfs/dbraw/zinc/25/03/71/859250371.db2.gz WEKUBGCJGUGQPO-XXBNENTESA-N 0 0 407.470 4.152 20 30 HIEDRN Cc1cc(Br)cc(C)c1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000432662765 859278992 /nfs/dbraw/zinc/27/89/92/859278992.db2.gz ASJSBQZHQZXXJE-INIZCTEOSA-N 0 0 415.291 4.018 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000432664058 859279961 /nfs/dbraw/zinc/27/99/61/859279961.db2.gz DFLCPJDAMIFDJG-UHFFFAOYSA-N 0 0 412.468 4.478 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000432700010 859303310 /nfs/dbraw/zinc/30/33/10/859303310.db2.gz RCBLZDDWEWVSOH-QGZVFWFLSA-N 0 0 420.282 4.244 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1 ZINC000432701765 859303796 /nfs/dbraw/zinc/30/37/96/859303796.db2.gz CAWKEBXBJYHXFQ-JOCHJYFZSA-N 0 0 420.513 4.244 20 30 HIEDRN COc1cc(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc(OC)c1C ZINC000432721382 859318530 /nfs/dbraw/zinc/31/85/30/859318530.db2.gz WFQHERLISFHGSE-UHFFFAOYSA-N 0 0 409.364 4.469 20 30 HIEDRN N#CCCn1cc(CNc2ncc(Cc3ccc(F)cc3)s2)c(-c2ccncc2)n1 ZINC000432728530 859323147 /nfs/dbraw/zinc/32/31/47/859323147.db2.gz CKFHJLAOKWIVFU-UHFFFAOYSA-N 0 0 418.501 4.657 20 30 HIEDRN C[C@@H](CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(Br)cc1 ZINC000432743669 859331278 /nfs/dbraw/zinc/33/12/78/859331278.db2.gz XTDZNABIJQFERD-AWEZNQCLSA-N 0 0 424.302 4.093 20 30 HIEDRN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000432754317 859336127 /nfs/dbraw/zinc/33/61/27/859336127.db2.gz KJZVUHKBOBPACW-HXUWFJFHSA-N 0 0 406.486 4.119 20 30 HIEDRN CCOc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C(F)(F)F)c1 ZINC000432760558 859340439 /nfs/dbraw/zinc/34/04/39/859340439.db2.gz OHUINPIYTPLAMS-OAHLLOKOSA-N 0 0 420.391 4.056 20 30 HIEDRN Cc1nc2ccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)cc2s1 ZINC000432761957 859341835 /nfs/dbraw/zinc/34/18/35/859341835.db2.gz CGYKUOLYLLQUTP-UHFFFAOYSA-N 0 0 408.302 4.040 20 30 HIEDRN CSCCc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432766120 859345509 /nfs/dbraw/zinc/34/55/09/859345509.db2.gz FWPLBPVVVFAPKU-UHFFFAOYSA-N 0 0 411.346 4.027 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)cc1Br ZINC000432767440 859348070 /nfs/dbraw/zinc/34/80/70/859348070.db2.gz UCJAPBZZKOHZHB-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1 ZINC000432820551 859374345 /nfs/dbraw/zinc/37/43/45/859374345.db2.gz ZTKHFVABUYNZEK-UHFFFAOYSA-N 0 0 415.518 4.377 20 30 HIEDRN COCC1(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCOCC1 ZINC000432844074 859384904 /nfs/dbraw/zinc/38/49/04/859384904.db2.gz BAVRCNQFWWKWJM-UHFFFAOYSA-N 0 0 423.513 4.010 20 30 HIEDRN COc1ccncc1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000432846003 859384971 /nfs/dbraw/zinc/38/49/71/859384971.db2.gz HRGIOZVKJVIDPG-UHFFFAOYSA-N 0 0 404.426 4.084 20 30 HIEDRN C=CCn1c(Sc2ncnc3c(OC)cc(OC)cc23)nnc1-c1cccs1 ZINC000432847233 859386349 /nfs/dbraw/zinc/38/63/49/859386349.db2.gz NUMKVEKXIPIHSM-UHFFFAOYSA-N 0 0 411.512 4.304 20 30 HIEDRN C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432859225 859392555 /nfs/dbraw/zinc/39/25/55/859392555.db2.gz MRWHEWGVPQGJRX-GFCCVEGCSA-N 0 0 419.300 4.449 20 30 HIEDRN Cc1csc(-c2cccc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2)n1 ZINC000432861169 859393203 /nfs/dbraw/zinc/39/32/03/859393203.db2.gz WGQSVPQYXIAXEK-GOSISDBHSA-N 0 0 405.483 4.070 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000432886206 859408824 /nfs/dbraw/zinc/40/88/24/859408824.db2.gz NUZOYSVUQDOKEO-IIBYNOLFSA-N 0 0 410.539 4.451 20 30 HIEDRN CCCOc1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000432899965 859417407 /nfs/dbraw/zinc/41/74/07/859417407.db2.gz AJBWCUMPVBFWTR-INIZCTEOSA-N 0 0 400.866 4.081 20 30 HIEDRN CC(C)[C@H]1N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC12CCC2 ZINC000432911987 859425905 /nfs/dbraw/zinc/42/59/05/859425905.db2.gz UWFNPLSBCOEHQL-MRXNPFEDSA-N 0 0 413.572 4.744 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000467617485 881421511 /nfs/dbraw/zinc/42/15/11/881421511.db2.gz OCRRRWVFJIESLZ-UHFFFAOYSA-N 0 0 423.296 4.212 20 30 HIEDRN N#Cc1ccc(NC(=O)NCC2(CO)CC(c3ccccc3)C2)cc1C(F)(F)F ZINC000433003998 859472902 /nfs/dbraw/zinc/47/29/02/859472902.db2.gz CHSGSJYFANJYMP-UHFFFAOYSA-N 0 0 403.404 4.255 20 30 HIEDRN N#CCCC[C@@H](NCc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000433013597 859478316 /nfs/dbraw/zinc/47/83/16/859478316.db2.gz YHIJIVZRJPYXIF-LJQANCHMSA-N 0 0 423.517 4.132 20 30 HIEDRN N#CCCC[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000433016793 859479732 /nfs/dbraw/zinc/47/97/32/859479732.db2.gz URRGVVYSJLXDGW-GOSISDBHSA-N 0 0 400.408 4.206 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)C2)nc1 ZINC000433036725 859492996 /nfs/dbraw/zinc/49/29/96/859492996.db2.gz YLOFOOYJVLLSHB-INIZCTEOSA-N 0 0 404.392 4.133 20 30 HIEDRN CC(C)C[C@H]1C(=O)NCCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000433131198 859533530 /nfs/dbraw/zinc/53/35/30/859533530.db2.gz CFRVKENMDWSYBE-NRFANRHFSA-N 0 0 406.486 4.119 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(N2CCOCC2)c1 ZINC000433161993 859547973 /nfs/dbraw/zinc/54/79/73/859547973.db2.gz SPHAYJDYYFKNJV-QGZVFWFLSA-N 0 0 410.543 4.239 20 30 HIEDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000433175573 859555364 /nfs/dbraw/zinc/55/53/64/859555364.db2.gz MEWTUOXNRPHOCO-LJQANCHMSA-N 0 0 416.485 4.083 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000433216881 859572701 /nfs/dbraw/zinc/57/27/01/859572701.db2.gz ZKALWAWRPUDGBQ-INIZCTEOSA-N 0 0 400.429 4.198 20 30 HIEDRN COc1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)cc1OCc1ccncc1 ZINC000433217698 859572751 /nfs/dbraw/zinc/57/27/51/859572751.db2.gz BRAUZUWRYJNDJH-FQEVSTJZSA-N 0 0 401.466 4.380 20 30 HIEDRN C=CCNc1ncc(C(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)s1 ZINC000433244608 859587377 /nfs/dbraw/zinc/58/73/77/859587377.db2.gz JOKZFUIJPVYRKA-UHFFFAOYSA-N 0 0 409.511 4.719 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN(C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000433246103 859588722 /nfs/dbraw/zinc/58/87/22/859588722.db2.gz YGSFWWJAERRXIB-UHFFFAOYSA-N 0 0 403.885 4.256 20 30 HIEDRN COC[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CCCO1 ZINC000433248673 859590719 /nfs/dbraw/zinc/59/07/19/859590719.db2.gz TUZWJVGSGJRNPB-JBACZVJFSA-N 0 0 413.905 4.311 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000433265919 859603006 /nfs/dbraw/zinc/60/30/06/859603006.db2.gz PAQFYUVBRHCJBX-UHFFFAOYSA-N 0 0 407.518 4.290 20 30 HIEDRN Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)cc1Cl ZINC000433301454 859626104 /nfs/dbraw/zinc/62/61/04/859626104.db2.gz VQJHVCYYAWNHDH-IBGZPJMESA-N 0 0 424.932 4.097 20 30 HIEDRN C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N(C)CC(C)(C)C#N ZINC000433306022 859629338 /nfs/dbraw/zinc/62/93/38/859629338.db2.gz PLXHMVPTWABQJA-BEFAXECRSA-N 0 0 412.921 4.481 20 30 HIEDRN Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)nnn1CC1CCCC1 ZINC000433376114 859664531 /nfs/dbraw/zinc/66/45/31/859664531.db2.gz QUZKOVYIVVMJBC-UHFFFAOYSA-N 0 0 415.497 4.480 20 30 HIEDRN C=CCn1c(SCc2nc3oc(C)c(C)c3c(N)n2)nnc1-c1cccc(OC)c1 ZINC000433391245 859672142 /nfs/dbraw/zinc/67/21/42/859672142.db2.gz RCRXZOXGYBLZPU-UHFFFAOYSA-N 0 0 422.514 4.167 20 30 HIEDRN Cc1ccc([C@@]2(C)CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)cc1 ZINC000433458935 859712729 /nfs/dbraw/zinc/71/27/29/859712729.db2.gz VOZOGJOMALIEKO-IBGZPJMESA-N 0 0 408.445 4.238 20 30 HIEDRN Cc1ccc([C@H](NCC#Cc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000433476327 859720769 /nfs/dbraw/zinc/72/07/69/859720769.db2.gz AXZSJNZRJWHRPE-DEOSSOPVSA-N 0 0 407.510 4.268 20 30 HIEDRN CC(C)S(=O)(=O)Cc1cccc(NCC#Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000433489289 859728180 /nfs/dbraw/zinc/72/81/80/859728180.db2.gz YEUGCHPRNVBRQY-UHFFFAOYSA-N 0 0 411.445 4.372 20 30 HIEDRN CCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC000433511332 859744705 /nfs/dbraw/zinc/74/47/05/859744705.db2.gz SNHLJBRNQUMKHL-MRXNPFEDSA-N 0 0 407.367 4.312 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000433518732 859749514 /nfs/dbraw/zinc/74/95/14/859749514.db2.gz IGVMVIXZUVHQCT-GFCCVEGCSA-N 0 0 407.367 4.264 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000433524308 859755213 /nfs/dbraw/zinc/75/52/13/859755213.db2.gz ICOLJKKLNLTSKZ-QGZVFWFLSA-N 0 0 406.244 4.306 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c(F)c1 ZINC000433526694 859756413 /nfs/dbraw/zinc/75/64/13/859756413.db2.gz WHPDKDRKKOGCDF-SFHVURJKSA-N 0 0 413.861 4.257 20 30 HIEDRN CCc1cccc2c(C3CCN(C(=O)C(=O)Nc4ccc(C#N)cc4F)CC3)c[nH]c21 ZINC000433526179 859756861 /nfs/dbraw/zinc/75/68/61/859756861.db2.gz ADLVMTNPLVUUKJ-UHFFFAOYSA-N 0 0 418.472 4.086 20 30 HIEDRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433531025 859759182 /nfs/dbraw/zinc/75/91/82/859759182.db2.gz USMOTJVWTACUIR-QGZVFWFLSA-N 0 0 401.441 4.426 20 30 HIEDRN COc1cc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1Cl ZINC000433604327 859805612 /nfs/dbraw/zinc/80/56/12/859805612.db2.gz QTLUJAVYEZXRQP-OAHLLOKOSA-N 0 0 402.857 4.150 20 30 HIEDRN Cc1ccc(N(CCCC(C)(C)C#N)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000433613401 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HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000435469678 860809319 /nfs/dbraw/zinc/80/93/19/860809319.db2.gz LCLAFWUIQCRVOT-ZIFCJYIRSA-N 0 0 407.539 4.281 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2Cl)C(C)C)cc1C#N ZINC000435481167 860814736 /nfs/dbraw/zinc/81/47/36/860814736.db2.gz CPDKPJZGVUQIED-FQEVSTJZSA-N 0 0 413.905 4.451 20 30 HIEDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435485735 860817026 /nfs/dbraw/zinc/81/70/26/860817026.db2.gz BZDVDIVNWLQYAN-OAHLLOKOSA-N 0 0 405.454 4.216 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1C#N ZINC000435488378 860818739 /nfs/dbraw/zinc/81/87/39/860818739.db2.gz ZJNZTUOSLCQSLM-JOCHJYFZSA-N 0 0 405.498 4.332 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nccn1CCc1ccccc1 ZINC000435510821 860829447 /nfs/dbraw/zinc/82/94/47/860829447.db2.gz JJBMNWDCGZPNAU-UHFFFAOYSA-N 0 0 404.514 4.032 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1C#N ZINC000435532258 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4.170 20 30 HIEDRN COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000467770621 881590338 /nfs/dbraw/zinc/59/03/38/881590338.db2.gz RLPVQUKDDJFITC-KRWDZBQOSA-N 0 0 408.502 4.018 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@@H](c2nccn2C)c2ccccc2F)cc1C#N ZINC000435565544 860887136 /nfs/dbraw/zinc/88/71/36/860887136.db2.gz SZUVVHVFVWPBBO-HXUWFJFHSA-N 0 0 407.449 4.129 20 30 HIEDRN C=CCC[C@@H](NC(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000435595470 860902512 /nfs/dbraw/zinc/90/25/12/860902512.db2.gz ZTPJXISVVOWCLV-LJQANCHMSA-N 0 0 418.501 4.377 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNc1cc(C(=O)OC)nc2ccc(Br)cc21 ZINC000435602854 860905919 /nfs/dbraw/zinc/90/59/19/860905919.db2.gz GCHZGWNLHGTIAF-KPZWWZAWSA-N 0 0 405.292 4.177 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@H]1CCOC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000435650509 860933987 /nfs/dbraw/zinc/93/39/87/860933987.db2.gz ICKLQEMEOQAYLN-PXNSSMCTSA-N 0 0 409.482 4.186 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(Oc2ccccc2)cc1 ZINC000435649284 860934085 /nfs/dbraw/zinc/93/40/85/860934085.db2.gz ZAJGITRJZVYHLU-OAHLLOKOSA-N 0 0 403.413 4.306 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)Cc1nc2ccccc2c(=O)n1C ZINC000435679716 860961469 /nfs/dbraw/zinc/96/14/69/860961469.db2.gz BSSOOBHFYDLYSN-UHFFFAOYSA-N 0 0 416.294 4.023 20 30 HIEDRN COc1cccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1[N+](=O)[O-] ZINC000435714318 860998366 /nfs/dbraw/zinc/99/83/66/860998366.db2.gz JWOYKSFNFKSTQE-UHFFFAOYSA-N 0 0 403.394 4.306 20 30 HIEDRN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000435725038 861008431 /nfs/dbraw/zinc/00/84/31/861008431.db2.gz WGBWYLVYENSTMP-UHFFFAOYSA-N 0 0 419.934 4.239 20 30 HIEDRN Cc1nnc(Sc2ccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)c(C)c2)s1 ZINC000435735625 861016699 /nfs/dbraw/zinc/01/66/99/861016699.db2.gz OPJIGZWTEZYZLO-UHFFFAOYSA-N 0 0 416.553 4.287 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc(OC)ccc1OC(F)F)c1ccccc1 ZINC000435735137 861016717 /nfs/dbraw/zinc/01/67/17/861016717.db2.gz JZRVBUYDVBHVNP-INIZCTEOSA-N 0 0 404.413 4.059 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000435738986 861020622 /nfs/dbraw/zinc/02/06/22/861020622.db2.gz VIGQNGVQWPCHTI-INIZCTEOSA-N 0 0 406.404 4.390 20 30 HIEDRN Cc1c(C)c(C)c(CNC(=O)C(=O)Nc2ccccc2SCCC#N)c(C)c1C ZINC000435742440 861023904 /nfs/dbraw/zinc/02/39/04/861023904.db2.gz NKTLJYNJJRBZRV-UHFFFAOYSA-N 0 0 409.555 4.489 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1)c1ccccc1 ZINC000435744308 861025759 /nfs/dbraw/zinc/02/57/59/861025759.db2.gz DXZLKMZXXUUEDH-HSZRJFAPSA-N 0 0 415.493 4.423 20 30 HIEDRN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000435746967 861027389 /nfs/dbraw/zinc/02/73/89/861027389.db2.gz CMCOLKSIFJJUQU-FGZHOGPDSA-N 0 0 419.525 4.241 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 ZINC000435746958 861027521 /nfs/dbraw/zinc/02/75/21/861027521.db2.gz CHZISBBXRIMGCT-MRXNPFEDSA-N 0 0 405.267 4.350 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1 ZINC000435749100 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Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000437872375 863232687 /nfs/dbraw/zinc/23/26/87/863232687.db2.gz ZTLJVAKZVIHSDO-IRLDBZIGSA-N 0 0 402.498 4.191 20 30 HIEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000437877676 863239047 /nfs/dbraw/zinc/23/90/47/863239047.db2.gz ZPMVCFYMIZAVNV-HXUWFJFHSA-N 0 0 406.935 4.499 20 30 HIEDRN CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000437884726 863248606 /nfs/dbraw/zinc/24/86/06/863248606.db2.gz XIICIVJMSAIOKZ-XZOQPEGZSA-N 0 0 405.498 4.066 20 30 HIEDRN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000437886559 863250265 /nfs/dbraw/zinc/25/02/65/863250265.db2.gz CYVNHJIHUBXVTP-INIZCTEOSA-N 0 0 408.502 4.065 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000467814806 881642515 /nfs/dbraw/zinc/64/25/15/881642515.db2.gz CABCGTITRQMJGU-IBGZPJMESA-N 0 0 422.834 4.493 20 30 HIEDRN CCN(Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1)C(C)=O ZINC000437896491 863266595 /nfs/dbraw/zinc/26/65/95/863266595.db2.gz AGGNICSYKJJBBN-DHIUTWEWSA-N 0 0 404.514 4.359 20 30 HIEDRN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000437911628 863288520 /nfs/dbraw/zinc/28/85/20/863288520.db2.gz CCOUPORRSUVMFB-UHFFFAOYSA-N 0 0 415.453 4.400 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000437914896 863292266 /nfs/dbraw/zinc/29/22/66/863292266.db2.gz KTOSOFWOOGFFAT-UHFFFAOYSA-N 0 0 404.392 4.484 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)CSCc3cscn3)s2)cc1 ZINC000437935212 863311082 /nfs/dbraw/zinc/31/10/82/863311082.db2.gz SMGLGEAGPFGPQR-UHFFFAOYSA-N 0 0 419.582 4.030 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000437937108 863313783 /nfs/dbraw/zinc/31/37/83/863313783.db2.gz VQPAMYHQMQJNCU-IGNZVWTISA-N 0 0 417.308 4.197 20 30 HIEDRN CCO[C@H](C)c1nc(CN(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)cs1 ZINC000437947302 863322109 /nfs/dbraw/zinc/32/21/09/863322109.db2.gz MTFVGHZNQNBPLK-LLVKDONJSA-N 0 0 410.446 4.378 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437951517 863324444 /nfs/dbraw/zinc/32/44/44/863324444.db2.gz FYWJOLHMTYEWDK-WMLDXEAASA-N 0 0 412.333 4.330 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C ZINC000437957687 863329238 /nfs/dbraw/zinc/32/92/38/863329238.db2.gz RETNRVYESGPGGI-CQSZACIVSA-N 0 0 413.449 4.128 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCOC1CCOCC1 ZINC000437958431 863330549 /nfs/dbraw/zinc/33/05/49/863330549.db2.gz CLSHQXSPJWAYQC-UHFFFAOYSA-N 0 0 423.513 4.153 20 30 HIEDRN CC(C)[C@H](CCO)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437966953 863336874 /nfs/dbraw/zinc/33/68/74/863336874.db2.gz XTDATHASODHQJV-IBGZPJMESA-N 0 0 401.894 4.319 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](CC)Cc1ccccc1Br ZINC000437986646 863351550 /nfs/dbraw/zinc/35/15/50/863351550.db2.gz NEESRVADGFOPKS-LMMKCTJWSA-N 0 0 409.368 4.393 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000437986672 863351814 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Cc1cc2occ(CC(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2cc1C ZINC000438620780 864045539 /nfs/dbraw/zinc/04/55/39/864045539.db2.gz NTQGJCINQODFMX-UHFFFAOYSA-N 0 0 403.482 4.365 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000438621344 864047224 /nfs/dbraw/zinc/04/72/24/864047224.db2.gz RYPDTEAMRWXGOV-BHUNQDJPSA-N 0 0 413.880 4.356 20 30 HIEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000467867527 881722479 /nfs/dbraw/zinc/72/24/79/881722479.db2.gz XIQUIDVPCHQVBA-QFIPXVFZSA-N 0 0 414.527 4.192 20 30 HIEDRN CC(C)CN(C)c1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438628649 864057556 /nfs/dbraw/zinc/05/75/56/864057556.db2.gz WAIZHUPRUGHZAO-UHFFFAOYSA-N 0 0 406.530 4.165 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000438634203 864064909 /nfs/dbraw/zinc/06/49/09/864064909.db2.gz XVWIPBLOIBCNEB-UHFFFAOYSA-N 0 0 404.297 4.309 20 30 HIEDRN Cn1ccnc1[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000438637636 864071754 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C=CCOc1ccc(CN(C(=O)CCc2c(C)nc3ncnn3c2C)C(C)(C)C)cc1 ZINC000467871321 881728649 /nfs/dbraw/zinc/72/86/49/881728649.db2.gz LEUHVOACUOWBRU-UHFFFAOYSA-N 0 0 421.545 4.066 20 30 HIEDRN COC(=O)CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000438663016 864112909 /nfs/dbraw/zinc/11/29/09/864112909.db2.gz BOQRZPKHGPFASQ-UHFFFAOYSA-N 0 0 411.433 4.297 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 ZINC000438665883 864118028 /nfs/dbraw/zinc/11/80/28/864118028.db2.gz OKIRGFJKXYEWKF-UHFFFAOYSA-N 0 0 413.905 4.472 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1F ZINC000438670118 864130010 /nfs/dbraw/zinc/13/00/10/864130010.db2.gz VIYGMPZLWVMCNQ-SIKLNZKXSA-N 0 0 403.413 4.269 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467872410 881731713 /nfs/dbraw/zinc/73/17/13/881731713.db2.gz TWQANOBVZWDIAW-UHFFFAOYSA-N 0 0 401.869 4.063 20 30 HIEDRN O=C(NC1CC1)c1ccc(CN(CC#Cc2ccc(F)cc2)Cc2ccco2)cc1 ZINC000438691520 864158101 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HIEDRN CCCc1c(NS(=O)(=O)C[C@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000438830438 864324374 /nfs/dbraw/zinc/32/43/74/864324374.db2.gz OCOSOVNWGLLSRC-KRWDZBQOSA-N 0 0 408.527 4.242 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000438832602 864326797 /nfs/dbraw/zinc/32/67/97/864326797.db2.gz CSBOCMCQHJKLIS-SFHVURJKSA-N 0 0 402.951 4.274 20 30 HIEDRN COc1ccccc1NC(=O)C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000438836794 864328338 /nfs/dbraw/zinc/32/83/38/864328338.db2.gz HGUHJRTZAYRBBG-HXUWFJFHSA-N 0 0 420.513 4.100 20 30 HIEDRN Cc1ccc(C(=O)NC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)s1 ZINC000438841501 864335329 /nfs/dbraw/zinc/33/53/29/864335329.db2.gz ZCQRQHMYFWNTSL-IBGZPJMESA-N 0 0 410.543 4.005 20 30 HIEDRN N#CCC[C@H](NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000438846754 864342552 /nfs/dbraw/zinc/34/25/52/864342552.db2.gz KSUJTWXOQIKTQF-QFIPXVFZSA-N 0 0 404.514 4.157 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000438852964 864348066 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HIEDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000439082856 864531121 /nfs/dbraw/zinc/53/11/21/864531121.db2.gz FKBLWRHHXSYKND-JOQOYGCGSA-N 0 0 407.301 4.229 20 30 HIEDRN C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000439129321 864564551 /nfs/dbraw/zinc/56/45/51/864564551.db2.gz JEWYRVVBJLMHIK-LLVKDONJSA-N 0 0 409.330 4.010 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000439154438 864586067 /nfs/dbraw/zinc/58/60/67/864586067.db2.gz NWOLVLNBZXRELQ-LJQANCHMSA-N 0 0 407.539 4.255 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000439227740 864645457 /nfs/dbraw/zinc/64/54/57/864645457.db2.gz ZKYHORJGCKOJPS-MRXNPFEDSA-N 0 0 423.538 4.164 20 30 HIEDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000439236299 864652339 /nfs/dbraw/zinc/65/23/39/864652339.db2.gz KFLOFHYTHNVQPP-OAQYLSRUSA-N 0 0 403.429 4.355 20 30 HIEDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1C ZINC000467921402 881793000 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4.026 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000439490597 864850602 /nfs/dbraw/zinc/85/06/02/864850602.db2.gz GQIFNXXWNOEPFJ-WJXFIBLPSA-N 0 0 403.526 4.275 20 30 HIEDRN C=CC[C@H](CC)NC(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000439506788 864856865 /nfs/dbraw/zinc/85/68/65/864856865.db2.gz RUWSFKXTAJLASD-INIZCTEOSA-N 0 0 408.470 4.415 20 30 HIEDRN COc1ccccc1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000439534638 864868488 /nfs/dbraw/zinc/86/84/88/864868488.db2.gz FFKYAFREYNCECN-UHFFFAOYSA-N 0 0 415.449 4.032 20 30 HIEDRN COc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(C#N)cc1OC(F)F ZINC000439546621 864874436 /nfs/dbraw/zinc/87/44/36/864874436.db2.gz WLITYCLAWQOIPU-CYBMUJFWSA-N 0 0 406.454 4.279 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2NCc2ccc(C#N)cc2OC(F)F)C[C@H](C)O1 ZINC000439548161 864875109 /nfs/dbraw/zinc/87/51/09/864875109.db2.gz KLEDPRFDNBZCFM-IYBDPMFKSA-N 0 0 401.457 4.381 20 30 HIEDRN CCN(CC)C(=O)COc1cccc(NCc2ccc(C#N)cc2OC(F)F)c1 ZINC000439549272 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N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000443347894 867919199 /nfs/dbraw/zinc/91/91/99/867919199.db2.gz ZDGXTDHAEVUQNC-UHFFFAOYSA-N 0 0 417.412 4.118 20 30 HIEDRN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000443356651 867924379 /nfs/dbraw/zinc/92/43/79/867924379.db2.gz YAIDDFSJZXWQDG-HSZRJFAPSA-N 0 0 405.523 4.370 20 30 HIEDRN CC(C)(C)S(=O)(=O)Cc1ccc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000443444943 868031489 /nfs/dbraw/zinc/03/14/89/868031489.db2.gz LMNITKUWDVSWNA-UHFFFAOYSA-N 0 0 424.482 4.472 20 30 HIEDRN COc1ccccc1CN(C[C@H]1CCCO1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443507599 868073457 /nfs/dbraw/zinc/07/34/57/868073457.db2.gz BZKNKDPVIVJUQV-LJQANCHMSA-N 0 0 418.453 4.209 20 30 HIEDRN N#Cc1nc(N2CCO[C@H](c3cccc(Br)c3)C2)ccc1C(F)(F)F ZINC000443509046 868075516 /nfs/dbraw/zinc/07/55/16/868075516.db2.gz KDCIRYGKFVVXBM-HNNXBMFYSA-N 0 0 412.209 4.312 20 30 HIEDRN CC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1C ZINC000443532131 868090445 /nfs/dbraw/zinc/09/04/45/868090445.db2.gz MUXCSEOJGNTZLI-HNNXBMFYSA-N 0 0 420.494 4.033 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000443546475 868101852 /nfs/dbraw/zinc/10/18/52/868101852.db2.gz AILAKLMJDCJUEA-JOCHJYFZSA-N 0 0 410.562 4.050 20 30 HIEDRN C[C@@H]1CN(C(=O)c2ccc(NCC#Cc3ccc(C(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000443544937 868102674 /nfs/dbraw/zinc/10/26/74/868102674.db2.gz XJROFKMGFAQXQT-CALCHBBNSA-N 0 0 416.443 4.418 20 30 HIEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CCOc1ccc(Cl)cc1Br ZINC000443553240 868108738 /nfs/dbraw/zinc/10/87/38/868108738.db2.gz PHANVRZMUADVCE-UHFFFAOYSA-N 0 0 418.678 4.072 20 30 HIEDRN Cc1ccc(Oc2ccccc2NC(=O)Cn2cc(C#N)c(=O)c3nc(C)ccc32)cc1 ZINC000443554193 868109067 /nfs/dbraw/zinc/10/90/67/868109067.db2.gz TXKAPODSPXAUNN-UHFFFAOYSA-N 0 0 424.460 4.316 20 30 HIEDRN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)c(OC)c1 ZINC000468249274 882155989 /nfs/dbraw/zinc/15/59/89/882155989.db2.gz DUNIOFIVTWUVLY-HXUWFJFHSA-N 0 0 403.438 4.208 20 30 HIEDRN CC1(C)CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000443654418 868253567 /nfs/dbraw/zinc/25/35/67/868253567.db2.gz OLMSTUHCVUFPFL-HXUWFJFHSA-N 0 0 405.498 4.161 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)on2)c1 ZINC000468257747 882170474 /nfs/dbraw/zinc/17/04/74/882170474.db2.gz VVFJWCNZZNQKCY-UHFFFAOYSA-N 0 0 415.371 4.222 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443726211 868307493 /nfs/dbraw/zinc/30/74/93/868307493.db2.gz VRDFCZHTLANQDW-LBPRGKRZSA-N 0 0 419.865 4.060 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1Cl ZINC000443739489 868317811 /nfs/dbraw/zinc/31/78/11/868317811.db2.gz YDSOAEZTVYOENT-ZDUSSCGKSA-N 0 0 419.865 4.060 20 30 HIEDRN C=CC[C@H]1N(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CCCC1(C)C ZINC000443854995 868384705 /nfs/dbraw/zinc/38/47/05/868384705.db2.gz DUFSJTFLOWDLSJ-OAQYLSRUSA-N 0 0 417.509 4.085 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1 ZINC000443854647 868385728 /nfs/dbraw/zinc/38/57/28/868385728.db2.gz OZRBUQAEKHHKEQ-UHFFFAOYSA-N 0 0 419.572 4.168 20 30 HIEDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000443878272 868409808 /nfs/dbraw/zinc/40/98/08/868409808.db2.gz AWEOVDXLVUFMGV-LLVKDONJSA-N 0 0 408.401 4.483 20 30 HIEDRN C=CCNC(=O)c1ccc(N[C@H](c2ccc(OC)cc2)c2ccccc2OC)nc1 ZINC000443891378 868428539 /nfs/dbraw/zinc/42/85/39/868428539.db2.gz GCWXSTALOKXUEF-HSZRJFAPSA-N 0 0 403.482 4.216 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)c1 ZINC000443928048 868465927 /nfs/dbraw/zinc/46/59/27/868465927.db2.gz MRMKFWZNHPMFQU-OAQYLSRUSA-N 0 0 424.460 4.371 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nc3ccc(F)cn3n2)c1 ZINC000443933881 868472056 /nfs/dbraw/zinc/47/20/56/868472056.db2.gz GSSUOYXIZPOOEX-UHFFFAOYSA-N 0 0 407.792 4.438 20 30 HIEDRN CC(C)NC(=O)Nc1ccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000443940887 868477122 /nfs/dbraw/zinc/47/71/22/868477122.db2.gz IYZNJLFHHYOWPZ-UHFFFAOYSA-N 0 0 417.513 4.405 20 30 HIEDRN Cc1cc(C(=O)Nc2cc(F)cc(F)c2Br)nn1-c1cccc(C#N)c1 ZINC000468281360 882204048 /nfs/dbraw/zinc/20/40/48/882204048.db2.gz KPXOUAVMKYDAIP-UHFFFAOYSA-N 0 0 417.213 4.345 20 30 HIEDRN CC(=O)Nc1ccc(-c2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000444002856 868524695 /nfs/dbraw/zinc/52/46/95/868524695.db2.gz KRWJUJSPVSBJNM-UHFFFAOYSA-N 0 0 402.479 4.310 20 30 HIEDRN C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc2c(c1)CCC(=O)N2 ZINC000444032909 868567847 /nfs/dbraw/zinc/56/78/47/868567847.db2.gz LPOKIOBFXLDZPG-MRXNPFEDSA-N 0 0 400.482 4.321 20 30 HIEDRN Cc1cc(C)n(-c2ccc(CNC(=O)c3cn(CCCC#N)c4ccccc34)cn2)n1 ZINC000444036908 868574660 /nfs/dbraw/zinc/57/46/60/868574660.db2.gz UTCMZECKSDQYNR-UHFFFAOYSA-N 0 0 412.497 4.073 20 30 HIEDRN N#CCCCn1cc(C(=O)Nc2ccccc2N2CCC(O)CC2)c2ccccc21 ZINC000444039955 868577625 /nfs/dbraw/zinc/57/76/25/868577625.db2.gz OJLJIJITTKAPIL-UHFFFAOYSA-N 0 0 402.498 4.158 20 30 HIEDRN CN(CCC#N)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F ZINC000444041294 868580707 /nfs/dbraw/zinc/58/07/07/868580707.db2.gz YYMCPTNKIKVQHB-UHFFFAOYSA-N 0 0 408.355 4.474 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n(-c2ccc(C)nn2)n1 ZINC000444077195 868603999 /nfs/dbraw/zinc/60/39/99/868603999.db2.gz RPOYRUDSQIQETN-UHFFFAOYSA-N 0 0 424.464 4.390 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000444144319 868638118 /nfs/dbraw/zinc/63/81/18/868638118.db2.gz QZSHMSPIIGRFQY-UHFFFAOYSA-N 0 0 417.431 4.475 20 30 HIEDRN CCNC(=O)N1CCc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc21 ZINC000444241991 868690707 /nfs/dbraw/zinc/69/07/07/868690707.db2.gz GUGDFRKSLVBMJV-UHFFFAOYSA-N 0 0 415.497 4.289 20 30 HIEDRN CCO[C@@H](C)c1nc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cs1 ZINC000444252307 868699620 /nfs/dbraw/zinc/69/96/20/868699620.db2.gz ZRIAXLUVHDIMTM-ZDUSSCGKSA-N 0 0 418.588 4.123 20 30 HIEDRN N#CCCCn1cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000444253580 868699877 /nfs/dbraw/zinc/69/98/77/868699877.db2.gz YHQDKLFVQORLNM-HXUWFJFHSA-N 0 0 420.900 4.134 20 30 HIEDRN COC(=O)[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1ccc(C)c(C)c1 ZINC000444365021 868790654 /nfs/dbraw/zinc/79/06/54/868790654.db2.gz SYUMWKMOTGJHFF-QFIPXVFZSA-N 0 0 403.482 4.206 20 30 HIEDRN N#CCCCn1cc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000444372349 868798992 /nfs/dbraw/zinc/79/89/92/868798992.db2.gz QLUINIUNRLPPEF-YWZLYKJASA-N 0 0 407.436 4.158 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000444391010 868805225 /nfs/dbraw/zinc/80/52/25/868805225.db2.gz YAADTQRSRRQYNS-AWEZNQCLSA-N 0 0 418.419 4.401 20 30 HIEDRN Cc1onc(CC(=O)N[C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1C#N ZINC000444437696 868828400 /nfs/dbraw/zinc/82/84/00/868828400.db2.gz MJJCXYZTKCRBFQ-CQSZACIVSA-N 0 0 405.298 4.226 20 30 HIEDRN Cc1n[nH]cc1-c1nnc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)s1 ZINC000444474982 868844558 /nfs/dbraw/zinc/84/45/58/868844558.db2.gz JCAJLUIWXGCUKI-UHFFFAOYSA-N 0 0 402.439 4.153 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000444526069 868868253 /nfs/dbraw/zinc/86/82/53/868868253.db2.gz KAVTYXRVHAGOHI-UHFFFAOYSA-N 0 0 408.864 4.308 20 30 HIEDRN CC(C)(C#N)CCCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000444602176 868899113 /nfs/dbraw/zinc/89/91/13/868899113.db2.gz YUITWFJUXUVSIQ-UHFFFAOYSA-N 0 0 418.390 4.020 20 30 HIEDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000444633901 868921923 /nfs/dbraw/zinc/92/19/23/868921923.db2.gz FOCWXITWTAAMLG-GOSISDBHSA-N 0 0 405.502 4.044 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000444637421 868923383 /nfs/dbraw/zinc/92/33/83/868923383.db2.gz PNEUKQRGDHKYKG-UHFFFAOYSA-N 0 0 405.502 4.046 20 30 HIEDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000444642867 868927435 /nfs/dbraw/zinc/92/74/35/868927435.db2.gz XYGIXGGTJCZZOP-UHFFFAOYSA-N 0 0 419.529 4.210 20 30 HIEDRN COC(=O)[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(O)c1 ZINC000444669681 868947959 /nfs/dbraw/zinc/94/79/59/868947959.db2.gz FSBMMIJZDUWUBU-HSZRJFAPSA-N 0 0 400.478 4.096 20 30 HIEDRN Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000444677671 868955291 /nfs/dbraw/zinc/95/52/91/868955291.db2.gz QDFPAVCDZFRKOF-IBGZPJMESA-N 0 0 402.523 4.463 20 30 HIEDRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444701812 868964151 /nfs/dbraw/zinc/96/41/51/868964151.db2.gz IGCGUUUSLSQKNS-ORAYPTAESA-N 0 0 404.297 4.266 20 30 HIEDRN C=CC[C@H]1N(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCC1(C)C ZINC000444774636 868996109 /nfs/dbraw/zinc/99/61/09/868996109.db2.gz JVUIYIDYOTUTNW-QGZVFWFLSA-N 0 0 402.539 4.174 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)c(Cl)c1 ZINC000444814516 869026868 /nfs/dbraw/zinc/02/68/68/869026868.db2.gz PJWIEUBJJHIFOS-UHFFFAOYSA-N 0 0 419.710 4.328 20 30 HIEDRN CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444818197 869028395 /nfs/dbraw/zinc/02/83/95/869028395.db2.gz PJANQKDYDKCHAA-ZDUSSCGKSA-N 0 0 408.745 4.471 20 30 HIEDRN Cn1ncc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1Cc1ccccc1 ZINC000444847600 869051254 /nfs/dbraw/zinc/05/12/54/869051254.db2.gz JQPWXUOYPPBKQJ-UHFFFAOYSA-N 0 0 413.506 4.182 20 30 HIEDRN C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N(C)CC=C)cc2)CCCC1(C)C ZINC000444847820 869051455 /nfs/dbraw/zinc/05/14/55/869051455.db2.gz LETCAHGDZFHUBP-IBGZPJMESA-N 0 0 405.564 4.092 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3ccoc3Br)s2)cc1 ZINC000444859513 869060818 /nfs/dbraw/zinc/06/08/18/869060818.db2.gz NXMMLJIBSWJQAX-UHFFFAOYSA-N 0 0 421.301 4.310 20 30 HIEDRN C=CC[C@H]1N(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CCCC1(C)C ZINC000444903564 869091508 /nfs/dbraw/zinc/09/15/08/869091508.db2.gz YLQOOUGJUOFQCI-LJQANCHMSA-N 0 0 405.564 4.068 20 30 HIEDRN COc1ccc(C2(NC(=O)Nc3ccc(C#N)cc3Cl)CCOCC2)cc1F ZINC000444906107 869093325 /nfs/dbraw/zinc/09/33/25/869093325.db2.gz BRVOVFPIATWIBB-UHFFFAOYSA-N 0 0 403.841 4.187 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)c(Cl)c1 ZINC000444911119 869097243 /nfs/dbraw/zinc/09/72/43/869097243.db2.gz KZOQEWFIKAFIBT-UHFFFAOYSA-N 0 0 424.810 4.306 20 30 HIEDRN O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444924153 869108340 /nfs/dbraw/zinc/10/83/40/869108340.db2.gz MSGJSXOHJZRIDN-LLVKDONJSA-N 0 0 418.700 4.663 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)c(Cl)c1 ZINC000444930461 869113348 /nfs/dbraw/zinc/11/33/48/869113348.db2.gz MDQHFABPJRZJHY-UHFFFAOYSA-N 0 0 411.239 4.497 20 30 HIEDRN Cc1nn(-c2ccccc2)cc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444952117 869126060 /nfs/dbraw/zinc/12/60/60/869126060.db2.gz CZAOQOVKKZLDBR-UHFFFAOYSA-N 0 0 420.904 4.060 20 30 HIEDRN C=CC[C@@H](CO)CNC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000468338834 882273771 /nfs/dbraw/zinc/27/37/71/882273771.db2.gz ONWSHKZTBCPBST-CYBMUJFWSA-N 0 0 406.891 4.314 20 30 HIEDRN CC(F)(F)c1cccc(NC(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000445083037 869205987 /nfs/dbraw/zinc/20/59/87/869205987.db2.gz LGDJUGGJVHWALH-UHFFFAOYSA-N 0 0 418.284 4.080 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@]1(CCOC)CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000445214015 869278581 /nfs/dbraw/zinc/27/85/81/869278581.db2.gz ANAHQKXGUFCFBN-HKUYNNGSSA-N 0 0 400.441 4.208 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3cccc(COCC4CC4)c3)CC2)c(Cl)c1 ZINC000445233059 869290546 /nfs/dbraw/zinc/29/05/46/869290546.db2.gz CBYDVXKBNIHMFN-UHFFFAOYSA-N 0 0 424.932 4.492 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc(O)cc2CCOC)cc1 ZINC000445241996 869297543 /nfs/dbraw/zinc/29/75/43/869297543.db2.gz YNONDBIQKXZMHP-UHFFFAOYSA-N 0 0 409.486 4.039 20 30 HIEDRN COc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c2cccnc12 ZINC000445242540 869298375 /nfs/dbraw/zinc/29/83/75/869298375.db2.gz ZXWGMWVVOOHBBJ-UHFFFAOYSA-N 0 0 421.888 4.123 20 30 HIEDRN C=CC[C@@H]1N(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CCCC1(C)C ZINC000445253796 869307314 /nfs/dbraw/zinc/30/73/14/869307314.db2.gz UNFMJHQRDPZZGQ-MOPGFXCFSA-N 0 0 411.525 4.175 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)cc1 ZINC000445260563 869312572 /nfs/dbraw/zinc/31/25/72/869312572.db2.gz KKABKAUFUNQGTR-MRXNPFEDSA-N 0 0 412.287 4.315 20 30 HIEDRN N#CCCn1cc(/C=C\c2nc(CC(=O)Nc3ccccc3F)no2)c2ccccc21 ZINC000445307190 869359619 /nfs/dbraw/zinc/35/96/19/869359619.db2.gz HJRKMIBEHBBPHB-KHPPLWFESA-N 0 0 415.428 4.429 20 30 HIEDRN C=CCNC(=O)Cc1noc(-c2ccc(Oc3cccc(Cl)c3Cl)nc2)n1 ZINC000445334446 869396263 /nfs/dbraw/zinc/39/62/63/869396263.db2.gz WTHKKMMNALEMOH-UHFFFAOYSA-N 0 0 405.241 4.075 20 30 HIEDRN N#CCSc1cccc(-c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)c1 ZINC000445371679 869445684 /nfs/dbraw/zinc/44/56/84/869445684.db2.gz YNBXRVNRUPZURF-UHFFFAOYSA-N 0 0 402.838 4.326 20 30 HIEDRN C=CCOc1cccnc1-c1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1 ZINC000445377007 869455687 /nfs/dbraw/zinc/45/56/87/869455687.db2.gz YPBHNNRNJYFIER-UHFFFAOYSA-N 0 0 405.241 4.184 20 30 HIEDRN CC(C)CNC(=O)Cc1noc(-c2cccc(Oc3cccc(Cl)c3C#N)c2)n1 ZINC000445407512 869491816 /nfs/dbraw/zinc/49/18/16/869491816.db2.gz OEXOMZRGRLGRSG-UHFFFAOYSA-N 0 0 410.861 4.369 20 30 HIEDRN C=CCOCc1nc(CC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)no1 ZINC000445425824 869509689 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COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000445564311 869621830 /nfs/dbraw/zinc/62/18/30/869621830.db2.gz NYESGRJDKVBDAU-ROUUACIJSA-N 0 0 404.495 4.217 20 30 HIEDRN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000445564314 869621984 /nfs/dbraw/zinc/62/19/84/869621984.db2.gz NYESGRJDKVBDAU-ZWKOTPCHSA-N 0 0 404.495 4.217 20 30 HIEDRN COc1cccc(Cl)c1CC(=O)Nc1c(C#N)c(SC)nn1-c1ccccc1 ZINC000445564794 869623153 /nfs/dbraw/zinc/62/31/53/869623153.db2.gz QHIDQSDZVYABLL-UHFFFAOYSA-N 0 0 412.902 4.309 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1C#N ZINC000445565766 869624610 /nfs/dbraw/zinc/62/46/10/869624610.db2.gz VQJMTCTUAMCACT-KGLIPLIRSA-N 0 0 410.449 4.486 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2c(F)c(F)cc(F)c2F)c1C#N ZINC000445566478 869624741 /nfs/dbraw/zinc/62/47/41/869624741.db2.gz YHRMXSSKFVKJLV-UHFFFAOYSA-N 0 0 406.364 4.275 20 30 HIEDRN CC[C@@H](C)Oc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)ccn1 ZINC000445567280 869626286 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C=CCCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000468384449 882328723 /nfs/dbraw/zinc/32/87/23/882328723.db2.gz OETNSNXUAKIMER-LADGPHEKSA-N 0 0 422.525 4.271 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCc1nc(Cn2c3ccccc3nc2C(C)C)no1 ZINC000445662208 869730467 /nfs/dbraw/zinc/73/04/67/869730467.db2.gz RKEWHAUOEHEIQN-UHFFFAOYSA-N 0 0 417.517 4.103 20 30 HIEDRN CSCc1cc(F)ccc1CNC(=O)NCCSCc1ccccc1C#N ZINC000445695460 869762509 /nfs/dbraw/zinc/76/25/09/869762509.db2.gz ULMHYNUDXMLKNN-UHFFFAOYSA-N 0 0 403.548 4.293 20 30 HIEDRN C=C(C)[C@H](Cc1nc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1)OCC ZINC000445760640 869806161 /nfs/dbraw/zinc/80/61/61/869806161.db2.gz QJSHIHZZSJJJAH-WBMJQRKESA-N 0 0 412.317 4.320 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000445795363 869827605 /nfs/dbraw/zinc/82/76/05/869827605.db2.gz UVIKWFYBYNQACR-CABCVRRESA-N 0 0 420.531 4.126 20 30 HIEDRN N#Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)cn1 ZINC000445809136 869834347 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417.468 4.302 20 30 HIEDRN O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1c1cccc(C#Cc2ccccn2)c1 ZINC000445887023 869873337 /nfs/dbraw/zinc/87/33/37/869873337.db2.gz FHMQJSRBEKLNHI-UHFFFAOYSA-N 0 0 401.853 4.104 20 30 HIEDRN C=CCCCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 ZINC000468404814 882347661 /nfs/dbraw/zinc/34/76/61/882347661.db2.gz ZVQUEIHDFVDZDO-UHFFFAOYSA-N 0 0 418.946 4.417 20 30 HIEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C ZINC000445918839 869888034 /nfs/dbraw/zinc/88/80/34/869888034.db2.gz DXMDPBJJTYIIRY-UHFFFAOYSA-N 0 0 408.477 4.051 20 30 HIEDRN C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000445922823 869890182 /nfs/dbraw/zinc/89/01/82/869890182.db2.gz CEHQNFBFIRASQA-UHFFFAOYSA-N 0 0 400.450 4.298 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1 ZINC000445944934 869904651 /nfs/dbraw/zinc/90/46/51/869904651.db2.gz ALVCHOQBCVDHNL-UHFFFAOYSA-N 0 0 413.433 4.328 20 30 HIEDRN C=CCN1C(=O)N(c2cc(Br)cc(OC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000445951190 869915968 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HIEDRN CC(C)c1cccc(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)c1 ZINC000446513456 870431900 /nfs/dbraw/zinc/43/19/00/870431900.db2.gz FPCKLJNGDSLYGQ-UHFFFAOYSA-N 0 0 400.438 4.446 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000446520758 870438836 /nfs/dbraw/zinc/43/88/36/870438836.db2.gz ZBIRZAMPRKQKQR-UHFFFAOYSA-N 0 0 412.902 4.012 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000446521237 870439123 /nfs/dbraw/zinc/43/91/23/870439123.db2.gz HMTWZZSJIXKGFW-UHFFFAOYSA-N 0 0 422.934 4.351 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000446523762 870440614 /nfs/dbraw/zinc/44/06/14/870440614.db2.gz VPMLOMZZRKPDAI-UHFFFAOYSA-N 0 0 410.898 4.481 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000446525419 870442290 /nfs/dbraw/zinc/44/22/90/870442290.db2.gz ZIXFMQWASPMHHS-UHFFFAOYSA-N 0 0 413.724 4.317 20 30 HIEDRN CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000446536043 870449513 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CCCC(C#N)(CCC)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000446733822 870643663 /nfs/dbraw/zinc/64/36/63/870643663.db2.gz AJWADSSFYZAUNR-OALUTQOASA-N 0 0 413.562 4.447 20 30 HIEDRN CCCC(C#N)(CCC)NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000446741299 870647205 /nfs/dbraw/zinc/64/72/05/870647205.db2.gz LSTWMGLXWWLYQM-UHFFFAOYSA-N 0 0 420.435 4.152 20 30 HIEDRN CCC1(CC)CCN(C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C1 ZINC000446814254 870727966 /nfs/dbraw/zinc/72/79/66/870727966.db2.gz WBLDLSOGPVLUOE-UHFFFAOYSA-N 0 0 406.486 4.031 20 30 HIEDRN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)NC3(C#N)CCC3)n2n1 ZINC000468477950 882441496 /nfs/dbraw/zinc/44/14/96/882441496.db2.gz JJEWJYLTXSBRDB-INIZCTEOSA-N 0 0 405.527 4.056 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)cc1 ZINC000446865503 870785135 /nfs/dbraw/zinc/78/51/35/870785135.db2.gz KONNQRMLRYJVQC-UHFFFAOYSA-N 0 0 416.437 4.110 20 30 HIEDRN C=CCNC(=O)c1ccc(NCc2cc(OC)ccc2OCc2ccccn2)cc1 ZINC000446882402 870803635 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HIEDRN N#Cc1cccc(OCCSCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000447025627 870900473 /nfs/dbraw/zinc/90/04/73/870900473.db2.gz DFWSEBNHSKLRTR-UHFFFAOYSA-N 0 0 418.902 4.124 20 30 HIEDRN Cc1nc(-c2ccc(C)c(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2)n[nH]1 ZINC000447052805 870931100 /nfs/dbraw/zinc/93/11/00/870931100.db2.gz VPCYXIRIXJUCKT-UHFFFAOYSA-N 0 0 416.485 4.036 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCCc3sc(C)nc32)c1C#N ZINC000447130045 871031238 /nfs/dbraw/zinc/03/12/38/871031238.db2.gz UHDLKTYWSSPXAG-AWEZNQCLSA-N 0 0 409.540 4.289 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cc(F)c(Cl)cc1Cl ZINC000447150805 871050416 /nfs/dbraw/zinc/05/04/16/871050416.db2.gz NUBXANGMGUPDFL-MRVPVSSYSA-N 0 0 414.651 4.473 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000447183236 871076444 /nfs/dbraw/zinc/07/64/44/871076444.db2.gz KSXQXVFTELYHMR-UHFFFAOYSA-N 0 0 418.472 4.350 20 30 HIEDRN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3(C#N)CCC3)nnc2-c2cccs2)cc1 ZINC000468491260 882473415 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HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000447257914 871135245 /nfs/dbraw/zinc/13/52/45/871135245.db2.gz CHKOEGQIRRVKBO-UHFFFAOYSA-N 0 0 416.308 4.432 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCOc2ccccc2-c2ccccc2)c1 ZINC000447261423 871141320 /nfs/dbraw/zinc/14/13/20/871141320.db2.gz XGVBTHDYYJLLKC-UHFFFAOYSA-N 0 0 419.868 4.012 20 30 HIEDRN CCN(C(=O)c1cc(NS(=O)(=O)c2cc(C#N)ccc2C)ccc1Cl)C(C)C ZINC000447268213 871151819 /nfs/dbraw/zinc/15/18/19/871151819.db2.gz SNWKRTFNXNUJTL-UHFFFAOYSA-N 0 0 419.934 4.191 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(SCc2cncc(OCc3ccccc3)c2)n1 ZINC000447286603 871183827 /nfs/dbraw/zinc/18/38/27/871183827.db2.gz UQZVJDQVOQXFBF-UHFFFAOYSA-N 0 0 405.479 4.396 20 30 HIEDRN Cc1cc(CN(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccc1F ZINC000447312898 871206141 /nfs/dbraw/zinc/20/61/41/871206141.db2.gz IPHFDIKDEVBMJQ-UHFFFAOYSA-N 0 0 417.440 4.395 20 30 HIEDRN CCc1c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)nnn1Cc1ccc(F)cc1 ZINC000447348960 871252279 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HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCc2c(cccc2OC)C1 ZINC000460386976 873030943 /nfs/dbraw/zinc/03/09/43/873030943.db2.gz JUFITOYFKBQFBZ-UHFFFAOYSA-N 0 0 404.514 4.025 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000460387758 873032654 /nfs/dbraw/zinc/03/26/54/873032654.db2.gz OGKFTAGQCYAARU-JPYJTQIMSA-N 0 0 408.498 4.023 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]1CSC ZINC000460387772 873033635 /nfs/dbraw/zinc/03/36/35/873033635.db2.gz MLMBLDUXQOINCP-QGZVFWFLSA-N 0 0 402.564 4.164 20 30 HIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 ZINC000460389651 873036460 /nfs/dbraw/zinc/03/64/60/873036460.db2.gz UWOHWNVHJZOTNY-UHFFFAOYSA-N 0 0 407.518 4.209 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000460390826 873037758 /nfs/dbraw/zinc/03/77/58/873037758.db2.gz WYOVNBZHIGXATB-APWZRJJASA-N 0 0 420.492 4.228 20 30 HIEDRN C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC000460391189 873037987 /nfs/dbraw/zinc/03/79/87/873037987.db2.gz XUFNNOQPWFPUTC-IRLDBZIGSA-N 0 0 420.513 4.309 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000460392798 873040666 /nfs/dbraw/zinc/04/06/66/873040666.db2.gz GTSCSBQPZCIGLN-CQGGRAHPSA-N 0 0 409.559 4.159 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)c1cccc(C)c1C ZINC000460394078 873043127 /nfs/dbraw/zinc/04/31/27/873043127.db2.gz LTSDIYIFUWMLFL-UHFFFAOYSA-N 0 0 410.543 4.309 20 30 HIEDRN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N(CCOC)Cc1ccc(C)o1 ZINC000460395792 873044781 /nfs/dbraw/zinc/04/47/81/873044781.db2.gz VFHKEQQGPJXIJR-OAQYLSRUSA-N 0 0 408.502 4.085 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460396518 873046205 /nfs/dbraw/zinc/04/62/05/873046205.db2.gz YQYVZFCFGXYFQF-UHFFFAOYSA-N 0 0 401.514 4.354 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(CN2CCCc3ccccc32)n1CCc1ccccc1 ZINC000460409902 873063630 /nfs/dbraw/zinc/06/36/30/873063630.db2.gz DRYYNDIXEKFPAK-FQEVSTJZSA-N 0 0 414.557 4.212 20 30 HIEDRN Cc1c(=O)[nH]c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc1-c1ccccc1 ZINC000460428321 873090914 /nfs/dbraw/zinc/09/09/14/873090914.db2.gz OIVXCHYJNGSRLU-UHFFFAOYSA-N 0 0 410.886 4.414 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2COCCO2)n1CCc1ccccc1 ZINC000460439761 873108719 /nfs/dbraw/zinc/10/87/19/873108719.db2.gz NUHBDDJPUFOINU-HSZRJFAPSA-N 0 0 418.541 4.191 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCO2)n1CCc1ccccc1 ZINC000460459151 873138677 /nfs/dbraw/zinc/13/86/77/873138677.db2.gz LZZNEUCLCFTEAS-QHCPKHFHSA-N 0 0 413.525 4.437 20 30 HIEDRN O=C(c1cccc(OCC(F)(F)F)n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000460469565 873154326 /nfs/dbraw/zinc/15/43/26/873154326.db2.gz IKNRPEOELYMSGC-UHFFFAOYSA-N 0 0 410.289 4.367 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000460503201 873188807 /nfs/dbraw/zinc/18/88/07/873188807.db2.gz SYUAQGXDKRQAJS-UHFFFAOYSA-N 0 0 403.438 4.389 20 30 HIEDRN COc1cccc(O[C@@H](C)CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000460516344 873204085 /nfs/dbraw/zinc/20/40/85/873204085.db2.gz KOYPZNLNMOYOKG-SFHVURJKSA-N 0 0 416.477 4.343 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H]1c1ccccc1 ZINC000460542324 873243440 /nfs/dbraw/zinc/24/34/40/873243440.db2.gz JKQLTUPDLQITCP-JXFKEZNVSA-N 0 0 407.543 4.043 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000460542442 873244102 /nfs/dbraw/zinc/24/41/02/873244102.db2.gz JQODGSJKQLZJES-OAHLLOKOSA-N 0 0 417.351 4.289 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000460542964 873245014 /nfs/dbraw/zinc/24/50/14/873245014.db2.gz HFHIXVWYKYBUHT-UHFFFAOYSA-N 0 0 418.476 4.128 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2ccccc2[C@@H]1C ZINC000460547457 873252451 /nfs/dbraw/zinc/25/24/51/873252451.db2.gz AFAYYVXWEAXDGE-KRWDZBQOSA-N 0 0 422.554 4.048 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](COCc4ccccc4)C3)o2)cc1 ZINC000460548191 873255434 /nfs/dbraw/zinc/25/54/34/873255434.db2.gz YHROHGWOGRLFAA-NRFANRHFSA-N 0 0 416.477 4.409 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000460550024 873259645 /nfs/dbraw/zinc/25/96/45/873259645.db2.gz VVSQQQXEHRHZSM-HXUWFJFHSA-N 0 0 410.562 4.445 20 30 HIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000460552167 873263652 /nfs/dbraw/zinc/26/36/52/873263652.db2.gz KLAAHJBRNDCEDS-IFMALSPDSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)c1cccc(C)c1C ZINC000460552853 873266348 /nfs/dbraw/zinc/26/63/48/873266348.db2.gz BBTDADLRLNNMLX-UHFFFAOYSA-N 0 0 417.561 4.413 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](c2nncn2CC)C1 ZINC000460554306 873267333 /nfs/dbraw/zinc/26/73/33/873267333.db2.gz RIVJWSUJPVRMFK-SFTDATJTSA-N 0 0 419.577 4.392 20 30 HIEDRN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](c2nncn2CC)C1 ZINC000460554302 873267757 /nfs/dbraw/zinc/26/77/57/873267757.db2.gz RIVJWSUJPVRMFK-NHCUHLMSSA-N 0 0 419.577 4.392 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000460554094 873268716 /nfs/dbraw/zinc/26/87/16/873268716.db2.gz CHKIRTUPLHQBOY-LJQANCHMSA-N 0 0 400.954 4.471 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC000460555123 873269980 /nfs/dbraw/zinc/26/99/80/873269980.db2.gz DYYBURQIOAZJII-QGZVFWFLSA-N 0 0 402.514 4.122 20 30 HIEDRN Cc1ccc([C@@H](NC(=O)c2sccc2C#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000460555657 873272952 /nfs/dbraw/zinc/27/29/52/873272952.db2.gz KRKDMIPWYANUTL-FQEVSTJZSA-N 0 0 424.547 4.160 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](c2nncn2CC)C1 ZINC000460555954 873273754 /nfs/dbraw/zinc/27/37/54/873273754.db2.gz GGAAUNNSVPYLJM-GOSISDBHSA-N 0 0 417.517 4.263 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000460557863 873277540 /nfs/dbraw/zinc/27/75/40/873277540.db2.gz OSBQHFGNVWDQNF-NHCUHLMSSA-N 0 0 410.562 4.355 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000460557861 873279317 /nfs/dbraw/zinc/27/93/17/873279317.db2.gz OSBQHFGNVWDQNF-LEWJYISDSA-N 0 0 410.562 4.355 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000460559575 873284521 /nfs/dbraw/zinc/28/45/21/873284521.db2.gz ABCHYGDZXHKFIH-UHFFFAOYSA-N 0 0 419.485 4.187 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000460560401 873285451 /nfs/dbraw/zinc/28/54/51/873285451.db2.gz CDOSPTXGKXBQIS-APWZRJJASA-N 0 0 413.566 4.252 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460560230 873286821 /nfs/dbraw/zinc/28/68/21/873286821.db2.gz NZJAANLERSWHIH-AVRDEDQJSA-N 0 0 403.530 4.436 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000460562106 873290593 /nfs/dbraw/zinc/29/05/93/873290593.db2.gz RMSFFNRCVLIYIP-HNNXBMFYSA-N 0 0 413.909 4.228 20 30 HIEDRN C=C(C)Cn1c(N2CCCC[C@@H](COC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460563806 873292219 /nfs/dbraw/zinc/29/22/19/873292219.db2.gz VQCFXNVKSPIYNO-QGZVFWFLSA-N 0 0 406.477 4.235 20 30 HIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N(Cc1cc(OC)ccc1OC)C1CC1 ZINC000460566381 873296684 /nfs/dbraw/zinc/29/66/84/873296684.db2.gz KNPPHVAEJZAGHE-UHFFFAOYSA-N 0 0 405.502 4.102 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000460568078 873301530 /nfs/dbraw/zinc/30/15/30/873301530.db2.gz RXEOVVOGXOMMES-DJPFJPOOSA-N 0 0 412.534 4.310 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C)c2ccccc2C1 ZINC000460573754 873308608 /nfs/dbraw/zinc/30/86/08/873308608.db2.gz LAJRUMHSHGXPHH-UHFFFAOYSA-N 0 0 412.541 4.314 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000460574844 873311694 /nfs/dbraw/zinc/31/16/94/873311694.db2.gz NGZPCMTYIOMMMS-GOSISDBHSA-N 0 0 414.517 4.003 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC000460577873 873314431 /nfs/dbraw/zinc/31/44/31/873314431.db2.gz UJRZFNBNOOLBBO-MRXNPFEDSA-N 0 0 419.485 4.321 20 30 HIEDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000468606484 882709509 /nfs/dbraw/zinc/70/95/09/882709509.db2.gz GZOXBNCDETZGRK-HXUWFJFHSA-N 0 0 416.481 4.017 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1cccc(Br)c1 ZINC000460588681 873326940 /nfs/dbraw/zinc/32/69/40/873326940.db2.gz YIYQLBJOKCRNMI-UHFFFAOYSA-N 0 0 415.339 4.044 20 30 HIEDRN COc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)ccc1C#N ZINC000460590763 873330502 /nfs/dbraw/zinc/33/05/02/873330502.db2.gz KGJUMJKIZUKBSW-UHFFFAOYSA-N 0 0 408.889 4.459 20 30 HIEDRN COc1cc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)ccc1C#N ZINC000460594261 873333860 /nfs/dbraw/zinc/33/38/60/873333860.db2.gz BAPQUHAFSVWJSH-UHFFFAOYSA-N 0 0 415.453 4.082 20 30 HIEDRN COc1cc(CNC(=O)c2ccccc2SCc2c(C)noc2C)ccc1C#N ZINC000460607391 873350696 /nfs/dbraw/zinc/35/06/96/873350696.db2.gz PEZMXPHXPPWRLR-UHFFFAOYSA-N 0 0 407.495 4.394 20 30 HIEDRN COc1cc(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1C#N ZINC000460612486 873354894 /nfs/dbraw/zinc/35/48/94/873354894.db2.gz CJDCQWMESHGIRP-UHFFFAOYSA-N 0 0 404.388 4.105 20 30 HIEDRN COc1cc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)ccc1C#N ZINC000460613382 873355608 /nfs/dbraw/zinc/35/56/08/873355608.db2.gz QJQSCVBUNFYOFY-UHFFFAOYSA-N 0 0 408.889 4.459 20 30 HIEDRN Cc1nc([C@@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)cs1 ZINC000460637285 873378978 /nfs/dbraw/zinc/37/89/78/873378978.db2.gz HOTYAXFPZZRYKE-FQEVSTJZSA-N 0 0 422.558 4.491 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000460656859 873398658 /nfs/dbraw/zinc/39/86/58/873398658.db2.gz RDRIETSOJYOPHC-AOYPEHQESA-N 0 0 411.505 4.191 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1S[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000460677883 873426478 /nfs/dbraw/zinc/42/64/78/873426478.db2.gz KQQVQUORXUSXMC-GOSISDBHSA-N 0 0 414.575 4.172 20 30 HIEDRN CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC)CC1 ZINC000460683812 873434884 /nfs/dbraw/zinc/43/48/84/873434884.db2.gz KULSUTORJWGTBE-IBGZPJMESA-N 0 0 411.550 4.172 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000460686317 873440779 /nfs/dbraw/zinc/44/07/79/873440779.db2.gz CQNBYLKRCDGYFY-RHSMWYFYSA-N 0 0 407.440 4.020 20 30 HIEDRN CCOCCCn1c(-c2ccc(F)cc2Br)nnc1N(C)[C@H](C)CC#N ZINC000460692663 873453846 /nfs/dbraw/zinc/45/38/46/873453846.db2.gz RFTXRQLWQPRHAY-CYBMUJFWSA-N 0 0 424.318 4.012 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000460721626 873523174 /nfs/dbraw/zinc/52/31/74/873523174.db2.gz FZFWDECHAPJMMP-DLBZAZTESA-N 0 0 418.299 4.456 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccccc2I)no1 ZINC000460747247 873583144 /nfs/dbraw/zinc/58/31/44/873583144.db2.gz MABKQFKNVGAAKW-LLVKDONJSA-N 0 0 417.206 4.353 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)c2ccccc21 ZINC000460766261 873610320 /nfs/dbraw/zinc/61/03/20/873610320.db2.gz GDLHBENZNFDSNB-MRXNPFEDSA-N 0 0 408.527 4.180 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC[C@H]1CC(C)C ZINC000460766771 873611171 /nfs/dbraw/zinc/61/11/71/873611171.db2.gz APKLRSKHSGPXLD-NRFANRHFSA-N 0 0 423.609 4.433 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000460770078 873617290 /nfs/dbraw/zinc/61/72/90/873617290.db2.gz KWUDBKNCUMDXCS-RBUKOAKNSA-N 0 0 416.541 4.491 20 30 HIEDRN C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCn2ccnc2C1 ZINC000460775197 873626392 /nfs/dbraw/zinc/62/63/92/873626392.db2.gz QGLISEPIFCKVLM-UHFFFAOYSA-N 0 0 406.534 4.082 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000460777146 873629622 /nfs/dbraw/zinc/62/96/22/873629622.db2.gz LFQCVOXLXWFDMW-GVDBMIGSSA-N 0 0 402.564 4.157 20 30 HIEDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000468622898 882742838 /nfs/dbraw/zinc/74/28/38/882742838.db2.gz WCYVPNIUSQSNLO-SFHVURJKSA-N 0 0 402.454 4.230 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000460777148 873629850 /nfs/dbraw/zinc/62/98/50/873629850.db2.gz LFQCVOXLXWFDMW-YESZJQIVSA-N 0 0 402.564 4.157 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000460777373 873629979 /nfs/dbraw/zinc/62/99/79/873629979.db2.gz LMBBOLULLGPUEG-QGZVFWFLSA-N 0 0 423.952 4.096 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]1c1ccccc1 ZINC000460777474 873630407 /nfs/dbraw/zinc/63/04/07/873630407.db2.gz HCFXDQQZEUHVTH-AVRDEDQJSA-N 0 0 401.514 4.441 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N(CC)Cc1cnn(C)c1 ZINC000460780870 873636830 /nfs/dbraw/zinc/63/68/30/873636830.db2.gz HVZARGMWEPZQCL-UHFFFAOYSA-N 0 0 415.339 4.044 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H](C)c1cnn(C)c1 ZINC000460784080 873640991 /nfs/dbraw/zinc/64/09/91/873640991.db2.gz ZUCPTPUQWILHSH-JRGCBEDISA-N 0 0 406.534 4.030 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCc2cc[nH]c(=O)c2C1 ZINC000460788555 873648342 /nfs/dbraw/zinc/64/83/42/873648342.db2.gz CFDSAAASHPBCAE-UHFFFAOYSA-N 0 0 416.312 4.491 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000460789656 873652904 /nfs/dbraw/zinc/65/29/04/873652904.db2.gz YRAQMSPIPGGJNY-RBBKRZOGSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 ZINC000460790028 873653106 /nfs/dbraw/zinc/65/31/06/873653106.db2.gz ZEIYLBKIJDXRNA-ROUUACIJSA-N 0 0 414.550 4.180 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CCc1ccccc1)Cc1ccccc1 ZINC000460793813 873660948 /nfs/dbraw/zinc/66/09/48/873660948.db2.gz MDODAYUZUBDGSB-HSZRJFAPSA-N 0 0 418.541 4.191 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000460794885 873663772 /nfs/dbraw/zinc/66/37/72/873663772.db2.gz PNBDLOSGJLBXCT-ZOKDDAQRSA-N 0 0 424.570 4.465 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000460794884 873664494 /nfs/dbraw/zinc/66/44/94/873664494.db2.gz PNBDLOSGJLBXCT-NOVUIFNWSA-N 0 0 424.570 4.465 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000460796275 873666096 /nfs/dbraw/zinc/66/60/96/873666096.db2.gz RIETYUGNRYJWDK-DENIHFKCSA-N 0 0 424.495 4.344 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(c2ccccc2)CC1 ZINC000460795890 873666426 /nfs/dbraw/zinc/66/64/26/873666426.db2.gz QQVHNXDASHGVPW-UHFFFAOYSA-N 0 0 417.557 4.170 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccccc1Br ZINC000460798329 873667660 /nfs/dbraw/zinc/66/76/60/873667660.db2.gz YVUZIXLXERQIIB-AWEZNQCLSA-N 0 0 415.339 4.215 20 30 HIEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](c2nncn2CC)C1 ZINC000460799903 873671285 /nfs/dbraw/zinc/67/12/85/873671285.db2.gz AUFKOVHZCJNMSI-NRFANRHFSA-N 0 0 419.577 4.025 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(c2ncc(C)s2)CC1 ZINC000460803557 873676334 /nfs/dbraw/zinc/67/63/34/873676334.db2.gz KSNKAUXHSRRUSU-UHFFFAOYSA-N 0 0 419.558 4.094 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C)[C@H]1CC ZINC000460804083 873676840 /nfs/dbraw/zinc/67/68/40/873676840.db2.gz HVSCPDSHJHKMQJ-DOTOQJQBSA-N 0 0 400.523 4.172 20 30 HIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000460804239 873678945 /nfs/dbraw/zinc/67/89/45/873678945.db2.gz NOQBHVYVSHKCDQ-MSOLQXFVSA-N 0 0 406.452 4.453 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC000460804836 873679124 /nfs/dbraw/zinc/67/91/24/873679124.db2.gz PLKIALJTDAZXKB-RBUKOAKNSA-N 0 0 412.534 4.076 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC2(CC2)c2ccccc21 ZINC000460805359 873680892 /nfs/dbraw/zinc/68/08/92/873680892.db2.gz LPJYUARHAOTYNL-UHFFFAOYSA-N 0 0 410.481 4.353 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C)[C@@H]1C ZINC000460807313 873683185 /nfs/dbraw/zinc/68/31/85/873683185.db2.gz RXYXYHUJGQZQBD-CVEARBPZSA-N 0 0 400.523 4.172 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000460810523 873688557 /nfs/dbraw/zinc/68/85/57/873688557.db2.gz CWMQMARIPPUPTD-DYESRHJHSA-N 0 0 422.554 4.122 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCC[C@@H]1CCC(C)C ZINC000460809902 873688723 /nfs/dbraw/zinc/68/87/23/873688723.db2.gz BQYDJWSFQCPWRY-LJQANCHMSA-N 0 0 416.591 4.330 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CCC(C)C ZINC000460810166 873688898 /nfs/dbraw/zinc/68/88/98/873688898.db2.gz CHOKDLULDMTBKK-KRWDZBQOSA-N 0 0 401.580 4.251 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H](C)c1nc2ccccc2s1 ZINC000460811130 873690620 /nfs/dbraw/zinc/69/06/20/873690620.db2.gz FZVZYDPAPCXYMT-HZPDHXFCSA-N 0 0 415.563 4.385 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 ZINC000460812473 873692493 /nfs/dbraw/zinc/69/24/93/873692493.db2.gz JRFHFWDVXPSPIY-VQTJNVASSA-N 0 0 413.591 4.354 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC(c2nnc3ccccn32)CC1 ZINC000460815695 873695858 /nfs/dbraw/zinc/69/58/58/873695858.db2.gz QHTXCCFHVIKTCI-UHFFFAOYSA-N 0 0 419.577 4.404 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000460816194 873696068 /nfs/dbraw/zinc/69/60/68/873696068.db2.gz RHCQSOLYOPGJQS-NHCUHLMSSA-N 0 0 423.561 4.027 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cn1 ZINC000460821016 873702256 /nfs/dbraw/zinc/70/22/56/873702256.db2.gz SDZKNHTUUCGVSJ-UHFFFAOYSA-N 0 0 413.499 4.080 20 30 HIEDRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000460833157 873720997 /nfs/dbraw/zinc/72/09/97/873720997.db2.gz PCYSBFMCMUXGPH-UHFFFAOYSA-N 0 0 421.478 4.134 20 30 HIEDRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000460884297 873796885 /nfs/dbraw/zinc/79/68/85/873796885.db2.gz OQEJHQAFZJRIIP-UHFFFAOYSA-N 0 0 409.449 4.279 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(Cc3ccccc3F)C3CC3)n2C[C@@H]2CCCO2)cc1 ZINC000460906792 873814509 /nfs/dbraw/zinc/81/45/09/873814509.db2.gz VVFRRYFFMRUJMC-NRFANRHFSA-N 0 0 417.488 4.304 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC000460928438 873831790 /nfs/dbraw/zinc/83/17/90/873831790.db2.gz PBSRRAYRKVIJOL-FXAWDEMLSA-N 0 0 418.545 4.191 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)C1Cc2ccccc2C1 ZINC000460929365 873832712 /nfs/dbraw/zinc/83/27/12/873832712.db2.gz FADXOOXXAACLCS-UHFFFAOYSA-N 0 0 404.514 4.045 20 30 HIEDRN C=C(C)Cn1c(Nc2ccc(C)cc2)nnc1-c1sc(N2CCOCC2)nc1C ZINC000460931807 873834593 /nfs/dbraw/zinc/83/45/93/873834593.db2.gz MEIXMCFFQGVYJV-UHFFFAOYSA-N 0 0 410.547 4.175 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)[C@@H](C)c1ccccc1Cl ZINC000460935869 873836194 /nfs/dbraw/zinc/83/61/94/873836194.db2.gz NWIPLRRYLKZZHZ-HNNXBMFYSA-N 0 0 413.909 4.228 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468633048 882764215 /nfs/dbraw/zinc/76/42/15/882764215.db2.gz ROQIFKFGLAYZBQ-UKILVPOCSA-N 0 0 415.493 4.205 20 30 HIEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000460938519 873839452 /nfs/dbraw/zinc/83/94/52/873839452.db2.gz KMHCDCPSOSRZLI-QHCPKHFHSA-N 0 0 418.541 4.313 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC000460942415 873841728 /nfs/dbraw/zinc/84/17/28/873841728.db2.gz ZXAHOTVHALFVQF-OAHLLOKOSA-N 0 0 416.485 4.073 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)[C@H](C)c1ccc(C)cc1 ZINC000460943313 873842620 /nfs/dbraw/zinc/84/26/20/873842620.db2.gz KKUJZMNVIKWAOS-GOSISDBHSA-N 0 0 424.570 4.431 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000460942825 873842763 /nfs/dbraw/zinc/84/27/63/873842763.db2.gz FEIROWSTBYSFSM-FQEVSTJZSA-N 0 0 420.513 4.345 20 30 HIEDRN N#CCC[C@H](NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000460944611 873844090 /nfs/dbraw/zinc/84/40/90/873844090.db2.gz GQZURUIVBPCEFB-JKSUJKDBSA-N 0 0 421.423 4.456 20 30 HIEDRN C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)c2ccccc21 ZINC000460948470 873846966 /nfs/dbraw/zinc/84/69/66/873846966.db2.gz WNTUQHIPQCRKIC-MRXNPFEDSA-N 0 0 422.558 4.070 20 30 HIEDRN C=C(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1ccccc1 ZINC000460947984 873847083 /nfs/dbraw/zinc/84/70/83/873847083.db2.gz UIAPXOIZHBABSW-MRXNPFEDSA-N 0 0 400.486 4.367 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(Cc1ccccc1)C(C)C ZINC000460949650 873847993 /nfs/dbraw/zinc/84/79/93/873847993.db2.gz 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HIEDRN COC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000461491141 874557658 /nfs/dbraw/zinc/55/76/58/874557658.db2.gz RBDPTFNBQFBYNV-UHFFFAOYSA-N 0 0 407.543 4.320 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3[C@@H]3CCCO3)n2Cc2cccs2)c1 ZINC000461493595 874562170 /nfs/dbraw/zinc/56/21/70/874562170.db2.gz HTNDHKXUTDZJCL-PMACEKPBSA-N 0 0 405.527 4.074 20 30 HIEDRN Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461517003 874597672 /nfs/dbraw/zinc/59/76/72/874597672.db2.gz ACWHIXNOJGDTAX-QUCCMNQESA-N 0 0 401.514 4.359 20 30 HIEDRN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000461524263 874608172 /nfs/dbraw/zinc/60/81/72/874608172.db2.gz QGHOWCQJAZHMEH-QZTJIDSGSA-N 0 0 405.498 4.003 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461526886 874610746 /nfs/dbraw/zinc/61/07/46/874610746.db2.gz VUOKTTSGFWCYDZ-QFIPXVFZSA-N 0 0 413.525 4.088 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCOC1 ZINC000461529668 874615590 /nfs/dbraw/zinc/61/55/90/874615590.db2.gz BINIMQQVWVMDMP-IRXDYDNUSA-N 0 0 402.926 4.286 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCOC1 ZINC000461529667 874615767 /nfs/dbraw/zinc/61/57/67/874615767.db2.gz BINIMQQVWVMDMP-IAGOWNOFSA-N 0 0 402.926 4.286 20 30 HIEDRN Cc1ccc(C[C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)cc1 ZINC000461538759 874625657 /nfs/dbraw/zinc/62/56/57/874625657.db2.gz WAUBYFBZMQRBHF-SIKLNZKXSA-N 0 0 415.541 4.229 20 30 HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461543188 874631439 /nfs/dbraw/zinc/63/14/39/874631439.db2.gz WKZOHHCRMUYIBX-UWWQBHOKSA-N 0 0 419.451 4.020 20 30 HIEDRN Cc1sc2nc(CS[C@H](C)C(=O)N(C)c3ccc(C#N)cc3)[nH]c(=O)c2c1C ZINC000461549534 874635955 /nfs/dbraw/zinc/63/59/55/874635955.db2.gz XPSZRIICWPBSIK-CYBMUJFWSA-N 0 0 412.540 4.170 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(Cc2ccccc2Cl)n1C[C@H]1CCOC1 ZINC000461559749 874652297 /nfs/dbraw/zinc/65/22/97/874652297.db2.gz QLZCGIMPAPDVAW-GOSISDBHSA-N 0 0 415.969 4.325 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccc2C)n1C[C@H]1CCOC1 ZINC000461563450 874659145 /nfs/dbraw/zinc/65/91/45/874659145.db2.gz PDLTYCXXGKKXCJ-JOCHJYFZSA-N 0 0 413.525 4.354 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccccn2)n1C[C@H]1CCOC1 ZINC000461564027 874659368 /nfs/dbraw/zinc/65/93/68/874659368.db2.gz VXJBPPSRGIDADC-OAHLLOKOSA-N 0 0 415.950 4.284 20 30 HIEDRN CC(C)N(Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461581722 874689223 /nfs/dbraw/zinc/68/92/23/874689223.db2.gz CBCZRZHNPWSNHZ-OAQYLSRUSA-N 0 0 401.514 4.268 20 30 HIEDRN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nn(C(C)C)cc4C#N)cc3)o2)c1 ZINC000468774285 882854087 /nfs/dbraw/zinc/85/40/87/882854087.db2.gz AYPXEAUWNRWBPW-UHFFFAOYSA-N 0 0 412.453 4.613 20 30 HIEDRN CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)Cc2ccccc21 ZINC000461593045 874713896 /nfs/dbraw/zinc/71/38/96/874713896.db2.gz FOIFUFDWFULRKX-IBGZPJMESA-N 0 0 413.525 4.151 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461597291 874721719 /nfs/dbraw/zinc/72/17/19/874721719.db2.gz KTNRVSIMRIXJDP-LJQANCHMSA-N 0 0 417.488 4.185 20 30 HIEDRN CCC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 ZINC000461598062 874725689 /nfs/dbraw/zinc/72/56/89/874725689.db2.gz AOOQGLQXVBXDCB-CKHPTIKVSA-N 0 0 423.561 4.170 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCOC1 ZINC000461601995 874735143 /nfs/dbraw/zinc/73/51/43/874735143.db2.gz SOVIGTKPOUPHBW-NRFANRHFSA-N 0 0 418.541 4.225 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461605761 874741867 /nfs/dbraw/zinc/74/18/67/874741867.db2.gz ZJQDNPUJUMQHGJ-QFIPXVFZSA-N 0 0 413.525 4.436 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4c(Cl)cccc4C3)n2C[C@@H]2CCOC2)c1 ZINC000461607114 874744014 /nfs/dbraw/zinc/74/40/14/874744014.db2.gz VKARAVDHPBHNHT-KRWDZBQOSA-N 0 0 419.916 4.069 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1C[C@@H]1CCOC1 ZINC000461607863 874746137 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20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)COc1ccc(Br)cc1F ZINC000461672543 874822711 /nfs/dbraw/zinc/82/27/11/874822711.db2.gz MKOMQKSVSSVUKU-UHFFFAOYSA-N 0 0 406.255 4.299 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000461674768 874824756 /nfs/dbraw/zinc/82/47/56/874824756.db2.gz MYDCQSZVTHBFEA-UHFFFAOYSA-N 0 0 419.485 4.400 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccccc2OC)n1C[C@H]1CCOC1 ZINC000461697522 874847049 /nfs/dbraw/zinc/84/70/49/874847049.db2.gz DHBDGQYTHVEIBD-GOSISDBHSA-N 0 0 422.504 4.322 20 30 HIEDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468806020 882868984 /nfs/dbraw/zinc/86/89/84/882868984.db2.gz DDFLETXOJKNTFB-IBGZPJMESA-N 0 0 417.509 4.397 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000461705646 874855061 /nfs/dbraw/zinc/85/50/61/874855061.db2.gz UVADDZPMRYIPHP-UHFFFAOYSA-N 0 0 405.458 4.010 20 30 HIEDRN C=CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H]1CCOC1)C1CC1 ZINC000461705401 874855307 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423.561 4.027 20 30 HIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cccc(C(F)(F)F)c2)n1C[C@H]1CCCCO1 ZINC000461820665 874944602 /nfs/dbraw/zinc/94/46/02/874944602.db2.gz FYWPIYQEWSLMBY-RHSMWYFYSA-N 0 0 407.440 4.271 20 30 HIEDRN C=CCN(c1nnc(C(F)(F)Oc2ccccc2)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461827509 874956390 /nfs/dbraw/zinc/95/63/90/874956390.db2.gz LUZHRJJXMHFFNN-SFHVURJKSA-N 0 0 404.461 4.130 20 30 HIEDRN C=CCN(CC=C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCCCO1 ZINC000461829305 874959000 /nfs/dbraw/zinc/95/90/00/874959000.db2.gz FVCVQBJMGFKNSU-YLJYHZDGSA-N 0 0 400.498 4.305 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N(CC3CC3)C3CCC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461835448 874970670 /nfs/dbraw/zinc/97/06/70/874970670.db2.gz OOPMYJSRBQCOAX-QFIPXVFZSA-N 0 0 421.545 4.067 20 30 HIEDRN C=CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCCCO1)C1CC1 ZINC000461839455 874975667 /nfs/dbraw/zinc/97/56/67/874975667.db2.gz TVPANRODNXOWJI-WMZOPIPTSA-N 0 0 400.498 4.281 20 30 HIEDRN Cc1ccc(-c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@@H]2CCCCO2)o1 ZINC000461847920 874990010 /nfs/dbraw/zinc/99/00/10/874990010.db2.gz ZEXHIADGCMUCLH-NRFANRHFSA-N 0 0 417.513 4.456 20 30 HIEDRN CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CCCCO1 ZINC000461854119 874999198 /nfs/dbraw/zinc/99/91/98/874999198.db2.gz PFBFUQFLASWHMQ-NRFANRHFSA-N 0 0 407.562 4.476 20 30 HIEDRN CC(C)C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461854388 874999565 /nfs/dbraw/zinc/99/95/65/874999565.db2.gz MQMZFHPWPUYKMJ-IFMALSPDSA-N 0 0 423.561 4.313 20 30 HIEDRN C[C@@H]1CCCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461856486 875001956 /nfs/dbraw/zinc/00/19/56/875001956.db2.gz ATWZUSAMIBHMFS-NQIIRXRSSA-N 0 0 409.534 4.067 20 30 HIEDRN CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000461861229 875010821 /nfs/dbraw/zinc/01/08/21/875010821.db2.gz GQKPRYSQOVDLGD-YADHBBJMSA-N 0 0 423.561 4.171 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)c1nnc(C)n1C[C@@H]1CCCCO1 ZINC000461862985 875012637 /nfs/dbraw/zinc/01/26/37/875012637.db2.gz FHKKYVKUDXMLNZ-KRWDZBQOSA-N 0 0 423.330 4.250 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ncccc2C)n1C[C@H]1CCCCO1 ZINC000461879048 875031527 /nfs/dbraw/zinc/03/15/27/875031527.db2.gz SPTXCXRRVDQSHQ-HXUWFJFHSA-N 0 0 407.518 4.046 20 30 HIEDRN CCN(Cc1ccccc1Br)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000461889449 875038127 /nfs/dbraw/zinc/03/81/27/875038127.db2.gz JLOQCYAJLWRTDT-UHFFFAOYSA-N 0 0 413.724 4.185 20 30 HIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000461911150 875054022 /nfs/dbraw/zinc/05/40/22/875054022.db2.gz QZIVJUCNBINIAO-DOMZBBRYSA-N 0 0 401.264 4.450 20 30 HIEDRN C[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1cc2c(cc1Br)OCCO2 ZINC000461915499 875056611 /nfs/dbraw/zinc/05/66/11/875056611.db2.gz GYLKPKDOJMRHHS-QWHCGFSZSA-N 0 0 415.287 4.073 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CC[C@](CO)(c2ccccc2)C1 ZINC000461930679 875067793 /nfs/dbraw/zinc/06/77/93/875067793.db2.gz IFSDIGPLLQPDGX-NRFANRHFSA-N 0 0 408.299 4.009 20 30 HIEDRN CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000461940492 875073596 /nfs/dbraw/zinc/07/35/96/875073596.db2.gz KCNWYDGVMJUJJB-KLIQENQMSA-N 0 0 406.933 4.384 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)N[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000461943971 875076763 /nfs/dbraw/zinc/07/67/63/875076763.db2.gz HZXJDQCDJWPWJR-MOPGFXCFSA-N 0 0 413.543 4.212 20 30 HIEDRN COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)c2c[nH]c3ccccc32)cc1 ZINC000461949410 875080875 /nfs/dbraw/zinc/08/08/75/875080875.db2.gz QRZBJZUHLBDFSR-RBDMOPTHSA-N 0 0 402.498 4.300 20 30 HIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000461955190 875083772 /nfs/dbraw/zinc/08/37/72/875083772.db2.gz FQBYSFFFLFKUQY-XERREHJYSA-N 0 0 411.889 4.192 20 30 HIEDRN COc1ccc([C@H](Cc2ccccc2C)NC(=O)N[C@H]2CCC[C@H]2C#N)cc1OC ZINC000461954712 875083973 /nfs/dbraw/zinc/08/39/73/875083973.db2.gz DIFNMRVLBZRNCJ-ACRUOGEOSA-N 0 0 407.514 4.288 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 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N#Cc1ccc(F)cc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000468868874 882899079 /nfs/dbraw/zinc/89/90/79/882899079.db2.gz IEHXLTNFIBOWEU-UHFFFAOYSA-N 0 0 407.518 4.225 20 30 HIEDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000462024060 875141127 /nfs/dbraw/zinc/14/11/27/875141127.db2.gz BOEGZWOYGQQVFK-UHFFFAOYSA-N 0 0 408.889 4.105 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)Nc2ccc(NCC3CCCC3)cc2)cn1 ZINC000462086662 875196894 /nfs/dbraw/zinc/19/68/94/875196894.db2.gz VPHJUXXVARLIJQ-UHFFFAOYSA-N 0 0 401.474 4.385 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)cn1 ZINC000462089369 875198783 /nfs/dbraw/zinc/19/87/83/875198783.db2.gz AUSWJSHJEPNFMO-UHFFFAOYSA-N 0 0 404.455 4.028 20 30 HIEDRN C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000462092039 875201954 /nfs/dbraw/zinc/20/19/54/875201954.db2.gz VBDZYXQVADIFHI-AWEZNQCLSA-N 0 0 415.482 4.145 20 30 HIEDRN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462094319 875204371 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Cc1cc(C)c2ncc(C#N)c(N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)c2c1 ZINC000462385093 875496574 /nfs/dbraw/zinc/49/65/74/875496574.db2.gz SVPKHYXQPWLDRZ-UHFFFAOYSA-N 0 0 402.473 4.133 20 30 HIEDRN O=C([C@@H]1CCCN1CC(F)(F)F)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000462400523 875508366 /nfs/dbraw/zinc/50/83/66/875508366.db2.gz FHSJFXQGXNTCJG-GOEBONIOSA-N 0 0 412.349 4.129 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCOc4c(F)ccc(F)c43)o2)cc1 ZINC000462401632 875510320 /nfs/dbraw/zinc/51/03/20/875510320.db2.gz KXLVERKPZOLZTR-GOSISDBHSA-N 0 0 410.376 4.262 20 30 HIEDRN C=CCn1c(SC[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000462416073 875523042 /nfs/dbraw/zinc/52/30/42/875523042.db2.gz QWDZEIZTJJLDRV-CYBMUJFWSA-N 0 0 400.454 4.415 20 30 HIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3(C4CC4)CCOCC3)c2)c1 ZINC000462419047 875526413 /nfs/dbraw/zinc/52/64/13/875526413.db2.gz APSBOUWSKUQVQU-UHFFFAOYSA-N 0 0 403.478 4.018 20 30 HIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000462482906 875590464 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CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C ZINC000503351198 912327217 /nfs/dbraw/zinc/32/72/17/912327217.db2.gz XVVZJLZJLPXYQE-UHFFFAOYSA-N 0 0 404.470 4.430 20 30 HIEDRN CSCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464933663 878262662 /nfs/dbraw/zinc/26/26/62/878262662.db2.gz IDCJOKSJBZKTHG-UYAOXDASSA-N 0 0 404.539 4.198 20 30 HIEDRN COCCc1ccc(OCCCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464937197 878270272 /nfs/dbraw/zinc/27/02/72/878270272.db2.gz DUAPXBQKOJCQGA-ZEQRLZLVSA-N 0 0 406.526 4.333 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000464938930 878271862 /nfs/dbraw/zinc/27/18/62/878271862.db2.gz WCSJDUAWKUKMEG-YMPZKCBVSA-N 0 0 416.525 4.229 20 30 HIEDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464940670 878275153 /nfs/dbraw/zinc/27/51/53/878275153.db2.gz QZKUYFJUDGVXSD-STZQEDGTSA-N 0 0 421.566 4.354 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000464943852 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/nfs/dbraw/zinc/52/17/56/879521756.db2.gz IBHLMXSPGBBTDY-NHCUHLMSSA-N 0 0 408.521 4.329 20 30 HIEDRN COc1ccc(C(C)(C)CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000465870970 879522180 /nfs/dbraw/zinc/52/21/80/879522180.db2.gz SBDJRKIUJBWESZ-SFTDATJTSA-N 0 0 421.541 4.463 20 30 HIEDRN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000465890345 879547603 /nfs/dbraw/zinc/54/76/03/879547603.db2.gz JWXGYJHPDVNMLX-KWSLZPIXSA-N 0 0 419.525 4.286 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000503449270 912471652 /nfs/dbraw/zinc/47/16/52/912471652.db2.gz SWZSWRKYNPKLIU-QHCPKHFHSA-N 0 0 401.466 4.465 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccc(C)cc1)c1ccccc1 ZINC000503456078 912484327 /nfs/dbraw/zinc/48/43/27/912484327.db2.gz MRBGKOCSZJYHAM-SGNDLWITSA-N 0 0 420.553 4.403 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000466027253 879715539 /nfs/dbraw/zinc/71/55/39/879715539.db2.gz AVPAQOCPRNUHJJ-FQEVSTJZSA-N 0 0 424.932 4.329 20 30 HIEDRN CN(C)C(=O)c1cccc(CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 ZINC000466051582 879741789 /nfs/dbraw/zinc/74/17/89/879741789.db2.gz DGWZHFNCQDVQKQ-UHFFFAOYSA-N 0 0 411.505 4.152 20 30 HIEDRN CCc1ccc([C@H](COC)NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)o1 ZINC000466063629 879761881 /nfs/dbraw/zinc/76/18/81/879761881.db2.gz NZVHWPUKWMDVFL-HNNXBMFYSA-N 0 0 411.380 4.164 20 30 HIEDRN CC[C@@H](C)[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)cc1 ZINC000466063989 879762198 /nfs/dbraw/zinc/76/21/98/879762198.db2.gz GNMRNVQAFZJDKZ-IIBYNOLFSA-N 0 0 411.937 4.226 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000466065706 879764337 /nfs/dbraw/zinc/76/43/37/879764337.db2.gz DMKLKKNJEJRJMI-OXJNMPFZSA-N 0 0 411.937 4.226 20 30 HIEDRN CC[C@H](C)[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000466065705 879764845 /nfs/dbraw/zinc/76/48/45/879764845.db2.gz DMKLKKNJEJRJMI-JXFKEZNVSA-N 0 0 411.937 4.226 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000466103423 879819789 /nfs/dbraw/zinc/81/97/89/879819789.db2.gz CKVBWORDDLFLSV-IBGZPJMESA-N 0 0 414.303 4.246 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)Nc2ccccc2COCc2ccccc2)cc1 ZINC000466104819 879820594 /nfs/dbraw/zinc/82/05/94/879820594.db2.gz GPMGLKDSRJRSID-UHFFFAOYSA-N 0 0 401.466 4.476 20 30 HIEDRN CCCN(CCC)C(=O)c1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000466105860 879822265 /nfs/dbraw/zinc/82/22/65/879822265.db2.gz XHMKHBZXAUHHDO-UHFFFAOYSA-N 0 0 408.502 4.021 20 30 HIEDRN C=CCCCCCN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000466118972 879832986 /nfs/dbraw/zinc/83/29/86/879832986.db2.gz BIMDCJGSJKXOMD-SFHVURJKSA-N 0 0 409.477 4.171 20 30 HIEDRN CC1(C)[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H]2CCCO[C@H]21 ZINC000466132191 879844174 /nfs/dbraw/zinc/84/41/74/879844174.db2.gz BSWWPDXIUITQQU-PWRODBHTSA-N 0 0 418.497 4.136 20 30 HIEDRN CCOc1cc(CN(C)C(=O)NCc2cc(C#N)ccc2F)ccc1OC(F)F ZINC000466201223 879892511 /nfs/dbraw/zinc/89/25/11/879892511.db2.gz XOTVBRBAILWOMT-UHFFFAOYSA-N 0 0 407.392 4.039 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000466226674 879927503 /nfs/dbraw/zinc/92/75/03/879927503.db2.gz NTDDPIDCUGEORP-LJQANCHMSA-N 0 0 407.514 4.398 20 30 HIEDRN COCc1ccc([C@@H]2CCCN2C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000466228472 879928841 /nfs/dbraw/zinc/92/88/41/879928841.db2.gz RZSVLJNNPLDCOQ-SFHVURJKSA-N 0 0 406.404 4.343 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000466237178 879943591 /nfs/dbraw/zinc/94/35/91/879943591.db2.gz PSPVXNQPTNLYFI-IBGZPJMESA-N 0 0 422.834 4.493 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)c(Cl)c1 ZINC000503474966 912513333 /nfs/dbraw/zinc/51/33/33/912513333.db2.gz KROFBXZBISAGES-UHFFFAOYSA-N 0 0 417.849 4.017 20 30 HIEDRN Cn1nc(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC(F)F ZINC000466241713 879952108 /nfs/dbraw/zinc/95/21/08/879952108.db2.gz GPZFBIYMFULQTD-NSHDSACASA-N 0 0 417.256 4.074 20 30 HIEDRN C=C[C@H](CC(=O)Nc1ccccc1OCC(=O)Nc1cccnc1)c1ccccc1 ZINC000466251490 879971055 /nfs/dbraw/zinc/97/10/55/879971055.db2.gz HMWAQOFIEPCIPE-GOSISDBHSA-N 0 0 401.466 4.398 20 30 HIEDRN CC(C)OC(=O)[C@H](C)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000466258703 879986309 /nfs/dbraw/zinc/98/63/09/879986309.db2.gz WHLWGTKSGNZAJL-QGZVFWFLSA-N 0 0 409.486 4.041 20 30 HIEDRN Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N2CCOC[C@H]2C#N)cc1 ZINC000466280218 880019817 /nfs/dbraw/zinc/01/98/17/880019817.db2.gz WFWPLFQNAWMGOG-LJQANCHMSA-N 0 0 403.507 4.079 20 30 HIEDRN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000466353491 880109903 /nfs/dbraw/zinc/10/99/03/880109903.db2.gz NANFDXDJGMHGFR-YFVAEKQCSA-N 0 0 419.363 4.472 20 30 HIEDRN CCN(CC)c1ccc(-c2nnc(Sc3cc(C#N)ccc3[N+](=O)[O-])n2C)cc1 ZINC000466358378 880117101 /nfs/dbraw/zinc/11/71/01/880117101.db2.gz BNFFLXFRQWNGCH-UHFFFAOYSA-N 0 0 408.487 4.259 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)cc1 ZINC000466436743 880212015 /nfs/dbraw/zinc/21/20/15/880212015.db2.gz QBCLWFKVOUWLSH-RTWAWAEBSA-N 0 0 411.546 4.360 20 30 HIEDRN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000466447766 880225004 /nfs/dbraw/zinc/22/50/04/880225004.db2.gz BBUDVQOTYLTOKD-RYGJVYDSSA-N 0 0 419.460 4.418 20 30 HIEDRN C=CCOc1c(Br)cc(CN[C@H]2COc3ccc(F)cc32)cc1OC ZINC000466475707 880258425 /nfs/dbraw/zinc/25/84/25/880258425.db2.gz USHQWCHSBAYJLP-INIZCTEOSA-N 0 0 408.267 4.385 20 30 HIEDRN CNC(=O)c1cc(Oc2cccc(Oc3cc(C#N)ccc3[N+](=O)[O-])c2C)ccn1 ZINC000466483051 880263348 /nfs/dbraw/zinc/26/33/48/880263348.db2.gz SXTFXXCUQOSIQV-UHFFFAOYSA-N 0 0 404.382 4.114 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)C1=O ZINC000466501941 880276678 /nfs/dbraw/zinc/27/66/78/880276678.db2.gz FQBXMPJMAQRNMY-NRFANRHFSA-N 0 0 415.493 4.176 20 30 HIEDRN Cc1nc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)ccc1C#N ZINC000503505491 912552996 /nfs/dbraw/zinc/55/29/96/912552996.db2.gz LEKYFYGMWIQRRQ-UHFFFAOYSA-N 0 0 410.477 4.036 20 30 HIEDRN Cc1nn(C)c(C)c1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000466594000 880365878 /nfs/dbraw/zinc/36/58/78/880365878.db2.gz VXZDSTFXDJNXKY-UHFFFAOYSA-N 0 0 403.486 4.004 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000466595957 880366298 /nfs/dbraw/zinc/36/62/98/880366298.db2.gz BCQGSAPVZSCQOV-UHFFFAOYSA-N 0 0 408.502 4.020 20 30 HIEDRN COc1ccc([C@@H]2CCCN2C(=O)Nc2ncccc2OCCCC#N)c(OC)c1 ZINC000466597788 880369239 /nfs/dbraw/zinc/36/92/39/880369239.db2.gz PSLTZGAYGJJELT-SFHVURJKSA-N 0 0 410.474 4.150 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000466599857 880369853 /nfs/dbraw/zinc/36/98/53/880369853.db2.gz HSHPRYHPMPHUMB-GDBMZVCRSA-N 0 0 404.392 4.461 20 30 HIEDRN Cc1ccc(OC2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1C ZINC000466601330 880371635 /nfs/dbraw/zinc/37/16/35/880371635.db2.gz QBLWNMNLWJQMMM-UHFFFAOYSA-N 0 0 408.502 4.456 20 30 HIEDRN CCOc1ccc(-n2c(SCCCSCC#N)nnc2-c2cccnc2)cc1 ZINC000466605833 880374373 /nfs/dbraw/zinc/37/43/73/880374373.db2.gz DIJHNRIVVMYJCQ-UHFFFAOYSA-N 0 0 411.556 4.467 20 30 HIEDRN Cc1cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)nn1-c1cccc(C#N)c1 ZINC000503515763 912560810 /nfs/dbraw/zinc/56/08/10/912560810.db2.gz JCLFZTCNDCXUCH-IBGZPJMESA-N 0 0 406.873 4.350 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000466606653 880375776 /nfs/dbraw/zinc/37/57/76/880375776.db2.gz JCLKAOYVGTXFCY-OAHLLOKOSA-N 0 0 400.866 4.103 20 30 HIEDRN CC[C@H](CNC(=O)Nc1ncccc1OCCCC#N)Oc1ccccc1Cl ZINC000466613664 880384354 /nfs/dbraw/zinc/38/43/54/880384354.db2.gz ICJFJCMQUYFBNK-OAHLLOKOSA-N 0 0 402.882 4.397 20 30 HIEDRN Cc1ccc(Br)cc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466616828 880387618 /nfs/dbraw/zinc/38/76/18/880387618.db2.gz GLJWOJFLCXPPPN-UHFFFAOYSA-N 0 0 403.280 4.157 20 30 HIEDRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466620428 880391869 /nfs/dbraw/zinc/39/18/69/880391869.db2.gz MNKNOVODFKCUBT-SFHVURJKSA-N 0 0 418.501 4.119 20 30 HIEDRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)NCCc1cccc(C#N)c1 ZINC000466626556 880397290 /nfs/dbraw/zinc/39/72/90/880397290.db2.gz JUPMAWXNGAJVPR-UHFFFAOYSA-N 0 0 406.486 4.157 20 30 HIEDRN Cc1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000466645649 880420870 /nfs/dbraw/zinc/42/08/70/880420870.db2.gz XHHVAXKGSJNDGG-UHFFFAOYSA-N 0 0 422.488 4.125 20 30 HIEDRN O=C(NCc1c(F)cccc1OC(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000466675051 880462758 /nfs/dbraw/zinc/46/27/58/880462758.db2.gz DCYGJFQTCDLSSI-UHFFFAOYSA-N 0 0 424.263 4.453 20 30 HIEDRN COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)o1 ZINC000466676461 880464076 /nfs/dbraw/zinc/46/40/76/880464076.db2.gz LZBBUFYIHSYZDE-IBGZPJMESA-N 0 0 406.438 4.447 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)c1 ZINC000466685098 880474457 /nfs/dbraw/zinc/47/44/57/880474457.db2.gz ZHABSCHTBPQURJ-UHFFFAOYSA-N 0 0 418.284 4.143 20 30 HIEDRN CCc1c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1ccccc1 ZINC000466707800 880498899 /nfs/dbraw/zinc/49/88/99/880498899.db2.gz VGNBRYPEIKXVHO-UHFFFAOYSA-N 0 0 415.497 4.382 20 30 HIEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000466744453 880526896 /nfs/dbraw/zinc/52/68/96/880526896.db2.gz DWCCKLKROPGIEV-MRXNPFEDSA-N 0 0 402.516 4.345 20 30 HIEDRN Cc1cc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)nn1-c1cccc(Cl)c1 ZINC000466748064 880529989 /nfs/dbraw/zinc/52/99/89/880529989.db2.gz SBHSOOAHZMDRQM-QGZVFWFLSA-N 0 0 407.905 4.581 20 30 HIEDRN CCc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000466748087 880530048 /nfs/dbraw/zinc/53/00/48/880530048.db2.gz SISPNVDJWODYPW-UHFFFAOYSA-N 0 0 402.479 4.409 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 ZINC000466753774 880535180 /nfs/dbraw/zinc/53/51/80/880535180.db2.gz MYBKNRIPPBBSGR-UHFFFAOYSA-N 0 0 406.442 4.456 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000466755490 880535188 /nfs/dbraw/zinc/53/51/88/880535188.db2.gz ZAHWQXHTMCQLGJ-LJQANCHMSA-N 0 0 417.513 4.245 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](OC)c2ccc(F)cc2)cc1 ZINC000466799869 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HIAKZIMVFXDULZ-UHFFFAOYSA-N 0 0 406.404 4.301 20 30 HIEDRN CN(C(=O)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1)C1CCCCC1 ZINC000470848427 885346775 /nfs/dbraw/zinc/34/67/75/885346775.db2.gz SDSKMFGDMKWXRP-OAQYLSRUSA-N 0 0 414.509 4.284 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCc1ccccc1C(N)=O ZINC000470877948 885367685 /nfs/dbraw/zinc/36/76/85/885367685.db2.gz QTXFKEFZFNNBIM-UHFFFAOYSA-N 0 0 413.477 4.116 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000470894872 885393130 /nfs/dbraw/zinc/39/31/30/885393130.db2.gz OBTKNMCVGWNCGP-HNNXBMFYSA-N 0 0 419.403 4.182 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCN(CC(F)(F)F)C3)cc2F)c1 ZINC000470899561 885399980 /nfs/dbraw/zinc/39/99/80/885399980.db2.gz XUIPGGWPEBLOED-INIZCTEOSA-N 0 0 421.394 4.099 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCOCc3ccccc32)c1C#N ZINC000470938036 885440477 /nfs/dbraw/zinc/44/04/77/885440477.db2.gz RREGNCCOZBBDQR-UHFFFAOYSA-N 0 0 414.509 4.000 20 30 HIEDRN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471006049 885507817 /nfs/dbraw/zinc/50/78/17/885507817.db2.gz MGDPETYQAPUWNT-NQIIRXRSSA-N 0 0 410.949 4.166 20 30 HIEDRN N#C[C@@H]1CN(C(=O)C2(C3CCCCC3)CCCCC2)C[C@]12C(=O)Nc1ccccc12 ZINC000471040605 885551505 /nfs/dbraw/zinc/55/15/05/885551505.db2.gz KJUNRKQORNFCFY-CLOONOSVSA-N 0 0 405.542 4.389 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc3cccc(Br)c3n2)cc1 ZINC000471053264 885567501 /nfs/dbraw/zinc/56/75/01/885567501.db2.gz NPMZAPFLHKBYQC-INIZCTEOSA-N 0 0 405.255 4.190 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)OC(CC)(CC)O2 ZINC000471068939 885587642 /nfs/dbraw/zinc/58/76/42/885587642.db2.gz LBKSUGHUQKBZSF-UHFFFAOYSA-N 0 0 400.500 4.189 20 30 HIEDRN C[C@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000471093905 885623401 /nfs/dbraw/zinc/62/34/01/885623401.db2.gz CPJVKILKWAGGQR-MGPUTAFESA-N 0 0 401.432 4.287 20 30 HIEDRN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCCSCc1ccccc1C#N ZINC000471094734 885624648 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/nfs/dbraw/zinc/83/51/41/885835141.db2.gz FMEHLZGAETYXJO-KRWDZBQOSA-N 0 0 421.526 4.450 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3C(F)(F)F)C2)n1 ZINC000471260746 885839805 /nfs/dbraw/zinc/83/98/05/885839805.db2.gz RQJZAIYLUGQSIM-DOTOQJQBSA-N 0 0 416.447 4.374 20 30 HIEDRN Cc1cccc(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 ZINC000471274296 885853581 /nfs/dbraw/zinc/85/35/81/885853581.db2.gz VWJGFAQZANRXHG-UHFFFAOYSA-N 0 0 404.445 4.344 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3nc(-c4ccccc4)cs3)C2)n1 ZINC000471279659 885860368 /nfs/dbraw/zinc/86/03/68/885860368.db2.gz XGMHDIJCFBMEAA-SFHVURJKSA-N 0 0 403.511 4.240 20 30 HIEDRN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471301298 885889845 /nfs/dbraw/zinc/88/98/45/885889845.db2.gz PODDLRYHMUIPTK-OFNKIYASSA-N 0 0 418.541 4.023 20 30 HIEDRN CCCN(C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)[C@@H]1CCc2ccccc21 ZINC000471301554 885890039 /nfs/dbraw/zinc/89/00/39/885890039.db2.gz XESUESSBAYTURW-FYYLOGMGSA-N 0 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Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCc3cccc(Cl)c3Cl)C2)n1 ZINC000471351044 885966501 /nfs/dbraw/zinc/96/65/01/885966501.db2.gz RXLHTCFHFBKKNA-QGZVFWFLSA-N 0 0 417.340 4.144 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)c3cccc(OC(C)C)c3)C2)n1 ZINC000471351141 885966953 /nfs/dbraw/zinc/96/69/53/885966953.db2.gz TXTFTOTZWNHMEQ-NQIIRXRSSA-N 0 0 406.530 4.143 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(Br)ccc3C)C2)n1 ZINC000471351903 885968478 /nfs/dbraw/zinc/96/84/78/885968478.db2.gz MXQGMSXLPMVKKN-MRXNPFEDSA-N 0 0 413.319 4.188 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H](C)c3nc4ccccc4s3)C2)n1 ZINC000471353726 885970753 /nfs/dbraw/zinc/97/07/53/885970753.db2.gz NZCNLGWNLCJCTL-SJLPKXTDSA-N 0 0 419.554 4.307 20 30 HIEDRN CC(C)c1nc(Cn2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)ccc2=O)cs1 ZINC000471358761 885982876 /nfs/dbraw/zinc/98/28/76/885982876.db2.gz RZWRLYHQLRPXOY-UHFFFAOYSA-N 0 0 412.902 4.254 20 30 HIEDRN Cc1ccc(F)cc1-c1nnc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC000471362317 885990050 /nfs/dbraw/zinc/99/00/50/885990050.db2.gz NLLFRNKSROKMAL-SFHVURJKSA-N 0 0 423.473 4.130 20 30 HIEDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504092374 913002144 /nfs/dbraw/zinc/00/21/44/913002144.db2.gz NBPPVGBACBDKEP-VBKZILBWSA-N 0 0 423.351 4.148 20 30 HIEDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504092376 913002237 /nfs/dbraw/zinc/00/22/37/913002237.db2.gz NBPPVGBACBDKEP-XOBRGWDASA-N 0 0 423.351 4.148 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)C2)n1 ZINC000471407690 886060318 /nfs/dbraw/zinc/06/03/18/886060318.db2.gz TWQWTYRXKPMFHE-YFXJRYMSSA-N 0 0 402.542 4.130 20 30 HIEDRN CC[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000471407766 886060809 /nfs/dbraw/zinc/06/08/09/886060809.db2.gz UUUSQGHATBTCHB-RTBURBONSA-N 0 0 423.488 4.351 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(Oc4ccccn4)c3)C2)n1 ZINC000471412880 886067419 /nfs/dbraw/zinc/06/74/19/886067419.db2.gz UWPZIDHUSNXMNN-LJQANCHMSA-N 0 0 413.481 4.304 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(Cc3ccoc3)C3CCCCC3)C2)n1 ZINC000471424430 886078819 /nfs/dbraw/zinc/07/88/19/886078819.db2.gz MZZHPFZISMAORZ-NRFANRHFSA-N 0 0 406.530 4.433 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@@H]3C)C2)n1 ZINC000471425967 886082940 /nfs/dbraw/zinc/08/29/40/886082940.db2.gz CEJRPYNNVVAURS-FUKQBSRTSA-N 0 0 402.542 4.271 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)n1 ZINC000471430501 886088255 /nfs/dbraw/zinc/08/82/55/886088255.db2.gz DTOLFPZQMOYCIA-MRXNPFEDSA-N 0 0 413.403 4.007 20 30 HIEDRN Cc1cc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)nn1CCC#N ZINC000504096008 913007434 /nfs/dbraw/zinc/00/74/34/913007434.db2.gz IPDSVHBZHIJNMU-UHFFFAOYSA-N 0 0 407.522 4.289 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000504102750 913010530 /nfs/dbraw/zinc/01/05/30/913010530.db2.gz GOSBHLUBHCTCOW-MSOLQXFVSA-N 0 0 406.429 4.017 20 30 HIEDRN CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](COC)Cc1ccccc1 ZINC000471462132 886143748 /nfs/dbraw/zinc/14/37/48/886143748.db2.gz KTSUIMAXQQMUEP-OAQYLSRUSA-N 0 0 418.493 4.450 20 30 HIEDRN C=C(C)[C@H](NC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)c1ccc(F)c(F)c1 ZINC000471463023 886145895 /nfs/dbraw/zinc/14/58/95/886145895.db2.gz SOMLCIHJZBOTOY-NRFANRHFSA-N 0 0 413.424 4.447 20 30 HIEDRN CSc1nc(C)c(CCC(=O)Nc2ccccc2C#Cc2ccccc2)c(=O)[nH]1 ZINC000471514733 886215452 /nfs/dbraw/zinc/21/54/52/886215452.db2.gz NFFHBSIJJWTWMY-UHFFFAOYSA-N 0 0 403.507 4.184 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)c2)cc1 ZINC000471597962 886310875 /nfs/dbraw/zinc/31/08/75/886310875.db2.gz SOQWSXMRBWXRAS-AREMUKBSSA-N 0 0 410.473 4.409 20 30 HIEDRN CN(C)c1ccc(-c2cncc(C(=O)Nc3ncccc3OCCCC#N)c2)cc1 ZINC000471599966 886314896 /nfs/dbraw/zinc/31/48/96/886314896.db2.gz XWODUNUWRVQNMV-UHFFFAOYSA-N 0 0 401.470 4.144 20 30 HIEDRN CN(C(=O)c1cccc(NCc2nnc(-c3ccc(C#N)cc3)o2)c1)c1ccccc1 ZINC000471616973 886334540 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20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC(F)(F)C2)ccc1Oc1ccccc1 ZINC000504152959 913049606 /nfs/dbraw/zinc/04/96/06/913049606.db2.gz PFFGJMXNJUFVQW-HNNXBMFYSA-N 0 0 413.424 4.231 20 30 HIEDRN N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](COc3ccccc3)C2)c1 ZINC000504181041 913065588 /nfs/dbraw/zinc/06/55/88/913065588.db2.gz ATNITAQEBTWBJP-LJQANCHMSA-N 0 0 402.450 4.271 20 30 HIEDRN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000471858288 886630788 /nfs/dbraw/zinc/63/07/88/886630788.db2.gz GKWUYLCPLXHYBF-AVRDEDQJSA-N 0 0 415.497 4.278 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)C2)n1 ZINC000471885058 886666284 /nfs/dbraw/zinc/66/62/84/886666284.db2.gz OKRGYFWXJFYRHT-IRLDBZIGSA-N 0 0 406.505 4.275 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H](c4ccccc4)CC3)C2)n1 ZINC000471890893 886671790 /nfs/dbraw/zinc/67/17/90/886671790.db2.gz TZMLOVWUYNTCGN-FYYLOGMGSA-N 0 0 402.542 4.274 20 30 HIEDRN CC[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccc(Cl)s1 ZINC000471902537 886684219 /nfs/dbraw/zinc/68/42/19/886684219.db2.gz WSMGMPHCDUIVRN-CVEARBPZSA-N 0 0 402.951 4.461 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(Br)c3C)C2)n1 ZINC000471901280 886684368 /nfs/dbraw/zinc/68/43/68/886684368.db2.gz RZXRRXACXJACET-MRXNPFEDSA-N 0 0 413.319 4.188 20 30 HIEDRN CC[C@@H](NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccc(Cl)s1 ZINC000471902539 886684484 /nfs/dbraw/zinc/68/44/84/886684484.db2.gz WSMGMPHCDUIVRN-HZPDHXFCSA-N 0 0 402.951 4.461 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccccn4)cc3)C2)n1 ZINC000471908422 886692061 /nfs/dbraw/zinc/69/20/61/886692061.db2.gz FIJYMLLGOQQQKH-LJQANCHMSA-N 0 0 413.481 4.304 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3nc4cc(F)c(F)cc4s3)C2)n1 ZINC000471910670 886695733 /nfs/dbraw/zinc/69/57/33/886695733.db2.gz MDSWPAOJYBCPHQ-CYBMUJFWSA-N 0 0 413.453 4.005 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(C)c(OCC(F)F)c3)C2)n1 ZINC000471931909 886724544 /nfs/dbraw/zinc/72/45/44/886724544.db2.gz MOQCXEWYMIZFHS-KRWDZBQOSA-N 0 0 414.456 4.069 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000471942931 886742553 /nfs/dbraw/zinc/74/25/53/886742553.db2.gz LTBNYTAUBUPNCL-FPOVZHCZSA-N 0 0 414.456 4.191 20 30 HIEDRN Cc1cc(C)n(-c2ccccc2CNC(=O)NCCSCc2ccccc2C#N)n1 ZINC000471956721 886772314 /nfs/dbraw/zinc/77/23/14/886772314.db2.gz UZHHGCYKHOWGKJ-UHFFFAOYSA-N 0 0 419.554 4.093 20 30 HIEDRN CN1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000471979873 886808568 /nfs/dbraw/zinc/80/85/68/886808568.db2.gz PRBUDUBCAYBPMN-ROUUACIJSA-N 0 0 424.373 4.422 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000472019522 886842027 /nfs/dbraw/zinc/84/20/27/886842027.db2.gz WZPHGYHSIUKMOD-UHFFFAOYSA-N 0 0 407.792 4.444 20 30 HIEDRN O=C(NCCOCC(F)F)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000472038710 886856627 /nfs/dbraw/zinc/85/66/27/886856627.db2.gz ROMXMZPXYQGYEU-LLVKDONJSA-N 0 0 408.289 4.280 20 30 HIEDRN C=CCC[C@H](NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccccc1 ZINC000472061048 886870391 /nfs/dbraw/zinc/87/03/91/886870391.db2.gz ASRHKFSGZZENIW-UFYCRDLUSA-N 0 0 416.566 4.404 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)C[C@@H]3c3cccc(F)c3)C2)n1 ZINC000472080176 886881535 /nfs/dbraw/zinc/88/15/35/886881535.db2.gz LTKNGUZFLUOYIT-QGCDCVKKSA-N 0 0 406.505 4.227 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000472081016 886882640 /nfs/dbraw/zinc/88/26/40/886882640.db2.gz WQOBIAKYEXRPMR-UHFFFAOYSA-N 0 0 404.413 4.305 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)C[C@@H]3c3ccccc3F)C2)n1 ZINC000472105181 886895019 /nfs/dbraw/zinc/89/50/19/886895019.db2.gz AOGOIRIJZGATCQ-GTCCEBARSA-N 0 0 406.505 4.227 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000472107642 886896060 /nfs/dbraw/zinc/89/60/60/886896060.db2.gz FZAOOOQJVHVIFQ-NRFANRHFSA-N 0 0 419.504 4.187 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)nc1 ZINC000472128922 886919793 /nfs/dbraw/zinc/91/97/93/886919793.db2.gz WIZKVARJNWNBQF-NTYOPAKOSA-N 0 0 422.504 4.418 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000472134080 886926585 /nfs/dbraw/zinc/92/65/85/886926585.db2.gz FWCROZCHKCHAMU-HXUWFJFHSA-N 0 0 401.510 4.136 20 30 HIEDRN C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)n2C)nnc1-c1ccncc1 ZINC000472188595 886988140 /nfs/dbraw/zinc/98/81/40/886988140.db2.gz KSAIHCCUMFCPRH-UHFFFAOYSA-N 0 0 423.933 4.267 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCOc2ncccc2Cl)cc1 ZINC000472205375 887004871 /nfs/dbraw/zinc/00/48/71/887004871.db2.gz GJUJKOPXQACHFU-UHFFFAOYSA-N 0 0 411.820 4.347 20 30 HIEDRN Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000472221454 887024131 /nfs/dbraw/zinc/02/41/31/887024131.db2.gz GCHIPVPMUJTHMO-HSZRJFAPSA-N 0 0 402.498 4.081 20 30 HIEDRN N#C[C@]1(NC(=O)CCCc2ccc(Br)s2)CCc2ccccc2C1 ZINC000472256549 887066261 /nfs/dbraw/zinc/06/62/61/887066261.db2.gz KEERGCRBCLADMD-IBGZPJMESA-N 0 0 403.345 4.401 20 30 HIEDRN N#C[C@@]1(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)CCc2ccccc2C1 ZINC000472286829 887106152 /nfs/dbraw/zinc/10/61/52/887106152.db2.gz KUCVNPKEMQQPPP-XMMPIXPASA-N 0 0 416.550 4.080 20 30 HIEDRN CCCN1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1=O ZINC000472342952 887179117 /nfs/dbraw/zinc/17/91/17/887179117.db2.gz REPRRUNNFSVXTL-HXUWFJFHSA-N 0 0 424.932 4.472 20 30 HIEDRN N#C[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1cccc(Br)c1 ZINC000472347785 887182396 /nfs/dbraw/zinc/18/23/96/887182396.db2.gz JIBDZAZABLUAQE-HNNXBMFYSA-N 0 0 400.207 4.238 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000472351367 887186792 /nfs/dbraw/zinc/18/67/92/887186792.db2.gz SFMCBHFPIIHIBG-UHFFFAOYSA-N 0 0 411.305 4.153 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C(=O)c3cnn(-c4ccccc4)c3)cc2)c1 ZINC000504259344 913123992 /nfs/dbraw/zinc/12/39/92/913123992.db2.gz XMSFGZCVUCDRSU-UHFFFAOYSA-N 0 0 422.444 4.144 20 30 HIEDRN Cc1cc(-c2noc([C@H](C)NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)n2)ccc1F ZINC000472378751 887221106 /nfs/dbraw/zinc/22/11/06/887221106.db2.gz BORMWGFVDPFAQE-YWZLYKJASA-N 0 0 422.460 4.337 20 30 HIEDRN CCCCOc1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(Cl)c1 ZINC000472386331 887229862 /nfs/dbraw/zinc/22/98/62/887229862.db2.gz KKNYHEGBXHMYDG-WNSKOXEYSA-N 0 0 423.900 4.005 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)cc1OC ZINC000472388891 887232868 /nfs/dbraw/zinc/23/28/68/887232868.db2.gz ZPTALWCPHUGXEY-HNNXBMFYSA-N 0 0 407.470 4.363 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC(O)(CC)CC ZINC000472395727 887242648 /nfs/dbraw/zinc/24/26/48/887242648.db2.gz HCRGHYGVMRNNQT-UHFFFAOYSA-N 0 0 401.320 4.227 20 30 HIEDRN COCCCC[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000472451418 887304517 /nfs/dbraw/zinc/30/45/17/887304517.db2.gz WFDGBCQITSRIIB-HSZRJFAPSA-N 0 0 420.557 4.338 20 30 HIEDRN COc1ccc2c(c1)nc(CNC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)n2C ZINC000472468908 887329503 /nfs/dbraw/zinc/32/95/03/887329503.db2.gz UPTNDWPWJLTAOD-UHFFFAOYSA-N 0 0 412.449 4.176 20 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C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000504319915 913165503 /nfs/dbraw/zinc/16/55/03/913165503.db2.gz CKJBJCXLFSUJMD-YWZLYKJASA-N 0 0 417.431 4.291 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000472813875 887657513 /nfs/dbraw/zinc/65/75/13/887657513.db2.gz NAVCOOQVNJQNGM-UHFFFAOYSA-N 0 0 417.465 4.075 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000472818123 887661871 /nfs/dbraw/zinc/66/18/71/887661871.db2.gz JQHQUPLEZVPIEK-UHFFFAOYSA-N 0 0 401.388 4.120 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000472818664 887662052 /nfs/dbraw/zinc/66/20/52/887662052.db2.gz VVURMBUHLUNDJA-UHFFFAOYSA-N 0 0 408.889 4.069 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](COC)c1ccco1 ZINC000472825696 887672528 /nfs/dbraw/zinc/67/25/28/887672528.db2.gz MBZKKJYGUFMDGZ-INIZCTEOSA-N 0 0 411.271 4.267 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000472831984 887681611 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O=C(Nc1ccccc1C#Cc1ccccc1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000472851840 887707054 /nfs/dbraw/zinc/70/70/54/887707054.db2.gz MIONYQKAQWRSHO-XMMPIXPASA-N 0 0 409.489 4.182 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccccc1 ZINC000472866362 887720586 /nfs/dbraw/zinc/72/05/86/887720586.db2.gz SPYIUFZMNBNZNY-GOSISDBHSA-N 0 0 408.889 4.288 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)CC2)o1 ZINC000472924430 887770776 /nfs/dbraw/zinc/77/07/76/887770776.db2.gz HKXXXZVSCSCXJB-NSHDSACASA-N 0 0 407.301 4.255 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000472936796 887784937 /nfs/dbraw/zinc/78/49/37/887784937.db2.gz BOVOFGJQRVMDTQ-UHFFFAOYSA-N 0 0 422.525 4.096 20 30 HIEDRN Cc1csc(N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)c2ccccc2)n1 ZINC000472938062 887786746 /nfs/dbraw/zinc/78/67/46/887786746.db2.gz VRMSTZRAANLQAV-UHFFFAOYSA-N 0 0 407.499 4.201 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000472944158 887793884 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LTCOVKMUJVJKOB-OAHLLOKOSA-N 0 0 400.360 4.339 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000473176620 887955482 /nfs/dbraw/zinc/95/54/82/887955482.db2.gz LBJADRCJZDRMMG-NBGIEHNGSA-N 0 0 403.526 4.070 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000473176621 887955726 /nfs/dbraw/zinc/95/57/26/887955726.db2.gz LBJADRCJZDRMMG-NLFFAJNJSA-N 0 0 403.526 4.070 20 30 HIEDRN N#Cc1ccc(OC[C@H](O)CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000473183134 887962019 /nfs/dbraw/zinc/96/20/19/887962019.db2.gz GTIRPOZRVWEHCH-QUCCMNQESA-N 0 0 422.472 4.107 20 30 HIEDRN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H]1c1cccc(F)c1 ZINC000473195029 887973804 /nfs/dbraw/zinc/97/38/04/887973804.db2.gz RHRNJJWJTHILIJ-KPZWWZAWSA-N 0 0 419.378 4.264 20 30 HIEDRN CN(Cc1nccs1)C(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000473200275 887977079 /nfs/dbraw/zinc/97/70/79/887977079.db2.gz JQAOHAWERJKBEY-KRWDZBQOSA-N 0 0 424.913 4.049 20 30 HIEDRN 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888301424 /nfs/dbraw/zinc/30/14/24/888301424.db2.gz MURMGINQVWPGHN-SFHVURJKSA-N 0 0 410.251 4.294 20 30 HIEDRN Cc1ccc(-c2ocnc2C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000473563734 888304966 /nfs/dbraw/zinc/30/49/66/888304966.db2.gz RUPWNXCOWPKXST-HXUWFJFHSA-N 0 0 420.900 4.326 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000473565630 888305422 /nfs/dbraw/zinc/30/54/22/888305422.db2.gz FXGAQHCAETZTJB-HSZRJFAPSA-N 0 0 416.912 4.425 20 30 HIEDRN Cn1cc([C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C(C)(C)C)cn1 ZINC000473564702 888305598 /nfs/dbraw/zinc/30/55/98/888305598.db2.gz YKRDPDLPNVDKPS-QFIPXVFZSA-N 0 0 402.498 4.388 20 30 HIEDRN Cc1nc(-c2ccccc2)oc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473567159 888307036 /nfs/dbraw/zinc/30/70/36/888307036.db2.gz IRPLYRXDLQDFID-FQEVSTJZSA-N 0 0 420.900 4.326 20 30 HIEDRN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473567909 888308624 /nfs/dbraw/zinc/30/86/24/888308624.db2.gz HILYQDRFWCHYLZ-QFIPXVFZSA-N 0 0 422.891 4.358 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000473570055 888309768 /nfs/dbraw/zinc/30/97/68/888309768.db2.gz LANDAEWZXWDYDT-GOSISDBHSA-N 0 0 424.844 4.017 20 30 HIEDRN Cc1ccc(CCCC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000473571853 888311701 /nfs/dbraw/zinc/31/17/01/888311701.db2.gz SJGLBBUYABIQQI-HXUWFJFHSA-N 0 0 401.963 4.442 20 30 HIEDRN Cc1ccsc1CCCC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473574016 888314675 /nfs/dbraw/zinc/31/46/75/888314675.db2.gz WTHSWHFUOZGHQP-LJQANCHMSA-N 0 0 401.963 4.442 20 30 HIEDRN Cc1ccsc1CCCC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473574015 888314900 /nfs/dbraw/zinc/31/49/00/888314900.db2.gz WTHSWHFUOZGHQP-IBGZPJMESA-N 0 0 401.963 4.442 20 30 HIEDRN Cc1[nH]c2ccccc2c1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000473574942 888316281 /nfs/dbraw/zinc/31/62/81/888316281.db2.gz GCXRMCHVOIOARD-JOCHJYFZSA-N 0 0 406.917 4.081 20 30 HIEDRN C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000473581493 888323374 /nfs/dbraw/zinc/32/33/74/888323374.db2.gz DYCKUIJHDUSGBX-HNAYVOBHSA-N 0 0 403.507 4.141 20 30 HIEDRN COc1ccc2c(CC(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)coc2c1 ZINC000473582557 888323790 /nfs/dbraw/zinc/32/37/90/888323790.db2.gz LUHYSQIWLYSHQL-NRFANRHFSA-N 0 0 423.900 4.046 20 30 HIEDRN CC(C)CCOc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)c1 ZINC000473634870 888376187 /nfs/dbraw/zinc/37/61/87/888376187.db2.gz ADBGTMSCQMHDIP-QFIPXVFZSA-N 0 0 405.498 4.113 20 30 HIEDRN Cc1csc(NC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 ZINC000473701342 888476755 /nfs/dbraw/zinc/47/67/55/888476755.db2.gz YKTODPXWBMJIQV-UHFFFAOYSA-N 0 0 409.437 4.450 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)c1ccc(=O)n(Cc2csc(C(C)C)n2)c1 ZINC000473716483 888494385 /nfs/dbraw/zinc/49/43/85/888494385.db2.gz OYRXEZSVEIYFRG-UHFFFAOYSA-N 0 0 414.575 4.269 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1ccc(OC)cc1Cl ZINC000473725367 888502456 /nfs/dbraw/zinc/50/24/56/888502456.db2.gz NPLXLIPLDGZZFO-UHFFFAOYSA-N 0 0 403.866 4.197 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCCC(F)(F)C3)cc2)cc1 ZINC000504442728 913253553 /nfs/dbraw/zinc/25/35/53/913253553.db2.gz OBTXOAKXYOKGPE-MRXNPFEDSA-N 0 0 413.424 4.231 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000504445433 913254843 /nfs/dbraw/zinc/25/48/43/913254843.db2.gz YBXTWFLWPSZYEF-WMZOPIPTSA-N 0 0 401.555 4.172 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000504448445 913257460 /nfs/dbraw/zinc/25/74/60/913257460.db2.gz LEWGNKQDYJNGJI-UHFFFAOYSA-N 0 0 403.438 4.228 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000473778437 888580762 /nfs/dbraw/zinc/58/07/62/888580762.db2.gz UVVJUELSFSSNAM-MDNUFGMLSA-N 0 0 405.498 4.411 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)CSc1ccc(C)cc1 ZINC000473786941 888597961 /nfs/dbraw/zinc/59/79/61/888597961.db2.gz UTOBUDSKUKZVAC-MRXNPFEDSA-N 0 0 406.515 4.058 20 30 HIEDRN N#CCCn1ccc(NC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000473827668 888660292 /nfs/dbraw/zinc/66/02/92/888660292.db2.gz HSMJVOHXGUVJCE-UHFFFAOYSA-N 0 0 422.316 4.317 20 30 HIEDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC000473833863 888670293 /nfs/dbraw/zinc/67/02/93/888670293.db2.gz DSOJWCKNHPRYDY-ACJLOTCBSA-N 0 0 416.308 4.233 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000473848801 888696682 /nfs/dbraw/zinc/69/66/82/888696682.db2.gz ISTGHPOMMGYHAQ-UHFFFAOYSA-N 0 0 415.449 4.118 20 30 HIEDRN N#Cc1cc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)ccc1OCC(F)(F)F ZINC000504475523 913273123 /nfs/dbraw/zinc/27/31/23/913273123.db2.gz PJSZEAXOVKRACG-OAHLLOKOSA-N 0 0 418.419 4.147 20 30 HIEDRN C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1cc2cccc(F)c2o1 ZINC000473871915 888732611 /nfs/dbraw/zinc/73/26/11/888732611.db2.gz CGSVQJGHWYUZHN-AWEZNQCLSA-N 0 0 410.424 4.175 20 30 HIEDRN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000473882688 888749579 /nfs/dbraw/zinc/74/95/79/888749579.db2.gz CITMVIRWGIVYBB-QFIPXVFZSA-N 0 0 409.480 4.164 20 30 HIEDRN CCOc1ccc(C(=O)CCC(=O)Nc2nc(C)c(SCC#N)s2)cc1F ZINC000473951437 888825189 /nfs/dbraw/zinc/82/51/89/888825189.db2.gz OAUOMHSFHZWDRV-UHFFFAOYSA-N 0 0 407.492 4.207 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(OC)ccc1Br ZINC000474056629 888892986 /nfs/dbraw/zinc/89/29/86/888892986.db2.gz LRPMFKJKOSHSKQ-CYBMUJFWSA-N 0 0 423.332 4.101 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(OC3COC3)cc2)cc1C ZINC000474141747 888965105 /nfs/dbraw/zinc/96/51/05/888965105.db2.gz MWJHNLGNOCROSQ-UHFFFAOYSA-N 0 0 416.481 4.111 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](OC(C)C)c1ccccc1OC ZINC000474144478 888969277 /nfs/dbraw/zinc/96/92/77/888969277.db2.gz ASGWNCIRJMBWHM-QHCPKHFHSA-N 0 0 407.514 4.431 20 30 HIEDRN CCN1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474153879 888985616 /nfs/dbraw/zinc/98/56/16/888985616.db2.gz MLGHWKAMOBGLNB-NHCUHLMSSA-N 0 0 411.908 4.334 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)Cn3cc(-c4ccccc4)nn3)c2)c1 ZINC000474176653 889015512 /nfs/dbraw/zinc/01/55/12/889015512.db2.gz ZIAJFIUFNAAKMF-UHFFFAOYSA-N 0 0 409.449 4.034 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1Cl ZINC000504533875 913313210 /nfs/dbraw/zinc/31/32/10/913313210.db2.gz TXGDCOGLNWOVFE-LJQANCHMSA-N 0 0 410.905 4.176 20 30 HIEDRN N#CC[C@@H](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000474292673 889156718 /nfs/dbraw/zinc/15/67/18/889156718.db2.gz NNJUWOIUOBWYFJ-HNNXBMFYSA-N 0 0 420.391 4.229 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)nn1-c1cccc(C#N)c1 ZINC000504540573 913319039 /nfs/dbraw/zinc/31/90/39/913319039.db2.gz XDCXNOAPKFYQFD-GOSISDBHSA-N 0 0 410.264 4.354 20 30 HIEDRN CN(CC#N)C(=O)c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000504548200 913325226 /nfs/dbraw/zinc/32/52/26/913325226.db2.gz VCBVMOPXPMFIOA-UHFFFAOYSA-N 0 0 408.310 4.320 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000504554600 913328069 /nfs/dbraw/zinc/32/80/69/913328069.db2.gz LDUMMTOSUJAPGH-IBGZPJMESA-N 0 0 423.300 4.379 20 30 HIEDRN Cc1onc(-c2ccccc2C)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000474415161 889278941 /nfs/dbraw/zinc/27/89/41/889278941.db2.gz ROXXRBSFGBPEHI-UHFFFAOYSA-N 0 0 414.509 4.178 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(Cl)c1 ZINC000474417064 889281387 /nfs/dbraw/zinc/28/13/87/889281387.db2.gz XHBVILHQMKLDKD-UHFFFAOYSA-N 0 0 420.918 4.457 20 30 HIEDRN CC[C@@H](CSc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000504560690 913333382 /nfs/dbraw/zinc/33/33/82/913333382.db2.gz JBSIOPLDUCGCDV-AWEZNQCLSA-N 0 0 421.444 4.203 20 30 HIEDRN CCO[C@@H]1C[C@](O)(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1(C)C ZINC000474487850 889348392 /nfs/dbraw/zinc/34/83/92/889348392.db2.gz KSEMCCHIBLZERE-OFNKIYASSA-N 0 0 409.486 4.038 20 30 HIEDRN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1C ZINC000474498828 889359650 /nfs/dbraw/zinc/35/96/50/889359650.db2.gz UTOOJMPVXNJBOQ-UTKZUKDTSA-N 0 0 421.497 4.109 20 30 HIEDRN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000474527614 889398563 /nfs/dbraw/zinc/39/85/63/889398563.db2.gz VVEHBCOIMOYSKJ-SSOJOUAXSA-N 0 0 413.477 4.304 20 30 HIEDRN C=C(C)COCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000474545529 889422983 /nfs/dbraw/zinc/42/29/83/889422983.db2.gz ZRFWOCPLDMEAQB-UHFFFAOYSA-N 0 0 420.849 4.372 20 30 HIEDRN CSc1nnc(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)n1C1CCCC1 ZINC000474580107 889453019 /nfs/dbraw/zinc/45/30/19/889453019.db2.gz SHCFYEKWYSAOPV-GOSISDBHSA-N 0 0 411.575 4.251 20 30 HIEDRN C=CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000474587866 889458225 /nfs/dbraw/zinc/45/82/25/889458225.db2.gz VROIYWSXIVBWLY-QFIPXVFZSA-N 0 0 407.489 4.121 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)CC2)c1 ZINC000474608723 889473762 /nfs/dbraw/zinc/47/37/62/889473762.db2.gz XNQYAQXYEIRSJY-DEOSSOPVSA-N 0 0 421.516 4.122 20 30 HIEDRN C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000504590452 913350141 /nfs/dbraw/zinc/35/01/41/913350141.db2.gz QWIPNOXBIYXQPB-HXUWFJFHSA-N 0 0 415.541 4.115 20 30 HIEDRN N#C[C@@]1(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCc2ccccc2C1 ZINC000474648586 889510426 /nfs/dbraw/zinc/51/04/26/889510426.db2.gz BHGPIKVXLBOTDF-HXUWFJFHSA-N 0 0 412.262 4.251 20 30 HIEDRN N#C[C@]1(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCc2ccccc2C1 ZINC000474648584 889510741 /nfs/dbraw/zinc/51/07/41/889510741.db2.gz BHGPIKVXLBOTDF-FQEVSTJZSA-N 0 0 412.262 4.251 20 30 HIEDRN Cc1ccc(CN(CCO)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)o1 ZINC000474657807 889521389 /nfs/dbraw/zinc/52/13/89/889521389.db2.gz GWBUFQBRBPSONQ-SFHVURJKSA-N 0 0 403.482 4.392 20 30 HIEDRN COc1ccc(F)c2[nH]c(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc21 ZINC000474696618 889556133 /nfs/dbraw/zinc/55/61/33/889556133.db2.gz HEVBZQBGADGAGS-HNNXBMFYSA-N 0 0 402.223 4.073 20 30 HIEDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)n1 ZINC000474697876 889556263 /nfs/dbraw/zinc/55/62/63/889556263.db2.gz 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C=C(C)[C@@H](NC(=O)NCc1cccc(C(=O)NCCC)c1)c1ccc(F)c(F)c1 ZINC000476856351 891824809 /nfs/dbraw/zinc/82/48/09/891824809.db2.gz RCZMDYTYSUDDGV-HXUWFJFHSA-N 0 0 401.457 4.221 20 30 HIEDRN C=C(C)[C@@H](NC(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000476879041 891838266 /nfs/dbraw/zinc/83/82/66/891838266.db2.gz DJWXGFRUVSKNMJ-JOCHJYFZSA-N 0 0 413.468 4.204 20 30 HIEDRN COC(=O)C[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccc(Br)cc1 ZINC000476887214 891846165 /nfs/dbraw/zinc/84/61/65/891846165.db2.gz ZIIOZPNVZRXRKL-KRWDZBQOSA-N 0 0 416.275 4.055 20 30 HIEDRN CC(C)(C#N)CCC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1 ZINC000476891891 891849985 /nfs/dbraw/zinc/84/99/85/891849985.db2.gz VUNXRJGHDMEDKC-JOCHJYFZSA-N 0 0 402.339 4.139 20 30 HIEDRN CC(C)Oc1cc(CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C2CC2)ccn1 ZINC000504877715 913607958 /nfs/dbraw/zinc/60/79/58/913607958.db2.gz WENVLZOLCVRVKC-UHFFFAOYSA-N 0 0 420.513 4.040 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nc2c(s1)CCCC2 ZINC000477007041 891933791 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CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000477097492 892030663 /nfs/dbraw/zinc/03/06/63/892030663.db2.gz KJSUSPILTDTDSL-GOSISDBHSA-N 0 0 412.331 4.259 20 30 HIEDRN N#CC1(F)CCN(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CC1 ZINC000477099578 892032685 /nfs/dbraw/zinc/03/26/85/892032685.db2.gz ZRWYERGTPADNHY-UHFFFAOYSA-N 0 0 420.897 4.191 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000477146214 892070636 /nfs/dbraw/zinc/07/06/36/892070636.db2.gz AKSCOUJNYUPQKM-NRFANRHFSA-N 0 0 406.917 4.164 20 30 HIEDRN Cc1nc([C@H](C)N2CCN(c3ncccc3C#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000477155824 892079437 /nfs/dbraw/zinc/07/94/37/892079437.db2.gz FVZXUVQTVUXPBT-INIZCTEOSA-N 0 0 407.905 4.453 20 30 HIEDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477235644 892180204 /nfs/dbraw/zinc/18/02/04/892180204.db2.gz DIEZBHHAIOAJEA-UHFFFAOYSA-N 0 0 402.347 4.210 20 30 HIEDRN CC(=O)c1ccc(SCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000477248772 892200028 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COc1ccc(NC(=O)[C@H](C)SCCCOc2cccc(C#N)c2)cc1OC ZINC000477366683 892330025 /nfs/dbraw/zinc/33/00/25/892330025.db2.gz OMXLRAUCAIBLNW-HNNXBMFYSA-N 0 0 400.500 4.105 20 30 HIEDRN Cc1nc2ccccc2n1C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000477380109 892341042 /nfs/dbraw/zinc/34/10/42/892341042.db2.gz NWZSSRNIKNGYSU-UHFFFAOYSA-N 0 0 402.498 4.238 20 30 HIEDRN N#CC1(N(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C2CC2)CCC1 ZINC000477395516 892351079 /nfs/dbraw/zinc/35/10/79/892351079.db2.gz VVADBPVOUBNEOQ-UHFFFAOYSA-N 0 0 407.474 4.186 20 30 HIEDRN CCOc1ccc([C@H](NS(=O)(=O)CC2(C#N)CCC2)c2cccc(Cl)c2)cc1 ZINC000477472678 892452588 /nfs/dbraw/zinc/45/25/88/892452588.db2.gz FYYOJNJPGWJONZ-FQEVSTJZSA-N 0 0 418.946 4.441 20 30 HIEDRN CN(C[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477487332 892481597 /nfs/dbraw/zinc/48/15/97/892481597.db2.gz VLDYCYWJHGLZPA-NQIIRXRSSA-N 0 0 411.477 4.291 20 30 HIEDRN C=C(C)CS(=O)(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000477498873 892505651 /nfs/dbraw/zinc/50/56/51/892505651.db2.gz KQNITIRAOGYUFB-LBPRGKRZSA-N 0 0 415.378 4.438 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1 ZINC000504932131 913672673 /nfs/dbraw/zinc/67/26/73/913672673.db2.gz YWDBBQWTSVGDKA-UHFFFAOYSA-N 0 0 413.783 4.353 20 30 HIEDRN COc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)cc1N1CCCC1=O ZINC000477579959 892644464 /nfs/dbraw/zinc/64/44/64/892644464.db2.gz ZFKPXWZJPMENOZ-UHFFFAOYSA-N 0 0 420.513 4.384 20 30 HIEDRN N#Cc1cccc(OCCCNc2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000477587215 892659169 /nfs/dbraw/zinc/65/91/69/892659169.db2.gz XOSHXHCKIIVGCW-UHFFFAOYSA-N 0 0 406.507 4.413 20 30 HIEDRN C=C(C)CN(C)C(=O)Nc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 ZINC000477614195 892708546 /nfs/dbraw/zinc/70/85/46/892708546.db2.gz NVGANOTZLSFTSL-UHFFFAOYSA-N 0 0 409.530 4.302 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000477641350 892765190 /nfs/dbraw/zinc/76/51/90/892765190.db2.gz GGTSVEBAZRIHHH-MRXNPFEDSA-N 0 0 409.230 4.099 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(COC(C)C)cc1)c1ccc(F)c(F)c1 ZINC000477642819 892769250 /nfs/dbraw/zinc/76/92/50/892769250.db2.gz YHUYQCFQLJALSO-HXUWFJFHSA-N 0 0 402.441 4.262 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C)c1)c1ccc(F)c(F)c1 ZINC000477644652 892772449 /nfs/dbraw/zinc/77/24/49/892772449.db2.gz SPISSZUTKCPIEU-QGZVFWFLSA-N 0 0 423.257 4.408 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccc(F)c(F)c1 ZINC000477646964 892776652 /nfs/dbraw/zinc/77/66/52/892776652.db2.gz AHDNNXKCJCFFQM-HXUWFJFHSA-N 0 0 424.451 4.101 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1=CCCCC1 ZINC000477654055 892783531 /nfs/dbraw/zinc/78/35/31/892783531.db2.gz MIPOQHIBSAIVNN-UHFFFAOYSA-N 0 0 423.435 4.081 20 30 HIEDRN Cc1nc(SCC(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c(C#N)c(C)c1C ZINC000477662090 892800295 /nfs/dbraw/zinc/80/02/95/892800295.db2.gz KREPBDYFOBCAMI-UHFFFAOYSA-N 0 0 409.490 4.149 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccc(F)c(F)c1 ZINC000477661641 892800548 /nfs/dbraw/zinc/80/05/48/892800548.db2.gz LLBIESHSMFTIDJ-MRXNPFEDSA-N 0 0 420.366 4.151 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000477676408 892806216 /nfs/dbraw/zinc/80/62/16/892806216.db2.gz CAHSNYUMDJAXHB-MRXNPFEDSA-N 0 0 414.330 4.236 20 30 HIEDRN C[C@@H](CCc1ccc(I)cc1)NC(=O)C1(C#N)CCCCC1 ZINC000477682242 892808601 /nfs/dbraw/zinc/80/86/01/892808601.db2.gz XWIUGPAFQDMYTK-AWEZNQCLSA-N 0 0 410.299 4.203 20 30 HIEDRN C=C(C)[C@H](NC(=O)N1CCC(NC(=O)c2ccoc2C)CC1)c1ccc(F)c(F)c1 ZINC000477739084 892835531 /nfs/dbraw/zinc/83/55/31/892835531.db2.gz GIMMXARJCHYQQD-FQEVSTJZSA-N 0 0 417.456 4.087 20 30 HIEDRN Cc1sc2ncnc(N3CCC(C(=O)N(CCC#N)CC(C)(C)C)CC3)c2c1C ZINC000477766242 892853592 /nfs/dbraw/zinc/85/35/92/892853592.db2.gz DICKAEHKXKQKNP-UHFFFAOYSA-N 0 0 413.591 4.313 20 30 HIEDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NCCSCc1ccccc1C#N ZINC000477814163 892884007 /nfs/dbraw/zinc/88/40/07/892884007.db2.gz WNOPVQMHNKFCKK-UHFFFAOYSA-N 0 0 405.527 4.023 20 30 HIEDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000477851973 892911474 /nfs/dbraw/zinc/91/14/74/892911474.db2.gz DXEWSTKLJOBMNI-CQSZACIVSA-N 0 0 403.404 4.076 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000477919361 893003439 /nfs/dbraw/zinc/00/34/39/893003439.db2.gz QLDWUPKMHRAKGG-UXHICEINSA-N 0 0 420.406 4.416 20 30 HIEDRN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000477940332 893030310 /nfs/dbraw/zinc/03/03/10/893030310.db2.gz NTMHSZIGHJJOFG-GFCCVEGCSA-N 0 0 411.815 4.375 20 30 HIEDRN COc1ccc(C[C@@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000477955961 893046740 /nfs/dbraw/zinc/04/67/40/893046740.db2.gz QFJFTELGCDRZAX-OAHLLOKOSA-N 0 0 420.431 4.005 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)CCN(Cc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000478043765 893180981 /nfs/dbraw/zinc/18/09/81/893180981.db2.gz AEYKJYKJXIZQMD-UHFFFAOYSA-N 0 0 400.887 4.285 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 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N#Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cn3)c2)c1 ZINC000505102052 913817486 /nfs/dbraw/zinc/81/74/86/913817486.db2.gz FSCUERZZHWLDSP-UHFFFAOYSA-N 0 0 421.254 4.220 20 30 HIEDRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(C#N)cn1C ZINC000478686177 893942568 /nfs/dbraw/zinc/94/25/68/893942568.db2.gz GVWXJKCGVFAXOB-GOSISDBHSA-N 0 0 404.436 4.047 20 30 HIEDRN N#Cc1c2c(sc1NC(=O)CCSc1nc3cc(F)c(F)cc3[nH]1)CCC2 ZINC000478734211 894009966 /nfs/dbraw/zinc/00/99/66/894009966.db2.gz BGYDZAVNTSZKLW-UHFFFAOYSA-N 0 0 404.467 4.384 20 30 HIEDRN C=CCn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1cccc(OC)c1 ZINC000478736546 894010820 /nfs/dbraw/zinc/01/08/20/894010820.db2.gz YJWRIEGZWQDXES-IBGZPJMESA-N 0 0 406.511 4.185 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CCCN(c2ccccc2F)C1=O ZINC000478740772 894015981 /nfs/dbraw/zinc/01/59/81/894015981.db2.gz AFQFICXTYZGVSR-FQEVSTJZSA-N 0 0 422.529 4.482 20 30 HIEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C#N)ccc1Cl ZINC000505126744 913831486 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HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000478860403 894140674 /nfs/dbraw/zinc/14/06/74/894140674.db2.gz DIAIRXVCYJKSHU-UHFFFAOYSA-N 0 0 412.795 4.179 20 30 HIEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000478882567 894160526 /nfs/dbraw/zinc/16/05/26/894160526.db2.gz HHZHDGFHVCCVFV-UHFFFAOYSA-N 0 0 415.415 4.096 20 30 HIEDRN C=C(C)[C@H](NC(=O)CCC(=O)Nc1nnc(C(C)C)s1)c1ccc(F)c(F)c1 ZINC000478918964 894199117 /nfs/dbraw/zinc/19/91/17/894199117.db2.gz GYJCCYFCNPIING-KRWDZBQOSA-N 0 0 408.474 4.092 20 30 HIEDRN C=C(C)[C@H](NC(=O)CSCC(=O)Nc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000478920029 894200267 /nfs/dbraw/zinc/20/02/67/894200267.db2.gz DBOYGWQHMBINEW-NRFANRHFSA-N 0 0 404.482 4.379 20 30 HIEDRN C=C(C)[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000478919475 894201595 /nfs/dbraw/zinc/20/15/95/894201595.db2.gz ASTBVIRNKXPIHI-SFHVURJKSA-N 0 0 412.358 4.147 20 30 HIEDRN N#Cc1cc(Cl)ccc1CSCc1nnnn1-c1ccccc1Br ZINC000478922897 894202873 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CCC1(CC)CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)C1 ZINC000479098180 894364042 /nfs/dbraw/zinc/36/40/42/894364042.db2.gz NMVNWKAJAAWTOC-UHFFFAOYSA-N 0 0 413.465 4.298 20 30 HIEDRN N#C[C@H](NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000479120168 894389202 /nfs/dbraw/zinc/38/92/02/894389202.db2.gz URQMHEAZFSVGFS-HNNXBMFYSA-N 0 0 422.350 4.353 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CCC(F)(C#N)CC2)c1C ZINC000479130682 894399677 /nfs/dbraw/zinc/39/96/77/894399677.db2.gz HMLHESQWLMBPAS-UHFFFAOYSA-N 0 0 420.286 4.111 20 30 HIEDRN C=CCCCN1C(=O)N[C@@H](c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)C1=O ZINC000479138040 894406663 /nfs/dbraw/zinc/40/66/63/894406663.db2.gz SGDZSSWLWCXNSB-KRWDZBQOSA-N 0 0 406.408 4.067 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)cc1OC ZINC000479138624 894408880 /nfs/dbraw/zinc/40/88/80/894408880.db2.gz ZEELYRBOURWSDE-GOSISDBHSA-N 0 0 423.387 4.080 20 30 HIEDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N(CCC#N)CCC(C)C)cc2)cc1 ZINC000505182530 913867043 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Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(CCC#N)Cc1ccccn1 ZINC000505195482 913875191 /nfs/dbraw/zinc/87/51/91/913875191.db2.gz AGSCFLCKHGFHDS-UHFFFAOYSA-N 0 0 422.485 4.399 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCc3c(O)cccc32)cc1 ZINC000479255104 894521442 /nfs/dbraw/zinc/52/14/42/894521442.db2.gz LERBRYFFGPUFJX-NRFANRHFSA-N 0 0 405.498 4.406 20 30 HIEDRN O=C(Cc1ccc(OCc2ccccn2)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000505199223 913877558 /nfs/dbraw/zinc/87/75/58/913877558.db2.gz UPBMXPPXNSDSFF-UHFFFAOYSA-N 0 0 424.422 4.390 20 30 HIEDRN Cc1cc(-c2cc(C(=O)N(CCC#N)Cc3ccccn3)c3c(C)noc3n2)c(C)o1 ZINC000505214347 913887477 /nfs/dbraw/zinc/88/74/77/913887477.db2.gz ZFPHLUHGDLRBOT-UHFFFAOYSA-N 0 0 415.453 4.359 20 30 HIEDRN COc1ccc(C[C@H](NC(=O)Cc2c(F)cccc2C#N)c2ccc(OC)cc2)cc1 ZINC000505218173 913889850 /nfs/dbraw/zinc/88/98/50/913889850.db2.gz GTVANRKZJLRKGM-DEOSSOPVSA-N 0 0 418.468 4.357 20 30 HIEDRN Cc1ccc2c(ncc(C#N)c2NCc2cccnc2-n2cccn2)c1Br ZINC000479369541 894669761 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CCOC(=O)c1c(C)c2ccccc2nc1[C@H](C#N)C(=O)Nc1cc(F)cc(F)c1 ZINC000505434370 914098548 /nfs/dbraw/zinc/09/85/48/914098548.db2.gz XFDUVWVPIWQMPL-KRWDZBQOSA-N 0 0 409.392 4.244 20 30 HIEDRN C=CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1cccc(Cl)c1 ZINC000481387862 896788387 /nfs/dbraw/zinc/78/83/87/896788387.db2.gz PGZGDAUDZHZMMR-UHFFFAOYSA-N 0 0 416.909 4.332 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@H](C)c2ccc(C)c(C)c2)nnc1-c1ccccn1 ZINC000481389967 896793474 /nfs/dbraw/zinc/79/34/74/896793474.db2.gz JUYCBGGSKZYSEI-QGZVFWFLSA-N 0 0 407.543 4.112 20 30 HIEDRN C=CCn1c(SCC(=O)N(C)Cc2ccc(OC)cc2)nnc1-c1ccccc1C ZINC000481391531 896796496 /nfs/dbraw/zinc/79/64/96/896796496.db2.gz POBLRAIHAVMCEM-UHFFFAOYSA-N 0 0 422.554 4.199 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(F)cc2)nnc1-c1cccs1 ZINC000481391525 896796848 /nfs/dbraw/zinc/79/68/48/896796848.db2.gz INQLWCOKWAHRCK-ZDUSSCGKSA-N 0 0 402.520 4.129 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nnc1-c1ccccn1 ZINC000481393769 896800728 /nfs/dbraw/zinc/80/07/28/896800728.db2.gz ZSZMTZMBBPKILL-LBPRGKRZSA-N 0 0 417.897 4.438 20 30 HIEDRN CCCN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)c2ccc(F)cc21 ZINC000481393671 896800919 /nfs/dbraw/zinc/80/09/19/896800919.db2.gz QPTWNDMTMCQXRL-UHFFFAOYSA-N 0 0 408.477 4.069 20 30 HIEDRN Cc1ccc(-n2c(S[C@H](C)C(=O)N(C)CCC#N)nnc2-c2ccc(F)cc2)cc1 ZINC000481397472 896803595 /nfs/dbraw/zinc/80/35/95/896803595.db2.gz HLNGHROHYKYTBN-MRXNPFEDSA-N 0 0 423.517 4.235 20 30 HIEDRN CCCN(C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H]1CCCc2cccnc21 ZINC000481402345 896809282 /nfs/dbraw/zinc/80/92/82/896809282.db2.gz PWBHACINDLFMQG-LJQANCHMSA-N 0 0 415.501 4.164 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000481430204 896830878 /nfs/dbraw/zinc/83/08/78/896830878.db2.gz BQPUXKIZSWFKPY-UHFFFAOYSA-N 0 0 414.461 4.439 20 30 HIEDRN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000481447214 896845224 /nfs/dbraw/zinc/84/52/24/896845224.db2.gz SESLGSPYGLBQKK-QHCPKHFHSA-N 0 0 405.523 4.203 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000481458171 896852037 /nfs/dbraw/zinc/85/20/37/896852037.db2.gz YWETVSUNCPVMRM-ZDUSSCGKSA-N 0 0 415.906 4.033 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)nnc1-c1ccco1 ZINC000481462097 896854702 /nfs/dbraw/zinc/85/47/02/896854702.db2.gz HQUJJIXLOXNYPR-SJORKVTESA-N 0 0 412.490 4.018 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000481487634 896869310 /nfs/dbraw/zinc/86/93/10/896869310.db2.gz CMRYIKPJHVEICA-UHFFFAOYSA-N 0 0 417.469 4.227 20 30 HIEDRN C=C(C)[C@H](NC(=O)Nc1cc2c(cc1OC)CCC(=O)N2)c1ccc(F)c(F)c1 ZINC000481503367 896875865 /nfs/dbraw/zinc/87/58/65/896875865.db2.gz BDWZPPIMFXGUPR-FQEVSTJZSA-N 0 0 401.413 4.297 20 30 HIEDRN Cn1cc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000481605032 896984691 /nfs/dbraw/zinc/98/46/91/896984691.db2.gz DMFPBCSOYZIUTO-OAQYLSRUSA-N 0 0 410.880 4.325 20 30 HIEDRN C=C(C)[C@@H](NCC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)c(F)c1 ZINC000481607036 896988256 /nfs/dbraw/zinc/98/82/56/896988256.db2.gz JYUWMXYMLPMKQS-HXUWFJFHSA-N 0 0 410.848 4.481 20 30 HIEDRN C=C(C)[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000481614058 896996265 /nfs/dbraw/zinc/99/62/65/896996265.db2.gz QBIAIUJKZAWGDF-SJORKVTESA-N 0 0 413.237 4.300 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000481617402 896999824 /nfs/dbraw/zinc/99/98/24/896999824.db2.gz SDBNMMLDZNIIJS-GOSISDBHSA-N 0 0 408.260 4.016 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481632090 897015556 /nfs/dbraw/zinc/01/55/56/897015556.db2.gz ZEZIWZVOVWUMPQ-UHFFFAOYSA-N 0 0 414.546 4.112 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)nn1-c1cccc(C#N)c1 ZINC000481670868 897055004 /nfs/dbraw/zinc/05/50/04/897055004.db2.gz ASQSWHJUTDVOMU-AWEZNQCLSA-N 0 0 414.387 4.442 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N(C[C@@H]3CCOC3)C3CC3)cc2F)c1 ZINC000481710688 897100157 /nfs/dbraw/zinc/10/01/57/897100157.db2.gz GXUWFPGJPROIQX-SFHVURJKSA-N 0 0 409.461 4.309 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)ccc1F ZINC000481710904 897100400 /nfs/dbraw/zinc/10/04/00/897100400.db2.gz IPVMNPONERXBQT-UHFFFAOYSA-N 0 0 406.392 4.410 20 30 HIEDRN CCn1cc(NC(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)cn1 ZINC000481740204 897135423 /nfs/dbraw/zinc/13/54/23/897135423.db2.gz NHVRFGIRYHWSRO-UHFFFAOYSA-N 0 0 409.515 4.494 20 30 HIEDRN N#Cc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1OCC(F)(F)F ZINC000481803876 897180625 /nfs/dbraw/zinc/18/06/25/897180625.db2.gz BICMMUFQUDXETR-GOSISDBHSA-N 0 0 420.387 4.309 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)[C@H]1CC(C)C[C@@H]1C(=O)Nc1cc(C#N)ccc1C ZINC000481807954 897184146 /nfs/dbraw/zinc/18/41/46/897184146.db2.gz CDXLNXKSIWOQPY-PMACEKPBSA-N 0 0 400.482 4.286 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2C[C@H](C)Cc3ccccc32)nnc1-c1ccco1 ZINC000481813169 897187891 /nfs/dbraw/zinc/18/78/91/897187891.db2.gz NZFNWLGKTATYCI-MRXNPFEDSA-N 0 0 408.527 4.432 20 30 HIEDRN CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cccc(Oc3ccc(C#N)cc3)c1)CC2 ZINC000481855105 897221252 /nfs/dbraw/zinc/22/12/52/897221252.db2.gz KZRGGFSKSYBKHH-FQEVSTJZSA-N 0 0 400.482 4.415 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000481988177 897383207 /nfs/dbraw/zinc/38/32/07/897383207.db2.gz KRQPVMXQVSGTLP-IRXDYDNUSA-N 0 0 406.596 4.353 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCCNC(=O)C2CCC2)c1 ZINC000482005091 897403038 /nfs/dbraw/zinc/40/30/38/897403038.db2.gz DOHLSNLZXKONNU-UHFFFAOYSA-N 0 0 411.889 4.040 20 30 HIEDRN C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000482020001 897424772 /nfs/dbraw/zinc/42/47/72/897424772.db2.gz OQDZIBMNURFVES-UHFFFAOYSA-N 0 0 419.465 4.249 20 30 HIEDRN Cc1ccccc1COc1cccc(N[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)c1 ZINC000482039656 897456557 /nfs/dbraw/zinc/45/65/57/897456557.db2.gz JXPAGPSESGHVAD-HSZRJFAPSA-N 0 0 411.461 4.190 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000482061983 897493010 /nfs/dbraw/zinc/49/30/10/897493010.db2.gz CBBAVWZZVLVZQF-UHFFFAOYSA-N 0 0 409.877 4.078 20 30 HIEDRN C=CCn1c(SCc2c(Cl)cccc2C(=O)OC)nnc1-c1cccnc1 ZINC000505486926 914169396 /nfs/dbraw/zinc/16/93/96/914169396.db2.gz LMWDJGONYICHEZ-UHFFFAOYSA-N 0 0 400.891 4.258 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc2ccc(Br)cn2n1 ZINC000482085196 897524267 /nfs/dbraw/zinc/52/42/67/897524267.db2.gz RNRXFAAVJRGICF-QZTJIDSGSA-N 0 0 424.302 4.400 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)c2sc3cccc(F)c3c2C)cc(OC)c1OC ZINC000505486473 914170206 /nfs/dbraw/zinc/17/02/06/914170206.db2.gz JQSUMSSHUZKXJI-AWEZNQCLSA-N 0 0 414.458 4.369 20 30 HIEDRN C[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc2ccccc2o1 ZINC000482109796 897559655 /nfs/dbraw/zinc/55/96/55/897559655.db2.gz USKKSPATHOWLLL-OAHLLOKOSA-N 0 0 416.437 4.005 20 30 HIEDRN Cn1cc([C@H]2CSCCN2C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cn1 ZINC000482138720 897597285 /nfs/dbraw/zinc/59/72/85/897597285.db2.gz CCGMUOBNCRZSSS-JOCHJYFZSA-N 0 0 418.522 4.209 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)c2ccccc2SC(C)C)cc(OC)c1OC ZINC000505493277 914176814 /nfs/dbraw/zinc/17/68/14/914176814.db2.gz HJGCEGQKIDICFM-MRXNPFEDSA-N 0 0 400.500 4.208 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000482170384 897636611 /nfs/dbraw/zinc/63/66/11/897636611.db2.gz NZVAHSYOVUBKLB-UHFFFAOYSA-N 0 0 403.526 4.017 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc(OC)c1OC ZINC000505495710 914178763 /nfs/dbraw/zinc/17/87/63/914178763.db2.gz UDHPGKDMZYNTMY-XLIONFOSSA-N 0 0 416.905 4.486 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC(C)(C)c2nc(C)cs2)nnc1-c1ccco1 ZINC000482193726 897667061 /nfs/dbraw/zinc/66/70/61/897667061.db2.gz PVQWWUJWAJRQOL-UHFFFAOYSA-N 0 0 417.560 4.023 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000505496238 914181440 /nfs/dbraw/zinc/18/14/40/914181440.db2.gz RCFGBLYVQRILJN-MRXNPFEDSA-N 0 0 412.889 4.462 20 30 HIEDRN Cn1cc(-c2ncc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)s2)cn1 ZINC000482216511 897696041 /nfs/dbraw/zinc/69/60/41/897696041.db2.gz VYDDNVQDEYNOKO-UHFFFAOYSA-N 0 0 401.451 4.460 20 30 HIEDRN COc1cc([C@H](C#N)NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000505499101 914183574 /nfs/dbraw/zinc/18/35/74/914183574.db2.gz AMBAZQINLUWLDM-UGKGYDQZSA-N 0 0 424.497 4.094 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)C2(c3cccc(C)c3)CCCC2)cc(OC)c1OC ZINC000505499675 914187138 /nfs/dbraw/zinc/18/71/38/914187138.db2.gz DQCPAWAIMUBDMW-LJQANCHMSA-N 0 0 408.498 4.214 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)N1CCC(C)(C#N)CC1)C(F)(F)F ZINC000482277831 897766930 /nfs/dbraw/zinc/76/69/30/897766930.db2.gz VVFFQUJMIISRTQ-SFHVURJKSA-N 0 0 419.451 4.428 20 30 HIEDRN COc1cc([C@@H](C#N)NC(=O)c2cc(C(C)C)nc3ccccc32)cc(OC)c1OC ZINC000505501470 914188802 /nfs/dbraw/zinc/18/88/02/914188802.db2.gz PKBRPZCPKJPXSO-HXUWFJFHSA-N 0 0 419.481 4.379 20 30 HIEDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000505508374 914196834 /nfs/dbraw/zinc/19/68/34/914196834.db2.gz XSOQSGGAISGOSS-CYBMUJFWSA-N 0 0 406.298 4.154 20 30 HIEDRN N#C[C@H](NC(=O)CCCOc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000505506572 914197414 /nfs/dbraw/zinc/19/74/14/914197414.db2.gz NAYKNZKQMHYCIR-HNNXBMFYSA-N 0 0 407.253 4.262 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)cc2)CC1 ZINC000482349393 897861846 /nfs/dbraw/zinc/86/18/46/897861846.db2.gz JSWPMOYHKDFTFL-QFQXNSOFSA-N 0 0 424.504 4.486 20 30 HIEDRN C=CCN(CCOC)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000482390292 897922241 /nfs/dbraw/zinc/92/22/41/897922241.db2.gz RJGJGXHYLJAGDN-UHFFFAOYSA-N 0 0 421.341 4.185 20 30 HIEDRN C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(C#N)cc1 ZINC000482434232 897992407 /nfs/dbraw/zinc/99/24/07/897992407.db2.gz NMOQCTNLLUDXDR-ZDUSSCGKSA-N 0 0 409.540 4.183 20 30 HIEDRN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(C#N)cc1 ZINC000482434221 897992549 /nfs/dbraw/zinc/99/25/49/897992549.db2.gz NMOQCTNLLUDXDR-CYBMUJFWSA-N 0 0 409.540 4.183 20 30 HIEDRN 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C=CCN(CCc1ccco1)C(=O)NCc1cccnc1Oc1cccc(OC)c1 ZINC000497505372 906992954 /nfs/dbraw/zinc/99/29/54/906992954.db2.gz AOWFTHCJCOOTGX-UHFFFAOYSA-N 0 0 407.470 4.416 20 30 HIEDRN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000497509216 906998121 /nfs/dbraw/zinc/99/81/21/906998121.db2.gz WEGXCUDZRPBZEG-UHFFFAOYSA-N 0 0 416.477 4.428 20 30 HIEDRN C=C(CNC(=O)N(CCOC)Cc1sccc1Br)c1ccccc1 ZINC000512678483 921284551 /nfs/dbraw/zinc/28/45/51/921284551.db2.gz RCUDQFPBKCQAET-UHFFFAOYSA-N 0 0 409.349 4.382 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000512678415 921284884 /nfs/dbraw/zinc/28/48/84/921284884.db2.gz QSPQPEMYMSPLFU-PZJWPPBQSA-N 0 0 406.530 4.021 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nccn2Cc2ccccn2)c1 ZINC000497523642 907012940 /nfs/dbraw/zinc/01/29/40/907012940.db2.gz OPMHWKSBZZCRSF-IBGZPJMESA-N 0 0 419.554 4.371 20 30 HIEDRN CCc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c2c(n1)onc2C(C)C ZINC000512691388 921289190 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N#Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cnc1C(F)(F)F ZINC000497705573 907210535 /nfs/dbraw/zinc/21/05/35/907210535.db2.gz HLTFVJHIYVFBPY-LSDHHAIUSA-N 0 0 413.758 4.025 20 30 HIEDRN N#Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cnc1C(F)(F)F ZINC000497705570 907210929 /nfs/dbraw/zinc/21/09/29/907210929.db2.gz HLTFVJHIYVFBPY-CABCVRRESA-N 0 0 413.758 4.025 20 30 HIEDRN N#Cc1ccc(OC2CCN(Cc3ccc(C#N)cc3Br)CC2)c(F)c1 ZINC000512801982 921314225 /nfs/dbraw/zinc/31/42/25/921314225.db2.gz PSHXRSGMVRMGGJ-UHFFFAOYSA-N 0 0 414.278 4.375 20 30 HIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(Cl)c1 ZINC000497867932 907345647 /nfs/dbraw/zinc/34/56/47/907345647.db2.gz MGUWXQTZIALSSS-MRXNPFEDSA-N 0 0 420.694 4.180 20 30 HIEDRN CCOc1c(Cl)cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1OC ZINC000497889125 907363601 /nfs/dbraw/zinc/36/36/01/907363601.db2.gz HCZKTLJTEPEXHW-UHFFFAOYSA-N 0 0 416.861 4.079 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1OCC(F)(F)F ZINC000497929155 907394010 /nfs/dbraw/zinc/39/40/10/907394010.db2.gz BGBRDSNITRQOLV-UHFFFAOYSA-N 0 0 416.315 4.208 20 30 HIEDRN N#Cc1ccc(-n2nccc2NC(=O)c2cnc(Cc3ccc(F)cc3)s2)cc1 ZINC000497956175 907426024 /nfs/dbraw/zinc/42/60/24/907426024.db2.gz ROEGTTSGCIZGOV-UHFFFAOYSA-N 0 0 403.442 4.183 20 30 HIEDRN N#C[C@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000497955583 907426295 /nfs/dbraw/zinc/42/62/95/907426295.db2.gz LHXVCBTWTUETKW-KRWDZBQOSA-N 0 0 422.428 4.307 20 30 HIEDRN Cc1c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cnn1-c1cccc(Cl)c1 ZINC000497968510 907438040 /nfs/dbraw/zinc/43/80/40/907438040.db2.gz PIBDNSLYLHRORA-UHFFFAOYSA-N 0 0 402.845 4.144 20 30 HIEDRN COc1cccc([C@@H](NC(=O)N2CCC(F)(C#N)CC2)c2ccccc2Cl)c1 ZINC000498031952 907535042 /nfs/dbraw/zinc/53/50/42/907535042.db2.gz ZRLVSGUQUYCDLA-LJQANCHMSA-N 0 0 401.869 4.475 20 30 HIEDRN COC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(Cl)c1 ZINC000498057588 907567705 /nfs/dbraw/zinc/56/77/05/907567705.db2.gz KIJGJNURSBSFDT-UHFFFAOYSA-N 0 0 418.902 4.346 20 30 HIEDRN COC(=O)c1ccc(OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(Cl)c1 ZINC000498059690 907570511 /nfs/dbraw/zinc/57/05/11/907570511.db2.gz IQKFCIGYRRAREI-UHFFFAOYSA-N 0 0 407.253 4.106 20 30 HIEDRN C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1OCc1ccccc1 ZINC000498107298 907615660 /nfs/dbraw/zinc/61/56/60/907615660.db2.gz QALGRCZIYLKGCM-GOSISDBHSA-N 0 0 406.507 4.318 20 30 HIEDRN N#Cc1ccc(OC2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000512846135 921348664 /nfs/dbraw/zinc/34/86/64/921348664.db2.gz YBZLVFMINNEVCL-UHFFFAOYSA-N 0 0 421.394 4.198 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000498212871 907744191 /nfs/dbraw/zinc/74/41/91/907744191.db2.gz BBCSFESAXZNKGM-UHFFFAOYSA-N 0 0 422.485 4.198 20 30 HIEDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000498219886 907748836 /nfs/dbraw/zinc/74/88/36/907748836.db2.gz VOHOGBNLKBILJP-ZDUSSCGKSA-N 0 0 405.527 4.413 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000498229859 907760935 /nfs/dbraw/zinc/76/09/35/907760935.db2.gz VUCGAPPWCMZJSI-OAHLLOKOSA-N 0 0 405.325 4.369 20 30 HIEDRN COc1ccccc1NCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000498233891 907766361 /nfs/dbraw/zinc/76/63/61/907766361.db2.gz AQFPFGHVVMERPC-QFIPXVFZSA-N 0 0 401.466 4.067 20 30 HIEDRN CC(C)(C)C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C(F)(F)F ZINC000498281725 907816320 /nfs/dbraw/zinc/81/63/20/907816320.db2.gz OALHGWHUMKSLPV-UYSNPLJNSA-N 0 0 412.456 4.310 20 30 HIEDRN CC(C)Cn1ncc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cnc21 ZINC000498308573 907831857 /nfs/dbraw/zinc/83/18/57/907831857.db2.gz CRBAEULENLIDRD-UHFFFAOYSA-N 0 0 416.510 4.259 20 30 HIEDRN N#Cc1ccc(CN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)C2CC2)cc1 ZINC000498347527 907851306 /nfs/dbraw/zinc/85/13/06/907851306.db2.gz ZRGMUYJEIMTPIH-QGZVFWFLSA-N 0 0 412.896 4.304 20 30 HIEDRN C=CCOc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1OC ZINC000498376435 907866030 /nfs/dbraw/zinc/86/60/30/907866030.db2.gz TWCJZEQPZWCJEP-DHIUTWEWSA-N 0 0 416.949 4.075 20 30 HIEDRN COc1cccc(CCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 ZINC000498388225 907874521 /nfs/dbraw/zinc/87/45/21/907874521.db2.gz BFARFLTYVDDNEV-UHFFFAOYSA-N 0 0 402.498 4.062 20 30 HIEDRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000498393137 907877920 /nfs/dbraw/zinc/87/79/20/907877920.db2.gz XYONLZAOZXKFDN-UHFFFAOYSA-N 0 0 408.461 4.350 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000498420787 907893881 /nfs/dbraw/zinc/89/38/81/907893881.db2.gz HBKAVKPYAYRYLR-GOSISDBHSA-N 0 0 400.523 4.028 20 30 HIEDRN N#Cc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000498462719 907930633 /nfs/dbraw/zinc/93/06/33/907930633.db2.gz SFRBSQFWYSOWBN-QFIPXVFZSA-N 0 0 401.535 4.078 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000498465490 907932434 /nfs/dbraw/zinc/93/24/34/907932434.db2.gz LTKSMPAEPDDDKL-UHFFFAOYSA-N 0 0 421.806 4.384 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000498482594 907952836 /nfs/dbraw/zinc/95/28/36/907952836.db2.gz HRGYHYGIBBRUNT-UONOGXRCSA-N 0 0 401.919 4.491 20 30 HIEDRN C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000498489064 907963351 /nfs/dbraw/zinc/96/33/51/907963351.db2.gz MLIDCPJQIINOJD-XOBRGWDASA-N 0 0 419.294 4.387 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000498507641 907980039 /nfs/dbraw/zinc/98/00/39/907980039.db2.gz GUMXURKYGMWSMQ-QGZVFWFLSA-N 0 0 418.444 4.322 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000498677420 908106434 /nfs/dbraw/zinc/10/64/34/908106434.db2.gz VHMUDAGCIGRGOV-FCHUYYIVSA-N 0 0 424.495 4.349 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000498694120 908121371 /nfs/dbraw/zinc/12/13/71/908121371.db2.gz MWOONIQPDRVWAK-XMMPIXPASA-N 0 0 410.473 4.456 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000498794294 908204759 /nfs/dbraw/zinc/20/47/59/908204759.db2.gz WRJXZOJMQHWTPV-UHFFFAOYSA-N 0 0 400.425 4.200 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000498792772 908205180 /nfs/dbraw/zinc/20/51/80/908205180.db2.gz MDFDYNQVNAARHX-UHFFFAOYSA-N 0 0 419.294 4.062 20 30 HIEDRN COc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1Oc1ccc(C)nn1 ZINC000498793666 908205296 /nfs/dbraw/zinc/20/52/96/908205296.db2.gz RRVQDNILMDHRJU-UHFFFAOYSA-N 0 0 400.438 4.128 20 30 HIEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(CCCC)[C@H](C)c2ccccc2)c1 ZINC000498817015 908223833 /nfs/dbraw/zinc/22/38/33/908223833.db2.gz XWYGPDDDOXKHNY-GOSISDBHSA-N 0 0 400.544 4.154 20 30 HIEDRN N#Cc1ccc(C2(C(=O)Nc3ccn(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC000498871748 908271327 /nfs/dbraw/zinc/27/13/27/908271327.db2.gz FFXHSSIRMBPXRH-UHFFFAOYSA-N 0 0 407.271 4.177 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)c2)cc1 ZINC000498885337 908288003 /nfs/dbraw/zinc/28/80/03/908288003.db2.gz BWPAHCQZTHXQON-LJQANCHMSA-N 0 0 412.497 4.317 20 30 HIEDRN COc1cccc(C(=O)CCCC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000498964435 908359322 /nfs/dbraw/zinc/35/93/22/908359322.db2.gz OCBWBHHJPSXFDS-UHFFFAOYSA-N 0 0 422.872 4.398 20 30 HIEDRN C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1OCCc2sccc21 ZINC000498987367 908372822 /nfs/dbraw/zinc/37/28/22/908372822.db2.gz XDJFGQUZSOFGIF-HXPMCKFVSA-N 0 0 412.902 4.347 20 30 HIEDRN COc1cccc(N(CCC#N)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000499099555 908460326 /nfs/dbraw/zinc/46/03/26/908460326.db2.gz ACEPWGYIDINZSX-UHFFFAOYSA-N 0 0 418.824 4.476 20 30 HIEDRN C=CCN(C(=O)c1csc(S(C)(=O)=O)c1)c1nc(-c2ccccc2)cs1 ZINC000499128000 908485592 /nfs/dbraw/zinc/48/55/92/908485592.db2.gz OJQBJSGBUHVZMT-UHFFFAOYSA-N 0 0 404.538 4.108 20 30 HIEDRN C=CCc1ccc(OCC(=O)N(C)Cc2cc(Br)ccc2F)c(OC)c1 ZINC000499151516 908511532 /nfs/dbraw/zinc/51/15/32/908511532.db2.gz OGXGRIPNMWMBIE-UHFFFAOYSA-N 0 0 422.294 4.363 20 30 HIEDRN C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(Br)cc1 ZINC000499211467 908567658 /nfs/dbraw/zinc/56/76/58/908567658.db2.gz YKSXKSGWESCVGO-MRXNPFEDSA-N 0 0 412.331 4.163 20 30 HIEDRN COc1cc(C#N)ccc1CSc1nnc(Nc2cccc(NC(C)=O)c2)s1 ZINC000499303403 908676118 /nfs/dbraw/zinc/67/61/18/908676118.db2.gz ZEIPIKDEMQQTSC-UHFFFAOYSA-N 0 0 411.512 4.413 20 30 HIEDRN N#Cc1ccc(CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C2CC2)cc1 ZINC000499303522 908676370 /nfs/dbraw/zinc/67/63/70/908676370.db2.gz ZQKPCSFYGHEQMQ-UHFFFAOYSA-N 0 0 423.929 4.076 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000499304877 908678814 /nfs/dbraw/zinc/67/88/14/908678814.db2.gz CRZLKDZKUNRHPS-HSZRJFAPSA-N 0 0 418.472 4.040 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000499306603 908680550 /nfs/dbraw/zinc/68/05/50/908680550.db2.gz BQIRZPUKHWMMTK-NRFANRHFSA-N 0 0 410.945 4.450 20 30 HIEDRN COc1cc(C#N)ccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000499306653 908681238 /nfs/dbraw/zinc/68/12/38/908681238.db2.gz CEGFNOXQVNXRGZ-IBGZPJMESA-N 0 0 424.501 4.436 20 30 HIEDRN COc1cc(C#N)ccc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000499308084 908683245 /nfs/dbraw/zinc/68/32/45/908683245.db2.gz OYFHTQPQFLBMIQ-UHFFFAOYSA-N 0 0 423.538 4.384 20 30 HIEDRN Cc1sc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)c(C#N)c1C ZINC000499338273 908713540 /nfs/dbraw/zinc/71/35/40/908713540.db2.gz INXHIJOENDYNGC-UHFFFAOYSA-N 0 0 409.368 4.228 20 30 HIEDRN C[C@H]1COC[C@H](c2ccccc2)N1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000499366087 908733354 /nfs/dbraw/zinc/73/33/54/908733354.db2.gz VHXDWWVUJCETOA-HTAPYJJXSA-N 0 0 402.450 4.332 20 30 HIEDRN N#C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(Br)cc1 ZINC000499389196 908750771 /nfs/dbraw/zinc/75/07/71/908750771.db2.gz FQNSBKIFFATWCQ-QGZVFWFLSA-N 0 0 415.678 4.283 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)cc1 ZINC000499393309 908752944 /nfs/dbraw/zinc/75/29/44/908752944.db2.gz QGMADMIJTBVSRX-UHFFFAOYSA-N 0 0 417.366 4.479 20 30 HIEDRN COc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1OC(F)F ZINC000499410826 908776407 /nfs/dbraw/zinc/77/64/07/908776407.db2.gz FFAGSSVQZMWQGH-CYBMUJFWSA-N 0 0 411.202 4.054 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000499410589 908776805 /nfs/dbraw/zinc/77/68/05/908776805.db2.gz CGHDYLLDQXTUTB-GOSISDBHSA-N 0 0 412.287 4.083 20 30 HIEDRN COc1ccc(S[C@H](C)C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499410933 908777016 /nfs/dbraw/zinc/77/70/16/908777016.db2.gz CBZQBXXMLAKDGR-SJKOYZFVSA-N 0 0 405.317 4.319 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1 ZINC000499417660 908783466 /nfs/dbraw/zinc/78/34/66/908783466.db2.gz IAUBBIWNZKWWNH-CQSZACIVSA-N 0 0 414.437 4.334 20 30 HIEDRN COc1ccc(Br)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499434671 908794671 /nfs/dbraw/zinc/79/46/71/908794671.db2.gz LYJFIXFENTZYSN-OAHLLOKOSA-N 0 0 424.092 4.215 20 30 HIEDRN N#C[C@H](NC(=O)Cc1ccccc1Br)c1ccc(Br)cc1 ZINC000499435024 908795198 /nfs/dbraw/zinc/79/51/98/908795198.db2.gz WELYWSBIOIWOMV-HNNXBMFYSA-N 0 0 408.093 4.135 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000499437871 908797082 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415.474 4.428 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCC(=O)c1ccc(OC)cc1Cl ZINC000518233112 927094208 /nfs/dbraw/zinc/09/42/08/927094208.db2.gz KYCRCDJJDKQYEF-UHFFFAOYSA-N 0 0 405.878 4.002 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000518243532 927104496 /nfs/dbraw/zinc/10/44/96/927104496.db2.gz WZYQGIUHWBOHJG-OAHLLOKOSA-N 0 0 410.495 4.454 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cc2c(s1)CCCC2 ZINC000518248987 927107681 /nfs/dbraw/zinc/10/76/81/927107681.db2.gz SDFHKNHBIYFGDY-CQSZACIVSA-N 0 0 413.568 4.276 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccccn3)cc2)c1 ZINC000518248892 927108589 /nfs/dbraw/zinc/10/85/89/927108589.db2.gz YRWCNJQRJSESQX-QFIPXVFZSA-N 0 0 412.449 4.048 20 30 HIEDRN COc1cc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(OC)c1OC ZINC000518255337 927112346 /nfs/dbraw/zinc/11/23/46/927112346.db2.gz KVZFWZBNFYOHQD-AWEZNQCLSA-N 0 0 415.515 4.428 20 30 HIEDRN C=CCn1c(=O)c2c3c(sc2nc1S[C@@H]1CCN(c2ccccc2)C1=O)CCC3 ZINC000518305061 927165512 /nfs/dbraw/zinc/16/55/12/927165512.db2.gz UTBWOQXEQAKMKD-QGZVFWFLSA-N 0 0 423.563 4.030 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCn3ccc4ccccc43)C2)c(F)c1 ZINC000518316540 927180861 /nfs/dbraw/zinc/18/08/61/927180861.db2.gz MNURRXIMGVXZOG-HXUWFJFHSA-N 0 0 419.504 4.010 20 30 HIEDRN C[C@@H](OCCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000518316639 927180946 /nfs/dbraw/zinc/18/09/46/927180946.db2.gz YWAMJUNNQFAHMK-WIYYLYMNSA-N 0 0 424.520 4.133 20 30 HIEDRN Cc1nc(COc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)no1 ZINC000518320293 927184600 /nfs/dbraw/zinc/18/46/00/927184600.db2.gz FRUGMOUXJCDIEL-KRWDZBQOSA-N 0 0 417.252 4.259 20 30 HIEDRN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000518321288 927186726 /nfs/dbraw/zinc/18/67/26/927186726.db2.gz NEMHAQNLVXYLNH-RBUKOAKNSA-N 0 0 415.415 4.056 20 30 HIEDRN COc1cccc(C[C@@H]2CCCN2C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000518325159 927188956 /nfs/dbraw/zinc/18/89/56/927188956.db2.gz IJVQZSGNPSFTEZ-IBGZPJMESA-N 0 0 409.555 4.213 20 30 HIEDRN COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc12 ZINC000518336080 927201352 /nfs/dbraw/zinc/20/13/52/927201352.db2.gz AZRGXCDEPPYOQB-QGZVFWFLSA-N 0 0 403.457 4.258 20 30 HIEDRN Cc1nc(COc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2)no1 ZINC000518362743 927222593 /nfs/dbraw/zinc/22/25/93/927222593.db2.gz WIHHEOACCWEWFT-UHFFFAOYSA-N 0 0 406.442 4.017 20 30 HIEDRN CCN(CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C)c1 ZINC000518390088 927236300 /nfs/dbraw/zinc/23/63/00/927236300.db2.gz DZRRGTQLXDMGMA-UHFFFAOYSA-N 0 0 400.482 4.310 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000518394997 927238056 /nfs/dbraw/zinc/23/80/56/927238056.db2.gz ARLAASVZEKFADE-ZDUSSCGKSA-N 0 0 408.267 4.237 20 30 HIEDRN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(C)nn(C)c4nc3C)n2)cc1 ZINC000518516499 927320944 /nfs/dbraw/zinc/32/09/44/927320944.db2.gz HGCOCPRTDZKCSF-SFHVURJKSA-N 0 0 417.494 4.207 20 30 HIEDRN N#Cc1cccc(CNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 ZINC000518521374 927323847 /nfs/dbraw/zinc/32/38/47/927323847.db2.gz WEDNIZQEPXUSQI-SFHVURJKSA-N 0 0 408.260 4.287 20 30 HIEDRN Cc1nc(CCC(=O)N2CCC(C#N)CC2)oc1-c1ccc(Br)cc1 ZINC000518525507 927326724 /nfs/dbraw/zinc/32/67/24/927326724.db2.gz HWSFWHFBPMCXJC-UHFFFAOYSA-N 0 0 402.292 4.107 20 30 HIEDRN Cc1nc(CCC(=O)N(C)C2(C#N)CCC2)oc1-c1ccc(Br)cc1 ZINC000518527317 927328761 /nfs/dbraw/zinc/32/87/61/927328761.db2.gz WOYDWMIDUAWCOA-UHFFFAOYSA-N 0 0 402.292 4.250 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1Cl ZINC000518555422 927343743 /nfs/dbraw/zinc/34/37/43/927343743.db2.gz LNRQIYFBTGSAMA-MRXNPFEDSA-N 0 0 402.281 4.037 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(OC)ccn1 ZINC000518556986 927345615 /nfs/dbraw/zinc/34/56/15/927345615.db2.gz STOWPKNDKGCTNS-UHFFFAOYSA-N 0 0 402.907 4.392 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC000518570524 927352537 /nfs/dbraw/zinc/35/25/37/927352537.db2.gz ZNGYSKGKDPCBLL-UHFFFAOYSA-N 0 0 421.520 4.335 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CC[C@H](Cc4ccccc4)C3)n2C[C@H]2CCCO2)c1 ZINC000518571844 927354148 /nfs/dbraw/zinc/35/41/48/927354148.db2.gz LWPUTYLBZXMSPV-FYYLOGMGSA-N 0 0 413.525 4.065 20 30 HIEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC000518621571 927384021 /nfs/dbraw/zinc/38/40/21/927384021.db2.gz ZGMSTMSDPFWIEA-UGKGYDQZSA-N 0 0 402.498 4.188 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000518631651 927391982 /nfs/dbraw/zinc/39/19/82/927391982.db2.gz IEOMIXYEGBJVEF-AWEZNQCLSA-N 0 0 418.419 4.259 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000518631966 927392086 /nfs/dbraw/zinc/39/20/86/927392086.db2.gz UBKMTEXLUYEXMW-HXUWFJFHSA-N 0 0 409.461 4.475 20 30 HIEDRN CC(=O)N[C@@H](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(F)cccc1F ZINC000518660474 927413094 /nfs/dbraw/zinc/41/30/94/927413094.db2.gz YSTSPPRRPOYBKG-UGSOOPFHSA-N 0 0 417.481 4.423 20 30 HIEDRN COc1ccc(-c2nn(Cc3ccccc3)cc2CNCC2(C#N)CC2)cc1OC ZINC000518662144 927414477 /nfs/dbraw/zinc/41/44/77/927414477.db2.gz DQUCAUQBKLAFSH-UHFFFAOYSA-N 0 0 402.498 4.009 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000518675812 927421954 /nfs/dbraw/zinc/42/19/54/927421954.db2.gz QTEZBDCCMVQWIQ-QGZVFWFLSA-N 0 0 411.527 4.362 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000518674621 927422304 /nfs/dbraw/zinc/42/23/04/927422304.db2.gz CFEDHDMLHRGAMG-OAHLLOKOSA-N 0 0 415.515 4.123 20 30 HIEDRN CC(=O)Nc1cccc(OCCNC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000518682074 927428599 /nfs/dbraw/zinc/42/85/99/927428599.db2.gz QFGAZCRCQZEWAQ-OAHLLOKOSA-N 0 0 412.515 4.097 20 30 HIEDRN C=C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000518692249 927436940 /nfs/dbraw/zinc/43/69/40/927436940.db2.gz BHOYSOUKODTXQW-JHLQHZFVSA-N 0 0 406.570 4.109 20 30 HIEDRN Cc1cc(=O)c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)nn1-c1ccccc1F ZINC000518738936 927465778 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HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccc(Cl)cc3Cl)C2)c(F)c1 ZINC000518818073 927514557 /nfs/dbraw/zinc/51/45/57/927514557.db2.gz VJIUOUCXOGPXTG-INIZCTEOSA-N 0 0 406.288 4.332 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518861719 927568623 /nfs/dbraw/zinc/56/86/23/927568623.db2.gz WMMQAWTUXVVHOV-VQIMIIECSA-N 0 0 412.534 4.447 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000518895374 927605473 /nfs/dbraw/zinc/60/54/73/927605473.db2.gz WFKAXOWKRUGHQO-UHFFFAOYSA-N 0 0 417.421 4.262 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccccc2CN2CCSCC2)c1 ZINC000518908980 927618764 /nfs/dbraw/zinc/61/87/64/927618764.db2.gz FMTQOTPYLDTPBF-UHFFFAOYSA-N 0 0 409.555 4.295 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2)nc1 ZINC000518917190 927623643 /nfs/dbraw/zinc/62/36/43/927623643.db2.gz GELYYECVGPZXNW-UHFFFAOYSA-N 0 0 411.461 4.481 20 30 HIEDRN COc1ccc(Cl)cc1NCC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000518955135 927654743 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C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542930134 939880532 /nfs/dbraw/zinc/88/05/32/939880532.db2.gz LQDSDFMTNDZESS-SFHVURJKSA-N 0 0 407.473 4.418 20 30 HIEDRN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542930818 939880602 /nfs/dbraw/zinc/88/06/02/939880602.db2.gz XPZUEFLBODLKPW-INIZCTEOSA-N 0 0 401.422 4.390 20 30 HIEDRN COC(=O)c1cccc([C@@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C(=O)OC)c1 ZINC000542934965 939881542 /nfs/dbraw/zinc/88/15/42/939881542.db2.gz YVWIEGFSMYGPNG-MRXNPFEDSA-N 0 0 409.385 4.370 20 30 HIEDRN CCN(C(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](C)c1ccc(F)cc1 ZINC000542939112 939882353 /nfs/dbraw/zinc/88/23/53/939882353.db2.gz LSGYUJGDJOESFA-OAHLLOKOSA-N 0 0 409.440 4.044 20 30 HIEDRN COc1ccc(CN(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1C ZINC000542955224 939885161 /nfs/dbraw/zinc/88/51/61/939885161.db2.gz DZKUJFPXVYHOPJ-UHFFFAOYSA-N 0 0 409.877 4.378 20 30 HIEDRN Cc1cccc2c(CCNC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)c[nH]c21 ZINC000542959917 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940197884 /nfs/dbraw/zinc/19/78/84/940197884.db2.gz PAPJZBUBQLOVND-JKSUJKDBSA-N 0 0 401.369 4.108 20 30 HIEDRN N#CCC1CCN(C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000543827786 940200136 /nfs/dbraw/zinc/20/01/36/940200136.db2.gz IQNDOAPHOMLBQS-UHFFFAOYSA-N 0 0 401.102 4.369 20 30 HIEDRN N#CCC1CCN(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)CC1 ZINC000543830159 940201717 /nfs/dbraw/zinc/20/17/17/940201717.db2.gz UXESHFOMQJFABO-UHFFFAOYSA-N 0 0 400.486 4.151 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(CC#N)CC1 ZINC000543835490 940203884 /nfs/dbraw/zinc/20/38/84/940203884.db2.gz CLEKZNNHWHBPFM-UHFFFAOYSA-N 0 0 401.308 4.018 20 30 HIEDRN C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000543850302 940208295 /nfs/dbraw/zinc/20/82/95/940208295.db2.gz NAEYFPKHRVOALK-CYBMUJFWSA-N 0 0 405.376 4.314 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ncoc3-c3ccccc3Cl)n2)c(F)c1 ZINC000543855861 940211104 /nfs/dbraw/zinc/21/11/04/940211104.db2.gz VCGWQMHEZLUFAC-UHFFFAOYSA-N 0 0 407.792 4.444 20 30 HIEDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543859602 940212982 /nfs/dbraw/zinc/21/29/82/940212982.db2.gz NASKOBLHBKADOQ-MBSDFSHPSA-N 0 0 403.526 4.440 20 30 HIEDRN Cc1cc(C)n2nc(NC(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)nc2n1 ZINC000543861722 940214174 /nfs/dbraw/zinc/21/41/74/940214174.db2.gz WZDXJGLYJOHORK-MRXNPFEDSA-N 0 0 411.469 4.163 20 30 HIEDRN CCOC(=O)c1oc2ccccc2c1CNc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543864592 940215665 /nfs/dbraw/zinc/21/56/65/940215665.db2.gz XAUYKBSZPLAZPF-UHFFFAOYSA-N 0 0 404.401 4.418 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543871889 940218667 /nfs/dbraw/zinc/21/86/67/940218667.db2.gz FAAQBHYDWYGFLQ-SFHVURJKSA-N 0 0 423.822 4.242 20 30 HIEDRN CSc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1[N+](=O)[O-] ZINC000543871981 940219159 /nfs/dbraw/zinc/21/91/59/940219159.db2.gz JLMZQUIZUFZAON-UHFFFAOYSA-N 0 0 413.846 4.280 20 30 HIEDRN CCN(CC)C(=O)CCC1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000543883380 940225040 /nfs/dbraw/zinc/22/50/40/940225040.db2.gz JGKYUVKZQYEKOC-UHFFFAOYSA-N 0 0 422.476 4.052 20 30 HIEDRN CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCc2ccccc2C1 ZINC000543886482 940226143 /nfs/dbraw/zinc/22/61/43/940226143.db2.gz QZRXMXIPSGEHMF-GOSISDBHSA-N 0 0 405.889 4.419 20 30 HIEDRN COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000543888376 940227419 /nfs/dbraw/zinc/22/74/19/940227419.db2.gz LDFVZVYGAGVWSR-OAHLLOKOSA-N 0 0 421.888 4.427 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000543892753 940229802 /nfs/dbraw/zinc/22/98/02/940229802.db2.gz YSALGCYWVLWWEI-TZIWHRDSSA-N 0 0 421.888 4.439 20 30 HIEDRN CC(C)(C)n1nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1C1CC1 ZINC000543903010 940234300 /nfs/dbraw/zinc/23/43/00/940234300.db2.gz LWRZTZWCNFDMTJ-UHFFFAOYSA-N 0 0 408.893 4.479 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543916324 940243889 /nfs/dbraw/zinc/24/38/89/940243889.db2.gz NCSAOHOGGFALNQ-QFBILLFUSA-N 0 0 420.435 4.041 20 30 HIEDRN C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543917355 940244689 /nfs/dbraw/zinc/24/46/89/940244689.db2.gz DXHTXDIRWKGFRW-GOSISDBHSA-N 0 0 411.509 4.109 20 30 HIEDRN COCCn1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(C)n1 ZINC000543934943 940252602 /nfs/dbraw/zinc/25/26/02/940252602.db2.gz VCHUHXLYHKCVPC-LJQANCHMSA-N 0 0 408.889 4.399 20 30 HIEDRN C[C@@H](NC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944001 940258548 /nfs/dbraw/zinc/25/85/48/940258548.db2.gz WITRQQILMLUYSB-MRXNPFEDSA-N 0 0 416.456 4.363 20 30 HIEDRN COCCNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543947312 940260606 /nfs/dbraw/zinc/26/06/06/940260606.db2.gz VGXDDJJIBJAQBE-SNVBAGLBSA-N 0 0 412.252 4.273 20 30 HIEDRN Cc1ccc(C2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)cn1 ZINC000544016335 940300475 /nfs/dbraw/zinc/30/04/75/940300475.db2.gz BDMADHZOBCIKQY-UHFFFAOYSA-N 0 0 401.466 4.454 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cc(Br)ccc3Cl)n2)c1 ZINC000544018197 940301185 /nfs/dbraw/zinc/30/11/85/940301185.db2.gz HICGZZPRWBHEOE-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN CC[C@@H](c1nnc(SC[C@H](O)COc2ccc(CC#N)cc2)o1)c1ccccc1 ZINC000544022874 940302490 /nfs/dbraw/zinc/30/24/90/940302490.db2.gz UMBNOLNIAHVXKG-UYAOXDASSA-N 0 0 409.511 4.210 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(SC3CC3)cc2)CC1 ZINC000544028339 940303993 /nfs/dbraw/zinc/30/39/93/940303993.db2.gz IDLDVMPOLQZQMI-UHFFFAOYSA-N 0 0 420.494 4.023 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000544029294 940304745 /nfs/dbraw/zinc/30/47/45/940304745.db2.gz YUGLDJQUWKEIAJ-CYBMUJFWSA-N 0 0 400.360 4.169 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC(C)(C)CCC#N ZINC000563838503 945310512 /nfs/dbraw/zinc/31/05/12/945310512.db2.gz XEIAPKIQVZSDKV-UHFFFAOYSA-N 0 0 403.324 4.311 20 30 HIEDRN N#CCc1ccc(C[S@](=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000544046152 940309332 /nfs/dbraw/zinc/30/93/32/940309332.db2.gz RCZRWRRVWBCIAC-MHZLTWQESA-N 0 0 400.500 4.376 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)NCc2cccc(-c3ncc[nH]3)c2)c1 ZINC000544054890 940312048 /nfs/dbraw/zinc/31/20/48/940312048.db2.gz UUERKPCTCIEDBQ-UHFFFAOYSA-N 0 0 408.461 4.457 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)c1nc(COC)no1 ZINC000544076797 940319152 /nfs/dbraw/zinc/31/91/52/940319152.db2.gz RPLUKNVJVDWIGR-GFCCVEGCSA-N 0 0 421.910 4.079 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000544081762 940320572 /nfs/dbraw/zinc/32/05/72/940320572.db2.gz NUNGMRKAJCHWIB-UHFFFAOYSA-N 0 0 418.375 4.264 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000544081564 940320635 /nfs/dbraw/zinc/32/06/35/940320635.db2.gz IPHYKJPEKWYQPW-ZDUSSCGKSA-N 0 0 422.312 4.180 20 30 HIEDRN CS(=O)(=O)c1cccc([C@@H](NCc2ccc(CC#N)cc2)c2ccc(F)cc2)c1 ZINC000544084182 940321871 /nfs/dbraw/zinc/32/18/71/940321871.db2.gz OSWWSUNQJZEMBH-QHCPKHFHSA-N 0 0 408.498 4.174 20 30 HIEDRN C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC000563841594 945311619 /nfs/dbraw/zinc/31/16/19/945311619.db2.gz NRWAPFDVZUTYPD-QFIPXVFZSA-N 0 0 404.514 4.436 20 30 HIEDRN N#Cc1cccc(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2C(F)(F)F)c1F ZINC000544099027 940326173 /nfs/dbraw/zinc/32/61/73/940326173.db2.gz QAHUADBWQXUPCG-QGZVFWFLSA-N 0 0 407.367 4.446 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(Cl)cc(Br)c1 ZINC000544151108 940338264 /nfs/dbraw/zinc/33/82/64/940338264.db2.gz DMLYESPWAHJPTB-UHFFFAOYSA-N 0 0 409.667 4.252 20 30 HIEDRN N#Cc1ccccc1COc1cccc(-c2nc(-c3cccnc3-n3cccn3)no2)c1 ZINC000544188587 940347861 /nfs/dbraw/zinc/34/78/61/940347861.db2.gz FPOOWMRLOKRYMR-UHFFFAOYSA-N 0 0 420.432 4.435 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000544246731 940366564 /nfs/dbraw/zinc/36/65/64/940366564.db2.gz ABWQAPURETWIRA-UHFFFAOYSA-N 0 0 423.391 4.477 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3nc(Cc4ccccc4)cs3)CC2)c(F)c1 ZINC000544270725 940374791 /nfs/dbraw/zinc/37/47/91/940374791.db2.gz NUYBLBGJKOPKAQ-UHFFFAOYSA-N 0 0 421.501 4.099 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCC(OC[C@H]4CCOC4)CC3)cc2)cc1 ZINC000544279711 940377887 /nfs/dbraw/zinc/37/78/87/940377887.db2.gz HBRBJNDYPCSAJO-FQEVSTJZSA-N 0 0 420.509 4.203 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(-c3ccc(OCc4ccccn4)cc3)n2)c1 ZINC000544341025 940394305 /nfs/dbraw/zinc/39/43/05/940394305.db2.gz JYZNUNVDNTZRTE-UHFFFAOYSA-N 0 0 412.449 4.293 20 30 HIEDRN N#Cc1cc(C(=O)Nc2cc(F)c(F)cc2I)ccc1Cl ZINC000544398384 940412073 /nfs/dbraw/zinc/41/20/73/940412073.db2.gz BGTROOOYJNOMFJ-UHFFFAOYSA-N 0 0 418.568 4.347 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(-c3ccn(-c4ccc(Cl)cc4)n3)n2)c1 ZINC000544402546 940413389 /nfs/dbraw/zinc/41/33/89/940413389.db2.gz PVDSBUSVEMLNDY-UHFFFAOYSA-N 0 0 405.845 4.159 20 30 HIEDRN CC[C@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1nccs1 ZINC000544414572 940417013 /nfs/dbraw/zinc/41/70/13/940417013.db2.gz ATGZCYXDFOKGJP-IBGZPJMESA-N 0 0 419.554 4.364 20 30 HIEDRN C=C(C)Cn1c(SCc2nc(-c3cccnc3OCC)no2)nnc1-c1ccco1 ZINC000544480646 940449763 /nfs/dbraw/zinc/44/97/63/940449763.db2.gz DEJSBBMIRRTPDS-UHFFFAOYSA-N 0 0 424.486 4.250 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C(F)F)c1Cl ZINC000544488714 940454100 /nfs/dbraw/zinc/45/41/00/940454100.db2.gz NPTIVOXHNNCXOM-UHFFFAOYSA-N 0 0 403.816 4.303 20 30 HIEDRN COc1ccccc1-c1noc([C@H](C)NCc2ccc(C#N)cc2OC(F)F)n1 ZINC000544518869 940469591 /nfs/dbraw/zinc/46/95/91/940469591.db2.gz PNRCTAFNOJTIOK-LBPRGKRZSA-N 0 0 400.385 4.069 20 30 HIEDRN N#Cc1ccsc1NC(=O)CNC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000544525188 940471432 /nfs/dbraw/zinc/47/14/32/940471432.db2.gz XHAGHGHKNMUKNY-UHFFFAOYSA-N 0 0 413.547 4.438 20 30 HIEDRN C=CCc1cc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)cc(OC)c1OC ZINC000544537523 940474521 /nfs/dbraw/zinc/47/45/21/940474521.db2.gz FXGHXCZDQPQIOO-UHFFFAOYSA-N 0 0 410.430 4.045 20 30 HIEDRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000544543540 940475768 /nfs/dbraw/zinc/47/57/68/940475768.db2.gz VCLYEZIDRXAOSN-OPYAIIAOSA-N 0 0 419.525 4.211 20 30 HIEDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000544543537 940475781 /nfs/dbraw/zinc/47/57/81/940475781.db2.gz VCLYEZIDRXAOSN-DBXWQHBBSA-N 0 0 419.525 4.211 20 30 HIEDRN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NS(=O)(=O)CCC(C)(C)C#N ZINC000563915569 945323938 /nfs/dbraw/zinc/32/39/38/945323938.db2.gz KOCPXRZYXQASNV-XHDPSFHLSA-N 0 0 417.394 4.091 20 30 HIEDRN N#CCC[C@@H](NC(=O)c1ncc(Br)cc1Br)c1ccccc1 ZINC000544697109 940503918 /nfs/dbraw/zinc/50/39/18/940503918.db2.gz FNQUPYQOZKCFPR-CQSZACIVSA-N 0 0 423.108 4.381 20 30 HIEDRN COC(=O)c1cncc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 ZINC000544723176 940507446 /nfs/dbraw/zinc/50/74/46/940507446.db2.gz MQEFMMUENXRFPW-UHFFFAOYSA-N 0 0 405.841 4.240 20 30 HIEDRN N#CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCCC1 ZINC000544724340 940507665 /nfs/dbraw/zinc/50/76/65/940507665.db2.gz GIBLXGHWGCEZFK-NVXWUHKLSA-N 0 0 400.466 4.345 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)c2ccc(OC)cc2)cc1 ZINC000544747088 940510278 /nfs/dbraw/zinc/51/02/78/940510278.db2.gz ODTYFVGTEJXEIO-UHFFFAOYSA-N 0 0 408.498 4.239 20 30 HIEDRN CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@]12CCCO2 ZINC000544787618 940513951 /nfs/dbraw/zinc/51/39/51/940513951.db2.gz GPSQFNHOGNGYLV-QZNHQXDQSA-N 0 0 407.470 4.199 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCCC3=O)cc2)cc1 ZINC000544809780 940516301 /nfs/dbraw/zinc/51/63/01/940516301.db2.gz GRUVFEYMOLNXBS-XZOQPEGZSA-N 0 0 418.493 4.145 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000544821550 940517354 /nfs/dbraw/zinc/51/73/54/940517354.db2.gz OZMJTIQSJHMNGN-UHFFFAOYSA-N 0 0 418.478 4.441 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000544836198 940518507 /nfs/dbraw/zinc/51/85/07/940518507.db2.gz KXRWXFOPUDBQQQ-CYBMUJFWSA-N 0 0 423.332 4.101 20 30 HIEDRN CCN(C(=O)c1ccc(I)c(O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000544851830 940519353 /nfs/dbraw/zinc/51/93/53/940519353.db2.gz BOURFMBKNLUTBW-GFCCVEGCSA-N 0 0 420.250 4.092 20 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CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051050133 849429475 /nfs/dbraw/zinc/42/94/75/849429475.db2.gz WSKMQWVSGUVMCO-HUUCEWRRSA-N 0 0 404.536 4.008 20 30 HIEDRN Cc1nc2ccccc2n1CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000051373486 849463476 /nfs/dbraw/zinc/46/34/76/849463476.db2.gz CQKLGAIFVGYEIJ-UHFFFAOYSA-N 0 0 414.465 4.209 20 30 HIEDRN CC(=O)NC1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000051615474 849491571 /nfs/dbraw/zinc/49/15/71/849491571.db2.gz YVGUQDOTKYYBPY-HXUWFJFHSA-N 0 0 410.905 4.128 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2ccc(C)c(NC(C)=O)c2C)cc(OC)c1OC ZINC000051618072 849493121 /nfs/dbraw/zinc/49/31/21/849493121.db2.gz BKYBICCEPOSVJZ-UHFFFAOYSA-N 0 0 411.502 4.329 20 30 HIEDRN CN(C(=O)C1CC1)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000051656085 849498911 /nfs/dbraw/zinc/49/89/11/849498911.db2.gz KBQOBECKOGUVIB-HNNXBMFYSA-N 0 0 408.408 4.294 20 30 HIEDRN N#CCCn1cc(C(=O)CSc2n[nH]c(-c3ccccc3O)n2)c2ccccc21 ZINC000436849420 862028844 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000436864597 862044140 /nfs/dbraw/zinc/04/41/40/862044140.db2.gz OHKMGYTXHVZOOP-GFCCVEGCSA-N 0 0 415.284 4.637 20 30 HIEDRN COc1ccc(-c2nc(NC(=O)COc3ccc(C#N)cc3OC)sc2C)cc1 ZINC000053270722 849688198 /nfs/dbraw/zinc/68/81/98/849688198.db2.gz ONEADWXAJKVOKQ-UHFFFAOYSA-N 0 0 409.467 4.025 20 30 HIEDRN C=CCn1c(SCC(=O)NCCC2CCCCC2)nnc1-c1ccccc1OC ZINC000053470690 849716386 /nfs/dbraw/zinc/71/63/86/849716386.db2.gz VORHMEWADFNWLZ-UHFFFAOYSA-N 0 0 414.575 4.318 20 30 HIEDRN C=CCn1c(SCC(=O)N([C@H](C)C2CC2)C2CC2)nnc1-c1ccc(OC)cc1 ZINC000053471190 849716614 /nfs/dbraw/zinc/71/66/14/849716614.db2.gz PQXAAUSADYZUTO-OAHLLOKOSA-N 0 0 412.559 4.021 20 30 HIEDRN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)c12 ZINC000053527781 849727463 /nfs/dbraw/zinc/72/74/63/849727463.db2.gz UFNKZZZSNOZINV-UHFFFAOYSA-N 0 0 418.505 4.435 20 30 HIEDRN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCc2c(F)cccc2F)n1 ZINC000053537748 849728064 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RSENTHXLTLORSB-GFCCVEGCSA-N 0 0 423.328 4.444 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000427556822 856864491 /nfs/dbraw/zinc/86/44/91/856864491.db2.gz RBDDWZVCANIKGW-UHFFFAOYSA-N 0 0 400.400 4.079 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000437487267 862844435 /nfs/dbraw/zinc/84/44/35/862844435.db2.gz YSTFTKOBIZQRSK-JXFKEZNVSA-N 0 0 413.518 4.305 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC(C)C ZINC000427591291 856880281 /nfs/dbraw/zinc/88/02/81/856880281.db2.gz IUFRQCDJWKSHGD-LEWJYISDSA-N 0 0 405.498 4.019 20 30 HIEDRN C=CCn1c(SCC(=O)N2CC3(CCC3(F)F)C2)nnc1-c1ccc(Cl)cc1 ZINC000427599712 856884260 /nfs/dbraw/zinc/88/42/60/856884260.db2.gz PTCZGBFXZIYNHG-UHFFFAOYSA-N 0 0 424.904 4.134 20 30 HIEDRN C=CC[C@H](C(=O)N(CCO)Cc1cc(Br)ccc1F)c1ccccc1 ZINC000427637880 856894040 /nfs/dbraw/zinc/89/40/40/856894040.db2.gz ILWHCEYQKJMFCB-SFHVURJKSA-N 0 0 406.295 4.269 20 30 HIEDRN CS(=O)(=O)c1ccc(-c2nc(CSCc3cccc(F)c3C#N)co2)cc1 ZINC000427824312 856971123 /nfs/dbraw/zinc/97/11/23/856971123.db2.gz FBKMVWKJVOYNFU-UHFFFAOYSA-N 0 0 402.472 4.189 20 30 HIEDRN N#Cc1cnc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(Cl)c1 ZINC000427891331 856995981 /nfs/dbraw/zinc/99/59/81/856995981.db2.gz BEMCNZFKSLCMII-UHFFFAOYSA-N 0 0 401.253 4.421 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)cc1Cl ZINC000427902465 857000538 /nfs/dbraw/zinc/00/05/38/857000538.db2.gz ODGLJBYNGUOOIV-IEBWSBKVSA-N 0 0 424.884 4.214 20 30 HIEDRN CC[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1c(C)nn(C)c1C ZINC000437510458 862859866 /nfs/dbraw/zinc/85/98/66/862859866.db2.gz AIMRBPSMZKQVES-GOSISDBHSA-N 0 0 408.531 4.229 20 30 HIEDRN N#CCCCn1cc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)c2ccccc21 ZINC000427942504 857017261 /nfs/dbraw/zinc/01/72/61/857017261.db2.gz VICDCNITVIJHCT-UHFFFAOYSA-N 0 0 401.470 4.029 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000437520642 862864784 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CC(C)C(=O)Nc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428201234 857108926 /nfs/dbraw/zinc/10/89/26/857108926.db2.gz FMAZZTHQUPWYIZ-UHFFFAOYSA-N 0 0 401.470 4.311 20 30 HIEDRN CCCOCc1ccccc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428215939 857114685 /nfs/dbraw/zinc/11/46/85/857114685.db2.gz AXFNACFZCZFBMU-UHFFFAOYSA-N 0 0 402.498 4.320 20 30 HIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)C(=O)c3ccc(Cl)s3)c2)c1 ZINC000428240360 857122921 /nfs/dbraw/zinc/12/29/21/857122921.db2.gz SCHJLKUNODVRMU-UHFFFAOYSA-N 0 0 409.854 4.347 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000428264354 857132861 /nfs/dbraw/zinc/13/28/61/857132861.db2.gz CCPZRWMWIRVGAX-SFTDATJTSA-N 0 0 417.509 4.033 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428264184 857133317 /nfs/dbraw/zinc/13/33/17/857133317.db2.gz ZERDOONHDJJKPI-UHFFFAOYSA-N 0 0 401.470 4.455 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000428264351 857133342 /nfs/dbraw/zinc/13/33/42/857133342.db2.gz CCPZRWMWIRVGAX-OYRHEFFESA-N 0 0 417.509 4.033 20 30 HIEDRN N#Cc1csc(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000437544996 862877854 /nfs/dbraw/zinc/87/78/54/862877854.db2.gz GYMKAUXOSSYPQE-UHFFFAOYSA-N 0 0 404.278 4.389 20 30 HIEDRN COc1cc(OC)c2ncc(C#N)c(OCC(=O)Nc3ccc(Cl)cc3C)c2c1 ZINC000428283709 857140825 /nfs/dbraw/zinc/14/08/25/857140825.db2.gz BZFIXBOGNNPKTJ-UHFFFAOYSA-N 0 0 411.845 4.103 20 30 HIEDRN C[C@H](CN(C(=O)c1cc(C#N)cs1)c1ccccc1)NC(=O)c1cc(C#N)cs1 ZINC000437564472 862888206 /nfs/dbraw/zinc/88/82/06/862888206.db2.gz DBZMSVIHIYMQLF-CQSZACIVSA-N 0 0 420.519 4.018 20 30 HIEDRN CC[C@H](C)[C@H](NC(=O)c1cc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000437568075 862890217 /nfs/dbraw/zinc/89/02/17/862890217.db2.gz MPBCICNCHLMSPN-YWZLYKJASA-N 0 0 410.543 4.003 20 30 HIEDRN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000428621943 857280894 /nfs/dbraw/zinc/28/08/94/857280894.db2.gz NMCVNJSXZGUQAC-FQEVSTJZSA-N 0 0 413.905 4.167 20 30 HIEDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000428771357 857328952 /nfs/dbraw/zinc/32/89/52/857328952.db2.gz HPXPTCSQYSIYBY-UHFFFAOYSA-N 0 0 410.474 4.114 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786395 857338930 /nfs/dbraw/zinc/33/89/30/857338930.db2.gz ICXKHJGRUKWDGM-JTHBVZDNSA-N 0 0 423.476 4.246 20 30 HIEDRN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000428789917 857340737 /nfs/dbraw/zinc/34/07/37/857340737.db2.gz ZUFODJZRKSZDLY-IBGZPJMESA-N 0 0 424.508 4.200 20 30 HIEDRN N#CCCn1ncc(C(=O)NCC2(c3ccc(F)cc3F)CC2)c1-c1ccccc1 ZINC000428789974 857340834 /nfs/dbraw/zinc/34/08/34/857340834.db2.gz AAELNBQRGMPVRQ-UHFFFAOYSA-N 0 0 406.436 4.204 20 30 HIEDRN COC(=O)C12CCC(C(=O)N[C@@H](C#N)c3ccc(OCc4ccccc4)cc3)(CC1)C2 ZINC000428796878 857345719 /nfs/dbraw/zinc/34/57/19/857345719.db2.gz AABPOEFHCLNIMF-ANYOXOOPSA-N 0 0 418.493 4.070 20 30 HIEDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CC(=O)Nc1sccc1C#N ZINC000428803500 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408.845 4.009 20 30 HIEDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000429173959 857541511 /nfs/dbraw/zinc/54/15/11/857541511.db2.gz XGLHOEWSGBGOGN-KRWDZBQOSA-N 0 0 420.513 4.466 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429185439 857545653 /nfs/dbraw/zinc/54/56/53/857545653.db2.gz VGASMZFTYGEZBG-IFMALSPDSA-N 0 0 402.535 4.359 20 30 HIEDRN C[C@H]1CN(c2ccc(CNc3c(Br)cc(Cl)cc3C#N)cn2)CCO1 ZINC000429192617 857547792 /nfs/dbraw/zinc/54/77/92/857547792.db2.gz HZCNQALNTJBXBB-LBPRGKRZSA-N 0 0 421.726 4.206 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3ncccc3Cl)CC2)c1C ZINC000429215948 857558723 /nfs/dbraw/zinc/55/87/23/857558723.db2.gz NTHADCDQGIEVGG-UHFFFAOYSA-N 0 0 410.949 4.478 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429238229 857569544 /nfs/dbraw/zinc/56/95/44/857569544.db2.gz QMRKIBHPXFILRR-HNNXBMFYSA-N 0 0 412.515 4.452 20 30 HIEDRN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)N(CCC#N)CCC(C)C)c1 ZINC000429257849 857578735 /nfs/dbraw/zinc/57/87/35/857578735.db2.gz FYZQJLHHHKMWNM-UHFFFAOYSA-N 0 0 422.595 4.128 20 30 HIEDRN Cc1sc(NC(=O)CN(CCc2ccccc2)Cc2cccnc2)c(C#N)c1C ZINC000429281394 857588852 /nfs/dbraw/zinc/58/88/52/857588852.db2.gz BQRZJDPSRHZAOI-UHFFFAOYSA-N 0 0 404.539 4.315 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(O)(C(F)F)CC1 ZINC000429353672 857616093 /nfs/dbraw/zinc/61/60/93/857616093.db2.gz AHNUOYUXRMMURK-UHFFFAOYSA-N 0 0 401.413 4.283 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000429539021 857732143 /nfs/dbraw/zinc/73/21/43/857732143.db2.gz JMEIEXWNUAYIII-UHFFFAOYSA-N 0 0 422.492 4.745 20 30 HIEDRN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(c3ccncc3)CC2)c1C#N ZINC000429552137 857744189 /nfs/dbraw/zinc/74/41/89/857744189.db2.gz IGSHMDDOZPVLQN-UHFFFAOYSA-N 0 0 413.525 4.179 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429572594 857757646 /nfs/dbraw/zinc/75/76/46/857757646.db2.gz UYPFQXUGUJIELO-SFTDATJTSA-N 0 0 403.461 4.374 20 30 HIEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N1CCC(O)(C(F)F)CC1 ZINC000429573208 857757887 /nfs/dbraw/zinc/75/78/87/857757887.db2.gz LLLCWPBJUDLZFG-LLVKDONJSA-N 0 0 420.300 4.110 20 30 HIEDRN Cc1c(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000429597826 857779185 /nfs/dbraw/zinc/77/91/85/857779185.db2.gz MTJLNYCRUIIHDA-HNNXBMFYSA-N 0 0 424.386 4.269 20 30 HIEDRN CCCc1c(NC(=O)NCCOc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000429632095 857808991 /nfs/dbraw/zinc/80/89/91/857808991.db2.gz QFTXNVHAVBPDFM-UHFFFAOYSA-N 0 0 407.449 4.036 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000429667391 857826761 /nfs/dbraw/zinc/82/67/61/857826761.db2.gz XBLGIJGOIVTEPZ-CYBMUJFWSA-N 0 0 403.404 4.214 20 30 HIEDRN C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000429738719 857860956 /nfs/dbraw/zinc/86/09/56/857860956.db2.gz XHYIQUGRIXTSGH-AWEZNQCLSA-N 0 0 424.302 4.448 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429757354 857874038 /nfs/dbraw/zinc/87/40/38/857874038.db2.gz GJLVCQRLVMLGBI-QRFQSNJMSA-N 0 0 413.518 4.365 20 30 HIEDRN COc1ccc(I)c(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000429793277 857887332 /nfs/dbraw/zinc/88/73/32/857887332.db2.gz YKRJIJYHLHTKOF-UHFFFAOYSA-N 0 0 424.263 4.168 20 30 HIEDRN CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3cccc(SCC#N)c3)cc21 ZINC000429841800 857907514 /nfs/dbraw/zinc/90/75/14/857907514.db2.gz BGLIDRADAKLIEL-UHFFFAOYSA-N 0 0 409.511 4.326 20 30 HIEDRN CC(C)N(Cc1ccco1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000429905717 857938608 /nfs/dbraw/zinc/93/86/08/857938608.db2.gz VVFPKSPJVDBNHJ-UHFFFAOYSA-N 0 0 403.438 4.319 20 30 HIEDRN Cc1cc(I)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000429963700 857973177 /nfs/dbraw/zinc/97/31/77/857973177.db2.gz APVFLTRMUYIIKE-UHFFFAOYSA-N 0 0 408.264 4.468 20 30 HIEDRN NC(=O)[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000429979706 857981295 /nfs/dbraw/zinc/98/12/95/857981295.db2.gz JWHOHAPLBNHXQV-ZDUSSCGKSA-N 0 0 423.288 4.211 20 30 HIEDRN CCN(C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCCC1 ZINC000429999152 857990319 /nfs/dbraw/zinc/99/03/19/857990319.db2.gz IGIZVCMGJZPPCF-UHFFFAOYSA-N 0 0 419.525 4.451 20 30 HIEDRN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1S[C@H]1CC[C@@H](C#N)C1 ZINC000430092551 858028658 /nfs/dbraw/zinc/02/86/58/858028658.db2.gz AEPJLSMFKYTZBX-CVEARBPZSA-N 0 0 418.588 4.015 20 30 HIEDRN C=CC[C@@H](C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1 ZINC000430118825 858040427 /nfs/dbraw/zinc/04/04/27/858040427.db2.gz FJJQTRHQDWJMLZ-FXAWDEMLSA-N 0 0 402.332 4.076 20 30 HIEDRN CSc1cc(Br)ccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430168939 858063411 /nfs/dbraw/zinc/06/34/11/858063411.db2.gz USANIELFDQTTFN-INIZCTEOSA-N 0 0 404.333 4.091 20 30 HIEDRN CCc1ccc([C@H]2CN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CCO2)cc1 ZINC000430203717 858080342 /nfs/dbraw/zinc/08/03/42/858080342.db2.gz JUTUHFAOCZDVCX-HSZRJFAPSA-N 0 0 414.509 4.240 20 30 HIEDRN CCCc1c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1-c1ccc(C)cc1 ZINC000430256017 858097649 /nfs/dbraw/zinc/09/76/49/858097649.db2.gz HCUANYAWLWNXGW-DEOSSOPVSA-N 0 0 414.509 4.219 20 30 HIEDRN COc1cc(C#N)ccc1OCCN(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430260131 858099211 /nfs/dbraw/zinc/09/92/11/858099211.db2.gz RQKWKVYUHPXFSN-UHFFFAOYSA-N 0 0 410.905 4.035 20 30 HIEDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000430316556 858120162 /nfs/dbraw/zinc/12/01/62/858120162.db2.gz FCGMMVMGHJNYFV-IFXJQAMLSA-N 0 0 405.420 4.241 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)c(Cl)c1 ZINC000430355282 858131953 /nfs/dbraw/zinc/13/19/53/858131953.db2.gz LUUFDXOGJXZACF-SFHVURJKSA-N 0 0 404.278 4.433 20 30 HIEDRN Cc1csc(Sc2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2Cl)n1 ZINC000430361961 858133682 /nfs/dbraw/zinc/13/36/82/858133682.db2.gz VHJQUTMYWMYWDW-UHFFFAOYSA-N 0 0 420.947 4.005 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc(F)c(I)c2)c(Cl)c1 ZINC000430366844 858135731 /nfs/dbraw/zinc/13/57/31/858135731.db2.gz REDUUSVZVBLBIA-UHFFFAOYSA-N 0 0 400.578 4.208 20 30 HIEDRN CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430439402 858163975 /nfs/dbraw/zinc/16/39/75/858163975.db2.gz OYUIWYQDSSJHNB-PKOBYXMFSA-N 0 0 407.322 4.074 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430440165 858164751 /nfs/dbraw/zinc/16/47/51/858164751.db2.gz RUJWAQTXVOHEMO-UHFFFAOYSA-N 0 0 409.445 4.464 20 30 HIEDRN Cc1nc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C[C@@H]2C)ccc1C#N ZINC000430455820 858173605 /nfs/dbraw/zinc/17/36/05/858173605.db2.gz OQOARPYMKRVUJT-KRWDZBQOSA-N 0 0 410.477 4.234 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)o2)cc1 ZINC000430459535 858176412 /nfs/dbraw/zinc/17/64/12/858176412.db2.gz VAVSRWLNSRVTCG-SFHVURJKSA-N 0 0 421.884 4.392 20 30 HIEDRN C=CCc1cc(CNC(=O)N2CCCC[C@H]2c2nccn2CC)cc(OC)c1OC ZINC000430572762 858223914 /nfs/dbraw/zinc/22/39/14/858223914.db2.gz OSKWTSPENBLOLR-IBGZPJMESA-N 0 0 412.534 4.086 20 30 HIEDRN COC(=O)COc1c(C)cc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1C ZINC000430612133 858235893 /nfs/dbraw/zinc/23/58/93/858235893.db2.gz QYHUXTMCGMRTAT-HNNXBMFYSA-N 0 0 400.500 4.099 20 30 HIEDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000430693067 858271708 /nfs/dbraw/zinc/27/17/08/858271708.db2.gz YZMYAEAQNOCDJQ-UHFFFAOYSA-N 0 0 403.529 4.096 20 30 HIEDRN CCN(C[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)C1)CC(F)(F)F ZINC000430712142 858276189 /nfs/dbraw/zinc/27/61/89/858276189.db2.gz BUMIQTZBZXPKEQ-NSHDSACASA-N 0 0 400.338 4.191 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2ccccc2OC(F)F)C(=O)[C@@H]1Cc1ccccc1 ZINC000430750674 858288378 /nfs/dbraw/zinc/28/83/78/858288378.db2.gz PETCOMOMNUUHIM-QAPCUYQASA-N 0 0 400.425 4.411 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)CO[C@@H]3CCCc4ccccc43)ccc21 ZINC000430788522 858305762 /nfs/dbraw/zinc/30/57/62/858305762.db2.gz CEGAGNULJIQSPS-HSZRJFAPSA-N 0 0 417.509 4.302 20 30 HIEDRN COCc1nc2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)ccc2o1 ZINC000430790527 858306983 /nfs/dbraw/zinc/30/69/83/858306983.db2.gz ITWWWLDIIULHKA-UHFFFAOYSA-N 0 0 400.394 4.285 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n(Cc2ccccn2)n1 ZINC000430823893 858318186 /nfs/dbraw/zinc/31/81/86/858318186.db2.gz UREJYGLGOGSVQE-UHFFFAOYSA-N 0 0 423.476 4.338 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2ccc(OCC)c(OC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430843708 858328358 /nfs/dbraw/zinc/32/83/58/858328358.db2.gz FJVIOMFEZYUZRT-YLJYHZDGSA-N 0 0 408.498 4.216 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(OC(F)F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430857396 858337779 /nfs/dbraw/zinc/33/77/79/858337779.db2.gz LVDLOYHUYWCJDU-KXBFYZLASA-N 0 0 400.425 4.411 20 30 HIEDRN C[C@@H]1CCN(c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)ccn2)C1 ZINC000437672194 863014267 /nfs/dbraw/zinc/01/42/67/863014267.db2.gz JFZWDFRSZDWUAL-OAHLLOKOSA-N 0 0 402.420 4.004 20 30 HIEDRN C=CCN1C(=O)N(Cc2csc(-c3ccccc3)n2)C(=O)[C@H]1Cc1ccccc1 ZINC000430897681 858360029 /nfs/dbraw/zinc/36/00/29/858360029.db2.gz POPVIEZQCFQIBX-HXUWFJFHSA-N 0 0 403.507 4.372 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000430914566 858368748 /nfs/dbraw/zinc/36/87/48/858368748.db2.gz LRHTUKMTVZNKOI-YKSBVNFPSA-N 0 0 423.532 4.185 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000430916023 858369377 /nfs/dbraw/zinc/36/93/77/858369377.db2.gz GFVLAUNMOPARLU-LAUBAEHRSA-N 0 0 413.468 4.277 20 30 HIEDRN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430938434 858375828 /nfs/dbraw/zinc/37/58/28/858375828.db2.gz BRDBLMIWHXZYGP-UHFFFAOYSA-N 0 0 410.289 4.483 20 30 HIEDRN C=CCc1cc(CN2C(=O)[C@@H]3C[C@@H](C4CCCCC4)CN3C2=O)cc(OC)c1OC ZINC000430995698 858397605 /nfs/dbraw/zinc/39/76/05/858397605.db2.gz HWEATOIRHKGTFO-UXHICEINSA-N 0 0 412.530 4.165 20 30 HIEDRN C=CCN1C(=O)N(CCc2coc(-c3ccc(C)cc3)n2)C(=O)[C@H]1Cc1ccccc1 ZINC000430994279 858397662 /nfs/dbraw/zinc/39/76/62/858397662.db2.gz UGEVOTKTIOEBGB-JOCHJYFZSA-N 0 0 415.493 4.254 20 30 HIEDRN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cccc(SCC#N)c1 ZINC000431029464 858409564 /nfs/dbraw/zinc/40/95/64/858409564.db2.gz CYHASCKQKSXVMI-UHFFFAOYSA-N 0 0 404.539 4.408 20 30 HIEDRN Cc1cncc(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)c1 ZINC000431052634 858420492 /nfs/dbraw/zinc/42/04/92/858420492.db2.gz YUPFFPBISBKKPU-UHFFFAOYSA-N 0 0 402.479 4.245 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2cc(C(N)=O)c(Cl)cc2Cl)c1C ZINC000431130735 858460664 /nfs/dbraw/zinc/46/06/64/858460664.db2.gz WGQSGEAXUSIUOM-UHFFFAOYSA-N 0 0 419.312 4.068 20 30 HIEDRN N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000431135104 858463388 /nfs/dbraw/zinc/46/33/88/858463388.db2.gz AMLPVILVISBDTO-QGZVFWFLSA-N 0 0 403.251 4.202 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)nn1-c1ccc(Br)cc1 ZINC000431170738 858485520 /nfs/dbraw/zinc/48/55/20/858485520.db2.gz YNEWFRBLUWQURK-SFHVURJKSA-N 0 0 413.250 4.077 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)C2)c(F)c1 ZINC000437701900 863035495 /nfs/dbraw/zinc/03/54/95/863035495.db2.gz GZFMCESJZAQOBU-MISYRCLQSA-N 0 0 410.468 4.051 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)cc2C1=O ZINC000431220713 858513229 /nfs/dbraw/zinc/51/32/29/858513229.db2.gz BREVYCQFOMVRAX-UHFFFAOYSA-N 0 0 410.857 4.088 20 30 HIEDRN COc1ccc(C(NC(=O)CNc2cccc(C#N)c2C)c2ccc(OC)cc2)cc1 ZINC000431343626 858573645 /nfs/dbraw/zinc/57/36/45/858573645.db2.gz HAYZWMJFSGCACR-UHFFFAOYSA-N 0 0 415.493 4.202 20 30 HIEDRN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000431389981 858591340 /nfs/dbraw/zinc/59/13/40/858591340.db2.gz JAHZNISPJZXWDD-NRFANRHFSA-N 0 0 406.486 4.215 20 30 HIEDRN Cc1[nH]nc(NC(=O)c2oc3ccccc3c2CSc2ccccc2F)c1C#N ZINC000431454152 858624844 /nfs/dbraw/zinc/62/48/44/858624844.db2.gz BCIQDXUGPWJFNK-UHFFFAOYSA-N 0 0 406.442 5.020 20 30 HIEDRN CN1C(=O)C[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000431461403 858628577 /nfs/dbraw/zinc/62/85/77/858628577.db2.gz ZNJJPNAIWSFQAU-URVUXULASA-N 0 0 424.932 4.346 20 30 HIEDRN CN1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431473150 858633331 /nfs/dbraw/zinc/63/33/31/858633331.db2.gz UBUSOCZOICCLKJ-FSSWDIPSSA-N 0 0 412.484 4.444 20 30 HIEDRN COC(=O)c1cccc(NC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000431544894 858663800 /nfs/dbraw/zinc/66/38/00/858663800.db2.gz LGLGMAWOFNEJRI-UHFFFAOYSA-N 0 0 412.877 4.107 20 30 HIEDRN COCCn1nc(C)c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C ZINC000431556221 858669036 /nfs/dbraw/zinc/66/90/36/858669036.db2.gz KMSDQWYQLUSKSN-UHFFFAOYSA-N 0 0 404.470 4.257 20 30 HIEDRN COc1cc(Br)cc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431616890 858691660 /nfs/dbraw/zinc/69/16/60/858691660.db2.gz KBFPSMCLSJCKFB-GOSISDBHSA-N 0 0 423.332 4.171 20 30 HIEDRN Cc1cccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1Br ZINC000431626118 858697315 /nfs/dbraw/zinc/69/73/15/858697315.db2.gz SXASEOFQZJDJBA-MRXNPFEDSA-N 0 0 407.333 4.471 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000431632233 858701425 /nfs/dbraw/zinc/70/14/25/858701425.db2.gz GYZFFFNTBMVZHR-INIZCTEOSA-N 0 0 411.296 4.302 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000431632314 858701679 /nfs/dbraw/zinc/70/16/79/858701679.db2.gz XBUGZGWWUAPFET-SFHVURJKSA-N 0 0 407.417 4.291 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000437725266 863055175 /nfs/dbraw/zinc/05/51/75/863055175.db2.gz XZHZGVQBBOJRRY-KEYYUXOJSA-N 0 0 413.381 4.210 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1 ZINC000431700979 858749349 /nfs/dbraw/zinc/74/93/49/858749349.db2.gz ZAYXGIOGCICFED-HXUWFJFHSA-N 0 0 400.486 4.448 20 30 HIEDRN COc1ccc([C@H]2NC(=O)N(Cc3ccc(-c4ccccc4C#N)cc3)C2=O)cc1F ZINC000431705295 858752640 /nfs/dbraw/zinc/75/26/40/858752640.db2.gz PNTCRJRYPFOESE-JOCHJYFZSA-N 0 0 415.424 4.166 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000431747698 858784652 /nfs/dbraw/zinc/78/46/52/858784652.db2.gz ZBLCWZRHZWZALA-IBGZPJMESA-N 0 0 404.470 4.473 20 30 HIEDRN C=CCN1C(=O)N([C@H](C[C@H]2CCOC2)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431759971 858795794 /nfs/dbraw/zinc/79/57/94/858795794.db2.gz VYTCBGWONUUJPR-MZYLBHOOSA-N 0 0 404.510 4.216 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1 ZINC000431781668 858809093 /nfs/dbraw/zinc/80/90/93/858809093.db2.gz LTGLHPRFOWGXIR-JOCHJYFZSA-N 0 0 404.514 4.043 20 30 HIEDRN Cc1cc(N[C@H](CC(N)=O)c2cccc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000431818225 858826394 /nfs/dbraw/zinc/82/63/94/858826394.db2.gz OJBZDCJVQAQDAN-GOSISDBHSA-N 0 0 403.873 4.350 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccccc1 ZINC000431872745 858849890 /nfs/dbraw/zinc/84/98/90/858849890.db2.gz PUSXJZCSNAIVHJ-FCHUYYIVSA-N 0 0 420.513 4.038 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCSC2(CCCCC2)C1 ZINC000431893223 858859523 /nfs/dbraw/zinc/85/95/23/858859523.db2.gz CKJLTMUUFMGNKL-UHFFFAOYSA-N 0 0 404.479 4.017 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431906750 858864171 /nfs/dbraw/zinc/86/41/71/858864171.db2.gz IEJHIKLNGLXDIC-NRFANRHFSA-N 0 0 413.449 4.032 20 30 HIEDRN CCc1ccc([C@@H](c2cccnc2)N(CC)S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000431911173 858867005 /nfs/dbraw/zinc/86/70/05/858867005.db2.gz YDWCMKCLIHOPKW-DEOSSOPVSA-N 0 0 419.550 4.457 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431916831 858869168 /nfs/dbraw/zinc/86/91/68/858869168.db2.gz QEHHQRHOTICWHX-OAQYLSRUSA-N 0 0 413.449 4.032 20 30 HIEDRN N#CCCC[C@@H](NC(=O)NC[C@H]1CSCCN1Cc1ccccc1)c1ccccc1 ZINC000431917218 858869341 /nfs/dbraw/zinc/86/93/41/858869341.db2.gz UTCMXUJBBNSURY-XZOQPEGZSA-N 0 0 422.598 4.338 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000431927484 858873941 /nfs/dbraw/zinc/87/39/41/858873941.db2.gz UXMMXTJAVLEGKA-HSZRJFAPSA-N 0 0 423.513 4.342 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000431928908 858874651 /nfs/dbraw/zinc/87/46/51/858874651.db2.gz XADXAPFLVGLLBJ-UHFFFAOYSA-N 0 0 415.497 4.308 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 ZINC000431938631 858878514 /nfs/dbraw/zinc/87/85/14/858878514.db2.gz OUYRFZFSIDKGRN-PKOBYXMFSA-N 0 0 410.905 4.180 20 30 HIEDRN CO[C@@]1(C)CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000431943434 858881432 /nfs/dbraw/zinc/88/14/32/858881432.db2.gz TZYUXQFWTBDTGC-QHCPKHFHSA-N 0 0 406.486 4.233 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431952155 858884373 /nfs/dbraw/zinc/88/43/73/858884373.db2.gz PWEOHANVFQXOLO-QHAWAJNXSA-N 0 0 410.901 4.232 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000431955839 858886840 /nfs/dbraw/zinc/88/68/40/858886840.db2.gz WDAUTVBECUCYMZ-UHFFFAOYSA-N 0 0 416.506 4.240 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1c(C)cc(C)cc1Br ZINC000431956872 858886964 /nfs/dbraw/zinc/88/69/64/858886964.db2.gz ZGSPFZBUZHRJQL-UHFFFAOYSA-N 0 0 407.333 4.281 20 30 HIEDRN CCCN(Cc1ccccc1Br)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000431976763 858898853 /nfs/dbraw/zinc/89/88/53/858898853.db2.gz HCLMRVLSUGPUBZ-UHFFFAOYSA-N 0 0 414.303 4.007 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@]2(CCOC2)O1 ZINC000431987961 858906557 /nfs/dbraw/zinc/90/65/57/858906557.db2.gz RZLGODTZJYCFBN-CYFREDJKSA-N 0 0 421.497 4.461 20 30 HIEDRN CCN(C(=O)C(=O)Nc1cccc(C#N)c1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000431991922 858908776 /nfs/dbraw/zinc/90/87/76/858908776.db2.gz MJTYPRILBAYNIW-AWEZNQCLSA-N 0 0 403.404 4.434 20 30 HIEDRN C=CCN1C(=O)N([C@H](c2ccco2)c2ccccc2OC)C(=O)[C@@H]1Cc1ccccc1 ZINC000432049847 858950463 /nfs/dbraw/zinc/95/04/63/858950463.db2.gz OJCLDKDIQQHYDG-REWPJTCUSA-N 0 0 416.477 4.439 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000432049907 858951152 /nfs/dbraw/zinc/95/11/52/858951152.db2.gz OPKSZJJBIGKBDJ-UHFFFAOYSA-N 0 0 405.527 4.084 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000432063579 858961054 /nfs/dbraw/zinc/96/10/54/858961054.db2.gz NZKJSHGNWKZXPM-UHFFFAOYSA-N 0 0 419.418 4.352 20 30 HIEDRN CCO[C@@H]1C[C@@]2(NC(=O)N([C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)C1(C)C ZINC000432079483 858973475 /nfs/dbraw/zinc/97/34/75/858973475.db2.gz LTYLUFUVNXWXIY-YCEDGAFSSA-N 0 0 417.509 4.412 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000432104414 858992591 /nfs/dbraw/zinc/99/25/91/858992591.db2.gz ZQMPYZZIYUQOKL-KKSFZXQISA-N 0 0 403.548 4.130 20 30 HIEDRN C=CCNC(=O)c1ccc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)nc1 ZINC000432130961 859007330 /nfs/dbraw/zinc/00/73/30/859007330.db2.gz UQDJXOBFDUZFKE-SFHVURJKSA-N 0 0 419.447 4.373 20 30 HIEDRN COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N[C@@H](C)C#N)c1OC ZINC000432136668 859011188 /nfs/dbraw/zinc/01/11/88/859011188.db2.gz QIAWMORJUUBGJQ-WSTOHFRZSA-N 0 0 413.477 4.381 20 30 HIEDRN N#Cc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000432140590 859012166 /nfs/dbraw/zinc/01/21/66/859012166.db2.gz XHDJOIBYTOKKBS-UHFFFAOYSA-N 0 0 406.261 4.422 20 30 HIEDRN O=C(Nc1cc(C(F)(F)F)ccc1SCC(F)F)N(CCO)CC(F)F ZINC000432156946 859021509 /nfs/dbraw/zinc/02/15/09/859021509.db2.gz WUFPOTRITSPMPX-UHFFFAOYSA-N 0 0 408.339 4.154 20 30 HIEDRN CN(C(=O)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1)c1ccccc1 ZINC000432210790 859048791 /nfs/dbraw/zinc/04/87/91/859048791.db2.gz QVUIDIMGEBSTKS-OAHLLOKOSA-N 0 0 416.403 4.094 20 30 HIEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000432267122 859076202 /nfs/dbraw/zinc/07/62/02/859076202.db2.gz JYINQKBSGXYSRK-GOSISDBHSA-N 0 0 406.429 4.493 20 30 HIEDRN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000432281400 859083044 /nfs/dbraw/zinc/08/30/44/859083044.db2.gz DOITUBZQTGYJKG-VIFPVBQESA-N 0 0 413.314 4.488 20 30 HIEDRN CCN(C(=O)Nc1cc(C)n(CCC#N)n1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000432286072 859085449 /nfs/dbraw/zinc/08/54/49/859085449.db2.gz PWJOXSNETYDAKL-AWEZNQCLSA-N 0 0 407.440 4.609 20 30 HIEDRN CC[C@H](C(=O)N1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1)c1ccccc1 ZINC000432289052 859087079 /nfs/dbraw/zinc/08/70/79/859087079.db2.gz KSBVPDQIBBKPEQ-NRFANRHFSA-N 0 0 404.514 4.173 20 30 HIEDRN CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000432296473 859090470 /nfs/dbraw/zinc/09/04/70/859090470.db2.gz FDCQHRPUKKQNOO-UHFFFAOYSA-N 0 0 406.788 4.190 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000432302801 859093266 /nfs/dbraw/zinc/09/32/66/859093266.db2.gz OFAJWHNOLWRZKS-AWEZNQCLSA-N 0 0 423.826 4.334 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000432316763 859100548 /nfs/dbraw/zinc/10/05/48/859100548.db2.gz ACFGEFAYLBSPIJ-KRWDZBQOSA-N 0 0 412.511 4.051 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cccc(N(C)C)c2)cc1C ZINC000432333241 859106802 /nfs/dbraw/zinc/10/68/02/859106802.db2.gz ATVJVUPRAFSHEK-UHFFFAOYSA-N 0 0 415.541 4.419 20 30 HIEDRN C=CCn1c(SCc2nc(Cc3ccccc3C)no2)nc2sccc2c1=O ZINC000432379467 859132176 /nfs/dbraw/zinc/13/21/76/859132176.db2.gz VNQLTMIRRLCYEH-UHFFFAOYSA-N 0 0 410.524 4.219 20 30 HIEDRN C=CCC[C@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@H](Cc2ccccn2)C1=O ZINC000432391698 859141085 /nfs/dbraw/zinc/14/10/85/859141085.db2.gz MTHRHHMBOYHEHI-ZWKOTPCHSA-N 0 0 403.404 4.271 20 30 HIEDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000432404165 859147907 /nfs/dbraw/zinc/14/79/07/859147907.db2.gz CYGYHNGTKKDVHZ-LBPRGKRZSA-N 0 0 402.248 4.452 20 30 HIEDRN Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000432426895 859159988 /nfs/dbraw/zinc/15/99/88/859159988.db2.gz AOIMSUXCVDIEQB-UHFFFAOYSA-N 0 0 418.501 4.291 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000432485109 859187441 /nfs/dbraw/zinc/18/74/41/859187441.db2.gz JIQCYJUVLNEAAL-LJQANCHMSA-N 0 0 416.447 4.126 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)Cn2nc(C#N)c3ccccc32)c1C#N ZINC000432491097 859190618 /nfs/dbraw/zinc/19/06/18/859190618.db2.gz VGTUTFNHXFKKCN-UHFFFAOYSA-N 0 0 400.486 4.342 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432495995 859193103 /nfs/dbraw/zinc/19/31/03/859193103.db2.gz JRWADBBBAROTTM-UHFFFAOYSA-N 0 0 418.522 4.415 20 30 HIEDRN C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ncc(Br)cn1 ZINC000432524198 859207113 /nfs/dbraw/zinc/20/71/13/859207113.db2.gz QDMTXQWTQHXIPV-CZUORRHYSA-N 0 0 402.296 4.034 20 30 HIEDRN Cc1ccc(OC2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)cc1C ZINC000432541787 859217937 /nfs/dbraw/zinc/21/79/37/859217937.db2.gz LIJOVWJICNSFEH-UHFFFAOYSA-N 0 0 419.525 4.354 20 30 HIEDRN CCOc1ccc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000432589950 859242479 /nfs/dbraw/zinc/24/24/79/859242479.db2.gz XQHKGAGRDGNEME-QFIPXVFZSA-N 0 0 405.498 4.429 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)nc1 ZINC000432691307 859297264 /nfs/dbraw/zinc/29/72/64/859297264.db2.gz WEFAGFVDLHZWDO-GOSISDBHSA-N 0 0 420.469 4.070 20 30 HIEDRN C[C@@H](c1ccccc1)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(N)=O ZINC000432753073 859336116 /nfs/dbraw/zinc/33/61/16/859336116.db2.gz ABIOXRLZHQWCDS-AOMKIAJQSA-N 0 0 414.465 4.130 20 30 HIEDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000432767783 859347502 /nfs/dbraw/zinc/34/75/02/859347502.db2.gz IXAUKHXTIPWNGS-HNNXBMFYSA-N 0 0 420.391 4.056 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1Br ZINC000432767805 859347699 /nfs/dbraw/zinc/34/76/99/859347699.db2.gz JEEMIXURNRDAPJ-UHFFFAOYSA-N 0 0 419.222 4.226 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1Br ZINC000432772987 859352628 /nfs/dbraw/zinc/35/26/28/859352628.db2.gz YUGNKHNWVJQTFA-UHFFFAOYSA-N 0 0 418.272 4.140 20 30 HIEDRN C=CCOc1c(Br)cc(CN(C)Cc2cn3c(n2)CCCC3)cc1OC ZINC000432799435 859366406 /nfs/dbraw/zinc/36/64/06/859366406.db2.gz XLPXFXAVSOZRFQ-UHFFFAOYSA-N 0 0 420.351 4.187 20 30 HIEDRN CC(C)Cn1ccc2cc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc21 ZINC000432837300 859380619 /nfs/dbraw/zinc/38/06/19/859380619.db2.gz RISAQKKRIVXFSJ-FQEVSTJZSA-N 0 0 403.486 4.249 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432872659 859401467 /nfs/dbraw/zinc/40/14/67/859401467.db2.gz NOUKXEMXTGBANH-UHFFFAOYSA-N 0 0 401.514 4.007 20 30 HIEDRN CN(C(=O)Nc1cccc(C#Cc2ccccc2)c1)C1CCN(c2cnccn2)CC1 ZINC000432901785 859418588 /nfs/dbraw/zinc/41/85/88/859418588.db2.gz QTWVJNXCLBJJTE-UHFFFAOYSA-N 0 0 411.509 4.009 20 30 HIEDRN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1 ZINC000432989616 859465749 /nfs/dbraw/zinc/46/57/49/859465749.db2.gz SJCBPTYGWDXVGE-UHFFFAOYSA-N 0 0 415.515 4.286 20 30 HIEDRN O=C(Nc1ccccc1C#Cc1ccccc1)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000433006641 859473789 /nfs/dbraw/zinc/47/37/89/859473789.db2.gz QUBZUUAZXQIVGT-UHFFFAOYSA-N 0 0 419.488 4.257 20 30 HIEDRN N#CCCC[C@@H](NCc1nnc(C(=O)Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000433012683 859477562 /nfs/dbraw/zinc/47/75/62/859477562.db2.gz UQVUREMUJAYUEH-GOSISDBHSA-N 0 0 409.490 4.454 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3n[nH]c(CC)n3)cc2)cc1 ZINC000433020492 859482083 /nfs/dbraw/zinc/48/20/83/859482083.db2.gz SJEYKOVYTNUITM-UHFFFAOYSA-N 0 0 415.497 4.101 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)C2)nc1 ZINC000433036726 859493118 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CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1C ZINC000433141389 859537798 /nfs/dbraw/zinc/53/77/98/859537798.db2.gz OQKKYBHFEQDMPR-HXUWFJFHSA-N 0 0 414.531 4.313 20 30 HIEDRN C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1OCCc2sccc21 ZINC000433144343 859539028 /nfs/dbraw/zinc/53/90/28/859539028.db2.gz MBKTXWGJUQOHJF-AOMKIAJQSA-N 0 0 403.507 4.367 20 30 HIEDRN Cc1cnc(C2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)s1 ZINC000433146037 859540690 /nfs/dbraw/zinc/54/06/90/859540690.db2.gz JWXXAWXKOGTBQQ-UHFFFAOYSA-N 0 0 402.951 4.231 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000433160276 859546171 /nfs/dbraw/zinc/54/61/71/859546171.db2.gz UWNQOZKUZCAPOI-MRXNPFEDSA-N 0 0 418.526 4.252 20 30 HIEDRN C=CCNc1ncc(C(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)s1 ZINC000433220478 859574734 /nfs/dbraw/zinc/57/47/34/859574734.db2.gz MUYUOPOKXWWNOR-GFCCVEGCSA-N 0 0 414.556 4.673 20 30 HIEDRN C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000433237696 859584549 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HIEDRN C=CCOc1ccc(C(=O)N2CCC(N(CCC)C(=O)c3cccs3)CC2)cc1 ZINC000433330622 859646913 /nfs/dbraw/zinc/64/69/13/859646913.db2.gz XIKHKDGZENNNSK-UHFFFAOYSA-N 0 0 412.555 4.470 20 30 HIEDRN CCCN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000433351669 859658203 /nfs/dbraw/zinc/65/82/03/859658203.db2.gz JPURHNAPGCMHKH-HSZRJFAPSA-N 0 0 417.553 4.302 20 30 HIEDRN CC1CCN(c2nnc(SCC#Cc3ccc(F)cc3)n2Cc2ccco2)CC1 ZINC000433372316 859662729 /nfs/dbraw/zinc/66/27/29/859662729.db2.gz HBIJTVUYZYIOAG-UHFFFAOYSA-N 0 0 410.518 4.439 20 30 HIEDRN CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cccc(OCCCC#N)c1 ZINC000433378264 859665986 /nfs/dbraw/zinc/66/59/86/859665986.db2.gz YWTBFAJQBMVBET-GOSISDBHSA-N 0 0 400.276 4.328 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000433380261 859666189 /nfs/dbraw/zinc/66/61/89/859666189.db2.gz ACCQWOXADBREDH-OAQYLSRUSA-N 0 0 415.468 4.467 20 30 HIEDRN CCc1cccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000433490431 859730173 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20 30 HIEDRN COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1Cl ZINC000433861046 859940116 /nfs/dbraw/zinc/94/01/16/859940116.db2.gz XEPCSDYTRZPBJB-SJLPKXTDSA-N 0 0 404.919 4.118 20 30 HIEDRN Cc1cccc(C(NC(=O)C(=O)Nc2ccc(C#N)cc2F)c2cccc(C)c2)c1 ZINC000433875123 859946503 /nfs/dbraw/zinc/94/65/03/859946503.db2.gz OJURJDAZYKGXDG-UHFFFAOYSA-N 0 0 401.441 4.159 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2noc(-c3ccccc3F)c2C)cc1 ZINC000433894855 859955374 /nfs/dbraw/zinc/95/53/74/859955374.db2.gz FBNCSSNDIJPINU-UHFFFAOYSA-N 0 0 409.421 4.741 20 30 HIEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000433901941 859959219 /nfs/dbraw/zinc/95/92/19/859959219.db2.gz UXDJNJIXZBUYBK-HXUWFJFHSA-N 0 0 411.889 4.206 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)CCCOc1ccc(I)cc1 ZINC000433965576 860006781 /nfs/dbraw/zinc/00/67/81/860006781.db2.gz CULYYVALGZLIFZ-UHFFFAOYSA-N 0 0 424.213 4.100 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000433975927 860012469 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CC1(C)CCCN(C(=O)c2c(Cl)cccc2I)[C@H]1C#N ZINC000434018715 860043114 /nfs/dbraw/zinc/04/31/14/860043114.db2.gz RHVUKKFJMUUZQC-LBPRGKRZSA-N 0 0 402.663 4.099 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccc(Cl)c(I)c2)[C@@H]1C#N ZINC000434028789 860050068 /nfs/dbraw/zinc/05/00/68/860050068.db2.gz XTOWAYDTLUDHOD-CYBMUJFWSA-N 0 0 402.663 4.099 20 30 HIEDRN CC1(C)CCCN(C(=O)c2ccc(I)cc2Cl)[C@@H]1C#N ZINC000434031330 860052152 /nfs/dbraw/zinc/05/21/52/860052152.db2.gz MKCHUQQFSDHXEO-CYBMUJFWSA-N 0 0 402.663 4.099 20 30 HIEDRN O=C(NCCOCC(F)(F)C(F)F)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000434050614 860065187 /nfs/dbraw/zinc/06/51/87/860065187.db2.gz BBBWDLGBWWAIIZ-UHFFFAOYSA-N 0 0 421.740 4.424 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000434053300 860066861 /nfs/dbraw/zinc/06/68/61/860066861.db2.gz NXOUGNBIDNZVCR-UHFFFAOYSA-N 0 0 417.962 4.039 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccccc3NCc3cccnc3)CC2)c1 ZINC000434077762 860085889 /nfs/dbraw/zinc/08/58/89/860085889.db2.gz WQTKXKMPCBNXTM-UHFFFAOYSA-N 0 0 412.493 4.249 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)C2)n1 ZINC000434101392 860105644 /nfs/dbraw/zinc/10/56/44/860105644.db2.gz GNGKINBGGRTTPM-FGZHOGPDSA-N 0 0 402.542 4.130 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)C2)n1 ZINC000434101393 860105899 /nfs/dbraw/zinc/10/58/99/860105899.db2.gz GNGKINBGGRTTPM-VXKWHMMOSA-N 0 0 402.542 4.130 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)Cc1cc(Cl)ccc1Br ZINC000434157682 860153290 /nfs/dbraw/zinc/15/32/90/860153290.db2.gz PSFFFYORHAVXHS-UHFFFAOYSA-N 0 0 408.683 4.361 20 30 HIEDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000434184504 860175130 /nfs/dbraw/zinc/17/51/30/860175130.db2.gz UJAJBXNFVNRTBR-SFHVURJKSA-N 0 0 419.441 4.015 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000434239265 860221612 /nfs/dbraw/zinc/22/16/12/860221612.db2.gz ILNRMOOLVKLBAK-UYAOXDASSA-N 0 0 402.416 4.254 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n(C2CCOCC2)n1 ZINC000434311168 860272189 /nfs/dbraw/zinc/27/21/89/860272189.db2.gz FGPJBLWGUAWYLC-UHFFFAOYSA-N 0 0 416.481 4.246 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000434318494 860279514 /nfs/dbraw/zinc/27/95/14/860279514.db2.gz YNJOFOMXUROWOW-XLIONFOSSA-N 0 0 418.415 4.434 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)c2)c1 ZINC000434334847 860296351 /nfs/dbraw/zinc/29/63/51/860296351.db2.gz KUVMLRGQGYCASV-OAQYLSRUSA-N 0 0 422.550 4.312 20 30 HIEDRN Cn1cc(Br)cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1=O ZINC000434339164 860299723 /nfs/dbraw/zinc/29/97/23/860299723.db2.gz UFYXOSLQICMDAC-UHFFFAOYSA-N 0 0 423.270 4.015 20 30 HIEDRN Cc1cccc2nc(CNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n(C)c21 ZINC000434342362 860301289 /nfs/dbraw/zinc/30/12/89/860301289.db2.gz BIBQYSQKAXPSTJ-UHFFFAOYSA-N 0 0 410.477 4.262 20 30 HIEDRN Cc1cccc2nc(CNC(=O)c3cccc(COc4ccccc4C#N)c3)n(C)c21 ZINC000434343812 860302145 /nfs/dbraw/zinc/30/21/45/860302145.db2.gz IJWOQWMFMYRKLD-UHFFFAOYSA-N 0 0 410.477 4.262 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000434438132 860352324 /nfs/dbraw/zinc/35/23/24/860352324.db2.gz HONHZLFPDSDKQN-KRWDZBQOSA-N 0 0 401.308 4.098 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCCN(c4ccccc4)C3)CC2)cc1 ZINC000434506601 860379435 /nfs/dbraw/zinc/37/94/35/860379435.db2.gz VUGCCUPWRHZFEG-OAQYLSRUSA-N 0 0 400.526 4.274 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000434533346 860389556 /nfs/dbraw/zinc/38/95/56/860389556.db2.gz APQRZBFFVRIVQR-UHFFFAOYSA-N 0 0 403.482 4.143 20 30 HIEDRN CCC1(CC)CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000434537554 860391737 /nfs/dbraw/zinc/39/17/37/860391737.db2.gz LPGBDWZUHBPFSH-UHFFFAOYSA-N 0 0 405.498 4.412 20 30 HIEDRN N#Cc1ccc(CSCC(=O)NCc2csc(CCc3ccccc3)n2)cc1 ZINC000434559688 860401222 /nfs/dbraw/zinc/40/12/22/860401222.db2.gz XASDFOWGNQNPEI-UHFFFAOYSA-N 0 0 407.564 4.350 20 30 HIEDRN CCc1noc(C)c1NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000434601318 860421566 /nfs/dbraw/zinc/42/15/66/860421566.db2.gz FZVDMOPRSBSMSH-UHFFFAOYSA-N 0 0 424.844 4.440 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000434603421 860422343 /nfs/dbraw/zinc/42/23/43/860422343.db2.gz AZLMAFNDVJOODE-OAHLLOKOSA-N 0 0 419.312 4.164 20 30 HIEDRN CCOCC[C@H](O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000434633055 860441693 /nfs/dbraw/zinc/44/16/93/860441693.db2.gz DCIZSFBWHOTNKC-LBPRGKRZSA-N 0 0 400.422 4.420 20 30 HIEDRN O=C(CN[C@H](c1cc(F)ccc1F)C(F)F)N(Cc1ccco1)CC(F)(F)F ZINC000434684323 860459514 /nfs/dbraw/zinc/45/95/14/860459514.db2.gz IICDBPPLMBHSLN-OAHLLOKOSA-N 0 0 412.305 4.045 20 30 HIEDRN CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)oc21 ZINC000434684846 860459755 /nfs/dbraw/zinc/45/97/55/860459755.db2.gz LBICCMQZRQNJCY-AWEZNQCLSA-N 0 0 422.485 4.076 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000434684720 860459769 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4.375 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Sc2nnc(-c3cc4ccccc4o3)o2)C1=O ZINC000434833800 860512382 /nfs/dbraw/zinc/51/23/82/860512382.db2.gz MVPQUONFPGMWAH-OAHLLOKOSA-N 0 0 408.464 4.314 20 30 HIEDRN Cc1ccccc1C1(CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCCC1 ZINC000434843208 860518605 /nfs/dbraw/zinc/51/86/05/860518605.db2.gz NYEMVZIQEGRWLS-UHFFFAOYSA-N 0 0 420.557 4.380 20 30 HIEDRN C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1c(Cl)cccc1Cl ZINC000434845424 860519303 /nfs/dbraw/zinc/51/93/03/860519303.db2.gz YZDZQVHQJLEIBF-GFCCVEGCSA-N 0 0 421.328 4.280 20 30 HIEDRN CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434850838 860521696 /nfs/dbraw/zinc/52/16/96/860521696.db2.gz LXUXUKYRXHFHNG-UHFFFAOYSA-N 0 0 414.509 4.379 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434878986 860531979 /nfs/dbraw/zinc/53/19/79/860531979.db2.gz GQKNSFVKJLRLJH-CYBMUJFWSA-N 0 0 404.517 4.228 20 30 HIEDRN N#Cc1c(NC(=O)CN2CCC(OCC3CCCC3)CC2)sc2c1CCCCC2 ZINC000434896470 860542306 /nfs/dbraw/zinc/54/23/06/860542306.db2.gz OUVMWSHMMZZWMB-UHFFFAOYSA-N 0 0 415.603 4.498 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000434946920 860568809 /nfs/dbraw/zinc/56/88/09/860568809.db2.gz MUJHVHVRBCBHIF-OAHLLOKOSA-N 0 0 415.534 4.341 20 30 HIEDRN C=CCC[C@@H](NC(=O)NC1CCC(C(=O)N2CCSCC2)CC1)c1ccccc1 ZINC000434969112 860579773 /nfs/dbraw/zinc/57/97/73/860579773.db2.gz PKFMGHMAKQGACT-XVAXZDLZSA-N 0 0 415.603 4.127 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC(c3c[nH]cn3)CC2)c1C#N ZINC000434979306 860583739 /nfs/dbraw/zinc/58/37/39/860583739.db2.gz SDOARMYTMYLHNS-UHFFFAOYSA-N 0 0 408.550 4.023 20 30 HIEDRN COc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OCC(F)(F)F ZINC000434979031 860584051 /nfs/dbraw/zinc/58/40/51/860584051.db2.gz QPONGTCFSHZTQX-LJQANCHMSA-N 0 0 419.447 4.019 20 30 HIEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2csc(COc3ccccc3)n2)CC1 ZINC000434985568 860586262 /nfs/dbraw/zinc/58/62/62/860586262.db2.gz BRWHRHPGFSJRME-QFIPXVFZSA-N 0 0 404.539 4.105 20 30 HIEDRN Cc1cc(C)c(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1Br ZINC000434998682 860590998 /nfs/dbraw/zinc/59/09/98/860590998.db2.gz CDZNQSYOZGUUGQ-UHFFFAOYSA-N 0 0 417.307 4.071 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1Cl ZINC000435003124 860592427 /nfs/dbraw/zinc/59/24/27/860592427.db2.gz BLXWWYFSSGKXRJ-UHFFFAOYSA-N 0 0 402.882 4.133 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 ZINC000435009312 860595296 /nfs/dbraw/zinc/59/52/96/860595296.db2.gz RVYXHISJDKJKRW-CQSZACIVSA-N 0 0 413.543 4.436 20 30 HIEDRN COc1cc(CCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1Cl ZINC000435029597 860606619 /nfs/dbraw/zinc/60/66/19/860606619.db2.gz WIFFQTGICIYEJZ-KRWDZBQOSA-N 0 0 415.896 4.077 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000435050602 860616323 /nfs/dbraw/zinc/61/63/23/860616323.db2.gz STRUTCYYNGPUTE-UHFFFAOYSA-N 0 0 408.502 4.403 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000435058874 860620943 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417.513 4.337 20 30 HIEDRN COc1ccc(C#N)cc1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000435139705 860661083 /nfs/dbraw/zinc/66/10/83/860661083.db2.gz FBMQFKXORSEEQN-UHFFFAOYSA-N 0 0 419.554 4.426 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CO1 ZINC000435157301 860669056 /nfs/dbraw/zinc/66/90/56/860669056.db2.gz KYLLUAYCIGGMSM-LIRRHRJNSA-N 0 0 424.444 4.036 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC000435162855 860672445 /nfs/dbraw/zinc/67/24/45/860672445.db2.gz QFAFWDVVGCNMKA-QFBILLFUSA-N 0 0 424.444 4.023 20 30 HIEDRN C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435165016 860673322 /nfs/dbraw/zinc/67/33/22/860673322.db2.gz IWAJVOLGWLLPOB-SNVBAGLBSA-N 0 0 404.360 4.237 20 30 HIEDRN Cc1cccc(-c2cc(Cl)ccc2NC(=O)NCCCc2[nH]nc(N)c2C#N)c1 ZINC000435170163 860675486 /nfs/dbraw/zinc/67/54/86/860675486.db2.gz COWOLBZJAOBURM-UHFFFAOYSA-N 0 0 408.893 4.247 20 30 HIEDRN COCCOc1ccc(F)cc1N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000467755654 881567340 /nfs/dbraw/zinc/56/73/40/881567340.db2.gz CQNYVEJXXRHIQB-GOSISDBHSA-N 0 0 413.493 4.215 20 30 HIEDRN C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435174811 860678684 /nfs/dbraw/zinc/67/86/84/860678684.db2.gz WJHSSZIGHVFPFU-JTQLQIEISA-N 0 0 404.360 4.237 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1Oc1ccccc1 ZINC000435209555 860695761 /nfs/dbraw/zinc/69/57/61/860695761.db2.gz XHGQMCMUPXPAAR-LEWJYISDSA-N 0 0 415.424 4.100 20 30 HIEDRN CC1(C)CCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCS1 ZINC000435249728 860703466 /nfs/dbraw/zinc/70/34/66/860703466.db2.gz OTIQGOULORFWEB-UHFFFAOYSA-N 0 0 409.511 4.033 20 30 HIEDRN N#Cc1cccc(C2(C(=O)N3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)CC2)c1 ZINC000435253989 860705430 /nfs/dbraw/zinc/70/54/30/860705430.db2.gz NGSHOEUXHIHWNQ-DEOSSOPVSA-N 0 0 423.516 4.164 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000435320739 860734326 /nfs/dbraw/zinc/73/43/26/860734326.db2.gz 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405.267 4.350 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1ccccc1 ZINC000435750453 861030565 /nfs/dbraw/zinc/03/05/65/861030565.db2.gz BXBLGFJFGHDAIH-SFTDATJTSA-N 0 0 422.525 4.397 20 30 HIEDRN CCCCn1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1C ZINC000435750968 861031164 /nfs/dbraw/zinc/03/11/64/861031164.db2.gz PCRPPFTWTXFRFJ-CQSZACIVSA-N 0 0 409.515 4.071 20 30 HIEDRN CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C#N)c(C)c3)cc2s1 ZINC000435755421 861033990 /nfs/dbraw/zinc/03/39/90/861033990.db2.gz JJAVGSCUXGWHIH-UHFFFAOYSA-N 0 0 414.512 4.016 20 30 HIEDRN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1C#N ZINC000435758171 861037253 /nfs/dbraw/zinc/03/72/53/861037253.db2.gz FDUHDKWUMJGVPO-UHFFFAOYSA-N 0 0 406.467 4.312 20 30 HIEDRN C=CCC[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)c1ccccc1 ZINC000435758521 861037759 /nfs/dbraw/zinc/03/77/59/861037759.db2.gz GFTRXCXHBDBJFO-BJKOFHAPSA-N 0 0 423.557 4.075 20 30 HIEDRN C=CCC[C@H](NC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1 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HIEDRN CSc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1Cl ZINC000439314528 864749404 /nfs/dbraw/zinc/74/94/04/864749404.db2.gz HMLKSHNYYRXLFF-UHFFFAOYSA-N 0 0 403.891 4.298 20 30 HIEDRN CCc1cccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 ZINC000439319950 864755506 /nfs/dbraw/zinc/75/55/06/864755506.db2.gz SJJGPQYQHRXKGN-UHFFFAOYSA-N 0 0 417.440 4.416 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000439332866 864770022 /nfs/dbraw/zinc/77/00/22/864770022.db2.gz UAOIYCFBEVYNRR-ZDUSSCGKSA-N 0 0 405.376 4.197 20 30 HIEDRN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000439336055 864774512 /nfs/dbraw/zinc/77/45/12/864774512.db2.gz FUEGNEHHEXUQFO-LBPRGKRZSA-N 0 0 423.366 4.336 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1F ZINC000467929691 881803595 /nfs/dbraw/zinc/80/35/95/881803595.db2.gz LLPVPDDGKMIHRM-OAHLLOKOSA-N 0 0 421.432 4.751 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 ZINC000439355780 864799844 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N#Cc1ccccc1Oc1ccc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1F ZINC000467931173 881804634 /nfs/dbraw/zinc/80/46/34/881804634.db2.gz WEOIBAKSVNRVIF-IBGZPJMESA-N 0 0 407.405 4.708 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccccc3-n3cccn3)c2)cc1 ZINC000439390041 864815269 /nfs/dbraw/zinc/81/52/69/864815269.db2.gz URVGPPYHABLEKX-UHFFFAOYSA-N 0 0 423.432 4.113 20 30 HIEDRN COC(=O)c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c(OC(F)F)c1 ZINC000439401312 864819966 /nfs/dbraw/zinc/81/99/66/864819966.db2.gz YWEGSKZVOPVQPK-OAHLLOKOSA-N 0 0 403.385 4.241 20 30 HIEDRN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)c2)cs1 ZINC000439417901 864824586 /nfs/dbraw/zinc/82/45/86/864824586.db2.gz DPQAJBPLWBXSGQ-IBGZPJMESA-N 0 0 404.495 4.218 20 30 HIEDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439416802 864824698 /nfs/dbraw/zinc/82/46/98/864824698.db2.gz ATKXFEWXMMZKAE-INIZCTEOSA-N 0 0 419.403 4.204 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000439427058 864828291 /nfs/dbraw/zinc/82/82/91/864828291.db2.gz XETXYKQOYQSPSS-OAHLLOKOSA-N 0 0 409.795 4.459 20 30 HIEDRN Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439430225 864829166 /nfs/dbraw/zinc/82/91/66/864829166.db2.gz KZMSZMQWPKOETL-NRFANRHFSA-N 0 0 407.514 4.410 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000439440350 864832275 /nfs/dbraw/zinc/83/22/75/864832275.db2.gz OAKLPAXEBRRGMW-SFHVURJKSA-N 0 0 403.404 4.338 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1)c1ccccc1 ZINC000439442988 864832759 /nfs/dbraw/zinc/83/27/59/864832759.db2.gz VWRZOHLKXLHIRK-KRWDZBQOSA-N 0 0 408.458 4.049 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000439441242 864833148 /nfs/dbraw/zinc/83/31/48/864833148.db2.gz ROOVRGPYBUADKE-QFIPXVFZSA-N 0 0 417.465 4.096 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1ccccc1 ZINC000439448307 864834829 /nfs/dbraw/zinc/83/48/29/864834829.db2.gz GKRBGXIIPIZZIK-XMMPIXPASA-N 0 0 407.473 4.186 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439446924 864834986 /nfs/dbraw/zinc/83/49/86/864834986.db2.gz QYRXJYUIEPPAOS-FUHWJXTLSA-N 0 0 406.511 4.181 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Br)c1ccccc1 ZINC000439448395 864835230 /nfs/dbraw/zinc/83/52/30/864835230.db2.gz GTEQIWWQIAOWLD-OAHLLOKOSA-N 0 0 420.694 4.202 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439453112 864837456 /nfs/dbraw/zinc/83/74/56/864837456.db2.gz NXQIQWLNSUPTTF-FUHWJXTLSA-N 0 0 406.511 4.038 20 30 HIEDRN CC1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)c2)CC1 ZINC000439455833 864838187 /nfs/dbraw/zinc/83/81/87/864838187.db2.gz WBTXUDFIXRQSKW-QFIPXVFZSA-N 0 0 404.514 4.023 20 30 HIEDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439461174 864839965 /nfs/dbraw/zinc/83/99/65/864839965.db2.gz ZOAJHUREIYIXTK-CVDCTZTESA-N 0 0 418.541 4.474 20 30 HIEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCc1cccc(C#N)c1 ZINC000439497417 864854151 /nfs/dbraw/zinc/85/41/51/864854151.db2.gz WWHZIRPSAURHAZ-SFHVURJKSA-N 0 0 404.514 4.246 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)C1=O ZINC000439503128 864855871 /nfs/dbraw/zinc/85/58/71/864855871.db2.gz QVXRUDSAIMZJMS-JOCHJYFZSA-N 0 0 407.514 4.133 20 30 HIEDRN N#Cc1cccc(CCNC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000439506130 864856588 /nfs/dbraw/zinc/85/65/88/864856588.db2.gz ZSBXRQDKRIHNKC-UHFFFAOYSA-N 0 0 410.477 4.125 20 30 HIEDRN CCOc1ccc2nc(-c3ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc3)sc2c1 ZINC000439524655 864864221 /nfs/dbraw/zinc/86/42/21/864864221.db2.gz OOORDBMNOZONJE-AWEZNQCLSA-N 0 0 422.510 4.061 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 ZINC000439529476 864865942 /nfs/dbraw/zinc/86/59/42/864865942.db2.gz VAZXEFNNNNYZOG-UHFFFAOYSA-N 0 0 415.449 4.113 20 30 HIEDRN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SCc2ccc(C#N)cc2OC(F)F)c1C ZINC000439536140 864868562 /nfs/dbraw/zinc/86/85/62/864868562.db2.gz LEVBNOLHGZQPBO-GFCCVEGCSA-N 0 0 422.453 4.396 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c1F ZINC000439536662 864869223 /nfs/dbraw/zinc/86/92/23/864869223.db2.gz WAVAHANDWCGIFL-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)Nc1cccc(F)c1C ZINC000439541490 864870933 /nfs/dbraw/zinc/87/09/33/864870933.db2.gz MMDOVFDQNBWWSF-UHFFFAOYSA-N 0 0 417.440 4.470 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000439544068 864872728 /nfs/dbraw/zinc/87/27/28/864872728.db2.gz FTGCQTVCAHAIFW-LLVKDONJSA-N 0 0 408.936 4.003 20 30 HIEDRN C[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000439544320 864872788 /nfs/dbraw/zinc/87/27/88/864872788.db2.gz SWFIJIKBKVDZQS-INIZCTEOSA-N 0 0 420.444 4.418 20 30 HIEDRN COc1cc(NC(=O)CSCc2ccc(C#N)cc2OC(F)F)cc(OC)c1 ZINC000439545391 864873189 /nfs/dbraw/zinc/87/31/89/864873189.db2.gz UMESVRKMBHEGGR-UHFFFAOYSA-N 0 0 408.426 4.049 20 30 HIEDRN C[C@@H]1CN(Cc2ccccc2NCc2ccc(C#N)cc2OC(F)F)C[C@@H](C)O1 ZINC000439548159 864875078 /nfs/dbraw/zinc/87/50/78/864875078.db2.gz KLEDPRFDNBZCFM-HZPDHXFCSA-N 0 0 401.457 4.381 20 30 HIEDRN CCCS(=O)(=O)Nc1cccc(NCc2ccc(C#N)cc2OC(F)F)c1C ZINC000439547501 864875200 /nfs/dbraw/zinc/87/52/00/864875200.db2.gz HMBVXQPGMGQALH-UHFFFAOYSA-N 0 0 409.458 4.232 20 30 HIEDRN COc1ccc(C(=O)N2CCCC2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000439548127 864875261 /nfs/dbraw/zinc/87/52/61/864875261.db2.gz IDCCTOMIPZFSKK-UHFFFAOYSA-N 0 0 401.413 4.016 20 30 HIEDRN Cc1c(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cccc1OCC(F)(F)F ZINC000439548458 864875918 /nfs/dbraw/zinc/87/59/18/864875918.db2.gz JDIJWLMOGPRJEV-UHFFFAOYSA-N 0 0 411.767 4.038 20 30 HIEDRN Cc1cc(C(=O)N2CCSCC2)ccc1NCc1ccc(C#N)cc1OC(F)F ZINC000439563966 864888374 /nfs/dbraw/zinc/88/83/74/864888374.db2.gz YCAFSEKKWWYEDG-UHFFFAOYSA-N 0 0 417.481 4.269 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)Nc2ccccc2OCc2cccc(Cl)c2)C1=O ZINC000439581946 864905316 /nfs/dbraw/zinc/90/53/16/864905316.db2.gz PYWUBHFQROJHTO-LJQANCHMSA-N 0 0 413.905 4.170 20 30 HIEDRN COc1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc1Cc1ccccc1 ZINC000439593061 864916102 /nfs/dbraw/zinc/91/61/02/864916102.db2.gz LFOKNZRFPFHBBJ-UHFFFAOYSA-N 0 0 407.514 4.013 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000439592253 864916451 /nfs/dbraw/zinc/91/64/51/864916451.db2.gz CZPDZVMZDKZYFU-UHFFFAOYSA-N 0 0 404.942 4.057 20 30 HIEDRN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000439594642 864917711 /nfs/dbraw/zinc/91/77/11/864917711.db2.gz KADHIKKMDDPYTJ-UHFFFAOYSA-N 0 0 412.559 4.292 20 30 HIEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000439612744 864935116 /nfs/dbraw/zinc/93/51/16/864935116.db2.gz JYOIJQOKRVZTHU-RBUKOAKNSA-N 0 0 410.484 4.000 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000439639779 864966650 /nfs/dbraw/zinc/96/66/50/864966650.db2.gz ACEDINQIZCAYCH-UHFFFAOYSA-N 0 0 419.485 4.204 20 30 HIEDRN Cc1nn(Cc2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000439657691 864984665 /nfs/dbraw/zinc/98/46/65/864984665.db2.gz GCYIFBMVTUBSBY-NRFANRHFSA-N 0 0 417.469 4.231 20 30 HIEDRN Cn1ccnc1Sc1ncc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1Cl ZINC000439666556 864997242 /nfs/dbraw/zinc/99/72/42/864997242.db2.gz OUPAHWKXORDSHN-QGZVFWFLSA-N 0 0 411.918 4.395 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cnn1-c1cccc(C#N)c1 ZINC000439668785 864999989 /nfs/dbraw/zinc/99/99/89/864999989.db2.gz BVRFUWBDNQHCST-UHFFFAOYSA-N 0 0 420.429 4.257 20 30 HIEDRN CCCc1c(NC(=O)N2CCc3cc(F)ccc3C2)cnn1-c1cccc(C#N)c1 ZINC000439670193 865002881 /nfs/dbraw/zinc/00/28/81/865002881.db2.gz AEGFGMZISZQTAM-UHFFFAOYSA-N 0 0 403.461 4.426 20 30 HIEDRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439672216 865004944 /nfs/dbraw/zinc/00/49/44/865004944.db2.gz JOGOOXBYQRJZON-LJQANCHMSA-N 0 0 405.527 4.083 20 30 HIEDRN CCCc1c(NC(=O)N2CCc3ccc(OC)cc3C2)cnn1-c1cccc(C#N)c1 ZINC000439673563 865006194 /nfs/dbraw/zinc/00/61/94/865006194.db2.gz VDPCRNSESQKJME-UHFFFAOYSA-N 0 0 415.497 4.295 20 30 HIEDRN CCCc1c(NC(=O)Nc2cc(F)c(OC)cc2OC)cnn1-c1cccc(C#N)c1 ZINC000439675418 865009392 /nfs/dbraw/zinc/00/93/92/865009392.db2.gz SCTBMJHBOASEFV-UHFFFAOYSA-N 0 0 423.448 4.497 20 30 HIEDRN CCCc1c(NC(=O)NCC2([C@@H](C)CCO)CCC2)cnn1-c1cccc(C#N)c1 ZINC000439676175 865011011 /nfs/dbraw/zinc/01/10/11/865011011.db2.gz WDQQTUHMHRXBLV-KRWDZBQOSA-N 0 0 409.534 4.007 20 30 HIEDRN CCOc1ccc(-c2noc(CCC(=O)N[C@@H](CCC#N)c3ccccc3)n2)cc1 ZINC000439677979 865012347 /nfs/dbraw/zinc/01/23/47/865012347.db2.gz LJMROTNPFNGDRJ-FQEVSTJZSA-N 0 0 404.470 4.229 20 30 HIEDRN CCCc1c(NC(=O)N[C@H]2C[C@H](OCC)C23CCC3)cnn1-c1cccc(C#N)c1 ZINC000439678844 865013725 /nfs/dbraw/zinc/01/37/25/865013725.db2.gz RFZTYNSWOBAKON-SFTDATJTSA-N 0 0 407.518 4.166 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](CC)c2c(C)nn(C)c2C)cnn1-c1cccc(C#N)c1 ZINC000439679224 865015114 /nfs/dbraw/zinc/01/51/14/865015114.db2.gz GPNWIDBVDWUXBM-LJQANCHMSA-N 0 0 419.533 4.320 20 30 HIEDRN Cc1cc(N2CCC(NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)CC2)n[nH]1 ZINC000439683835 865019037 /nfs/dbraw/zinc/01/90/37/865019037.db2.gz JCOOUTMXBJJFEQ-UHFFFAOYSA-N 0 0 416.485 4.173 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](CCOC)c2ccco2)cnn1-c1cccc(C#N)c1 ZINC000439684709 865019832 /nfs/dbraw/zinc/01/98/32/865019832.db2.gz BZEYWUPAQOSOCT-GOSISDBHSA-N 0 0 407.474 4.189 20 30 HIEDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000439685824 865021143 /nfs/dbraw/zinc/02/11/43/865021143.db2.gz GWIKPLNMAZQNGC-JTHBVZDNSA-N 0 0 416.525 4.439 20 30 HIEDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000439685822 865021800 /nfs/dbraw/zinc/02/18/00/865021800.db2.gz GWIKPLNMAZQNGC-GGAORHGYSA-N 0 0 416.525 4.439 20 30 HIEDRN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000439686629 865022822 /nfs/dbraw/zinc/02/28/22/865022822.db2.gz ZOOCFAWLOPVFNL-UHFFFAOYSA-N 0 0 404.514 4.449 20 30 HIEDRN CCCc1c(NC(=O)N(C)CC2(O)CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439687627 865024209 /nfs/dbraw/zinc/02/42/09/865024209.db2.gz NJRQISDBFHECKB-UHFFFAOYSA-N 0 0 409.534 4.245 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](CCCO)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439689855 865026761 /nfs/dbraw/zinc/02/67/61/865026761.db2.gz DGTOCKHRAGCJDE-OAQYLSRUSA-N 0 0 417.513 4.332 20 30 HIEDRN CCCc1c(NC(=O)N(C[C@@H](C)O)C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439698523 865035193 /nfs/dbraw/zinc/03/51/93/865035193.db2.gz XPKKGFVRABZJSC-QGZVFWFLSA-N 0 0 409.534 4.244 20 30 HIEDRN CCCc1c(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cnn1-c1cccc(C#N)c1 ZINC000439702204 865039417 /nfs/dbraw/zinc/03/94/17/865039417.db2.gz MYYNNTUWDBCMDK-FQEVSTJZSA-N 0 0 403.490 4.179 20 30 HIEDRN CCCc1c(NC(=O)NC[C@@H](C)c2ncc(C)s2)cnn1-c1cccc(C#N)c1 ZINC000439702403 865039891 /nfs/dbraw/zinc/03/98/91/865039891.db2.gz NPAKBLGREALXFY-CQSZACIVSA-N 0 0 408.531 4.387 20 30 HIEDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCCSCc1ccccc1C#N ZINC000439707430 865045017 /nfs/dbraw/zinc/04/50/17/865045017.db2.gz QHFIZORDDYDUSF-QHCPKHFHSA-N 0 0 411.571 4.164 20 30 HIEDRN CN(C)c1cc(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)c2ccccc2n1 ZINC000439719001 865055165 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20 30 HIEDRN C=CCC[C@H](NC(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)c1ccccc1 ZINC000439882022 865194193 /nfs/dbraw/zinc/19/41/93/865194193.db2.gz ZDAKZOUXEVSGDM-FCHUYYIVSA-N 0 0 407.514 4.434 20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)cc1 ZINC000439954235 865247982 /nfs/dbraw/zinc/24/79/82/865247982.db2.gz RCOXSBHYTVCFJV-UHFFFAOYSA-N 0 0 407.276 4.354 20 30 HIEDRN N#Cc1ccc(CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)C2CC2)cc1 ZINC000440003535 865306696 /nfs/dbraw/zinc/30/66/96/865306696.db2.gz RXQGHDZAEBBIFS-UHFFFAOYSA-N 0 0 406.244 4.134 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440010060 865308676 /nfs/dbraw/zinc/30/86/76/865308676.db2.gz NSDAROWANSHZPK-RUZDIDTESA-N 0 0 403.526 4.105 20 30 HIEDRN CCOc1ccc(C(=O)N[C@H](C(=O)N[C@@H](CCC#N)c2ccccc2)C(C)C)cc1 ZINC000440033464 865316951 /nfs/dbraw/zinc/31/69/51/865316951.db2.gz CRAPJRPHOJGULO-VXKWHMMOSA-N 0 0 407.514 4.001 20 30 HIEDRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440038912 865319805 /nfs/dbraw/zinc/31/98/05/865319805.db2.gz QVZNLSZSJAEPCL-GMAHTHKFSA-N 0 0 416.525 4.012 20 30 HIEDRN CCCc1c(NC(=O)[C@@H](C)N2CCc3ccccc3C2)cnn1-c1cccc(C#N)c1 ZINC000440068458 865336986 /nfs/dbraw/zinc/33/69/86/865336986.db2.gz HGKQVXRXNCFFSJ-GOSISDBHSA-N 0 0 413.525 4.082 20 30 HIEDRN CCCc1c(NC(=O)Cc2c[nH]c3cc(F)ccc23)cnn1-c1cccc(C#N)c1 ZINC000440068159 865337191 /nfs/dbraw/zinc/33/71/91/865337191.db2.gz GHISCMGTCVWBKD-UHFFFAOYSA-N 0 0 401.445 4.498 20 30 HIEDRN CCCc1c(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440071162 865337719 /nfs/dbraw/zinc/33/77/19/865337719.db2.gz AGNWYJUYTCRNHF-BXKMTCNYSA-N 0 0 402.498 4.190 20 30 HIEDRN CCCc1c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cnn1-c1cccc(C#N)c1 ZINC000440072079 865338888 /nfs/dbraw/zinc/33/88/88/865338888.db2.gz BMUJXVKIDVDSRI-UHFFFAOYSA-N 0 0 413.481 4.297 20 30 HIEDRN CCCc1c(NC(=O)COC/C=C\c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440076029 865341464 /nfs/dbraw/zinc/34/14/64/865341464.db2.gz JPDVMZCBSXNDOC-GHXNOFRVSA-N 0 0 400.482 4.365 20 30 HIEDRN CCCc1c(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cnn1-c1cccc(C#N)c1 ZINC000440078391 865342551 /nfs/dbraw/zinc/34/25/51/865342551.db2.gz LZCNSOGRNYLRRQ-AWEZNQCLSA-N 0 0 410.424 4.381 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000440077024 865342805 /nfs/dbraw/zinc/34/28/05/865342805.db2.gz JXOBPTKEOYZUHA-WOJBJXKFSA-N 0 0 418.545 4.169 20 30 HIEDRN CCCc1c(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)cnn1-c1cccc(C#N)c1 ZINC000440080290 865343846 /nfs/dbraw/zinc/34/38/46/865343846.db2.gz ZDDBSJCJFHGMKD-UHFFFAOYSA-N 0 0 415.428 4.342 20 30 HIEDRN CCCc1c(NC(=O)c2cnn(-c3ccccc3)c2C)cnn1-c1cccc(C#N)c1 ZINC000440080286 865344910 /nfs/dbraw/zinc/34/49/10/865344910.db2.gz QDJOTRGVXAXIHK-UHFFFAOYSA-N 0 0 410.481 4.443 20 30 HIEDRN CC(C)[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1nc(-c2ccncc2)no1 ZINC000440084390 865347682 /nfs/dbraw/zinc/34/76/82/865347682.db2.gz ZXRYZHPHIUGMCX-MOPGFXCFSA-N 0 0 404.474 4.173 20 30 HIEDRN CCCc1c(NC(=O)c2cccc([C@@H]3CCOC3)c2)cnn1-c1cccc(C#N)c1 ZINC000440086075 865348229 /nfs/dbraw/zinc/34/82/29/865348229.db2.gz FDJNVKBGCXXXEV-HXUWFJFHSA-N 0 0 400.482 4.453 20 30 HIEDRN CCCc1c(NC(=O)c2cn[nH]c2-c2ccsc2)cnn1-c1cccc(C#N)c1 ZINC000440086769 865349884 /nfs/dbraw/zinc/34/98/84/865349884.db2.gz IPRCJZDETCJDPA-UHFFFAOYSA-N 0 0 402.483 4.400 20 30 HIEDRN CCCc1c(NC(=O)CSc2nc3ccccc3[nH]2)cnn1-c1cccc(C#N)c1 ZINC000440092692 865354651 /nfs/dbraw/zinc/35/46/51/865354651.db2.gz FDGQYDUAPOBGFD-UHFFFAOYSA-N 0 0 416.510 4.304 20 30 HIEDRN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000440093930 865355852 /nfs/dbraw/zinc/35/58/52/865355852.db2.gz CVNXVLISQPASMB-IEBWSBKVSA-N 0 0 407.539 4.426 20 30 HIEDRN CCCc1c(NC(=O)C[C@@H]2COc3cc(OC)ccc32)cnn1-c1cccc(C#N)c1 ZINC000440104181 865361805 /nfs/dbraw/zinc/36/18/05/865361805.db2.gz WZBDGBBGRPCPRX-QGZVFWFLSA-N 0 0 416.481 4.210 20 30 HIEDRN CC(C)c1nnc2n1CCN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)[C@H]2C ZINC000440147739 865381131 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20 30 HIEDRN C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000440277342 865525601 /nfs/dbraw/zinc/52/56/01/865525601.db2.gz OVLXLKPIMPIJDG-OAHLLOKOSA-N 0 0 424.888 4.485 20 30 HIEDRN N#CCCCCNC(=O)Nc1ccc(F)cc1-c1nc(CCOc2ccccc2)no1 ZINC000440304225 865562547 /nfs/dbraw/zinc/56/25/47/865562547.db2.gz OPIDTOWDRSXLSP-UHFFFAOYSA-N 0 0 423.448 4.313 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000440333857 865611681 /nfs/dbraw/zinc/61/16/81/865611681.db2.gz SVNZZCMANGFSOU-UHFFFAOYSA-N 0 0 416.437 4.110 20 30 HIEDRN CCSc1cccc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000440354606 865631857 /nfs/dbraw/zinc/63/18/57/865631857.db2.gz FRVWOPYBZUTEAM-UHFFFAOYSA-N 0 0 401.491 4.171 20 30 HIEDRN COc1ccc2occ(C(=O)Nc3c(C#N)c(SC)nn3-c3ccccc3)c2c1 ZINC000440426807 865728345 /nfs/dbraw/zinc/72/83/45/865728345.db2.gz CGCMGXFHHZARFF-UHFFFAOYSA-N 0 0 404.451 4.473 20 30 HIEDRN N#C[C@@H]1N(CC(=O)N2c3ccccc3CCc3ccccc32)CCC[C@@]12CCCCO2 ZINC000440503063 865799430 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CCOc1ccccc1CN1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1 ZINC000440666024 865860757 /nfs/dbraw/zinc/86/07/57/865860757.db2.gz GRCSYBLVYSLNFZ-OAHLLOKOSA-N 0 0 404.436 4.081 20 30 HIEDRN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000440665570 865860774 /nfs/dbraw/zinc/86/07/74/865860774.db2.gz ABRVDTGVIPLYPH-QLJPJBMISA-N 0 0 414.225 4.009 20 30 HIEDRN C[C@H](c1cccnc1)N1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440677141 865862933 /nfs/dbraw/zinc/86/29/33/865862933.db2.gz XJILVSFOSGWOPH-OAHLLOKOSA-N 0 0 422.330 4.147 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)cc1 ZINC000440711209 865871670 /nfs/dbraw/zinc/87/16/70/865871670.db2.gz ICLOYLAXCLCSKP-UHFFFAOYSA-N 0 0 413.433 4.253 20 30 HIEDRN N#Cc1ccc(C2(C(=O)NCCCOc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000440763462 865895965 /nfs/dbraw/zinc/89/59/65/865895965.db2.gz SFYWWLRYPSFUTL-UHFFFAOYSA-N 0 0 423.822 4.242 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)c1cc(F)c(F)cc1Br ZINC000440773674 865901012 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CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000447343504 871244049 /nfs/dbraw/zinc/24/40/49/871244049.db2.gz YDVVKQIPCLZRBX-IVZQSRNASA-N 0 0 417.525 4.374 20 30 HIEDRN CCc1c(C)sc(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)c1C#N ZINC000447344408 871244978 /nfs/dbraw/zinc/24/49/78/871244978.db2.gz YDEMDAZJZJTSAK-ZDUSSCGKSA-N 0 0 418.316 4.318 20 30 HIEDRN Cc1cc(S(=O)(=O)Cc2cc(C#N)ccc2Br)nc2ccccc12 ZINC000447373203 871281078 /nfs/dbraw/zinc/28/10/78/871281078.db2.gz HAKAYWVSICBKEX-UHFFFAOYSA-N 0 0 401.285 4.151 20 30 HIEDRN Cc1cc(CSCc2nnnn2-c2ccccc2Br)ccc1C#N ZINC000447418564 871324381 /nfs/dbraw/zinc/32/43/81/871324381.db2.gz QYIJTYYWDVHMPS-UHFFFAOYSA-N 0 0 400.305 4.038 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)c1 ZINC000447428103 871333573 /nfs/dbraw/zinc/33/35/73/871333573.db2.gz MSKKHUAELPXZQF-GOSISDBHSA-N 0 0 406.404 4.308 20 30 HIEDRN CCOCCCn1c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)nc2ccccc21 ZINC000447476950 871363548 /nfs/dbraw/zinc/36/35/48/871363548.db2.gz CYPUVEUQVMJAOI-UHFFFAOYSA-N 0 0 415.453 4.242 20 30 HIEDRN Cc1ccc(C2(CNC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCC2)cc1C ZINC000447619453 871525389 /nfs/dbraw/zinc/52/53/89/871525389.db2.gz PUAQIZAIQVFIIT-UHFFFAOYSA-N 0 0 415.541 4.005 20 30 HIEDRN CCC[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000468518894 882527092 /nfs/dbraw/zinc/52/70/92/882527092.db2.gz YJEUWKVFBZXXIH-UGKGYDQZSA-N 0 0 412.484 4.226 20 30 HIEDRN C[C@@H]1CN(c2cccc3cnccc32)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000447675556 871607695 /nfs/dbraw/zinc/60/76/95/871607695.db2.gz BUQMNTSASSJCNX-MRXNPFEDSA-N 0 0 424.464 4.278 20 30 HIEDRN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCc2c(F)ccc(F)c2C1 ZINC000447686633 871619014 /nfs/dbraw/zinc/61/90/14/871619014.db2.gz RJIUHIZSWWDVHQ-UHFFFAOYSA-N 0 0 409.261 4.485 20 30 HIEDRN N#Cc1ccc(NCC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1 ZINC000447691193 871626092 /nfs/dbraw/zinc/62/60/92/871626092.db2.gz PBURYHGXNWALHK-UHFFFAOYSA-N 0 0 414.252 4.498 20 30 HIEDRN N#Cc1cccc(NCC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)c1 ZINC000447694370 871631316 /nfs/dbraw/zinc/63/13/16/871631316.db2.gz HWGKIMOHLGWXBJ-UHFFFAOYSA-N 0 0 414.252 4.498 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447717747 871659870 /nfs/dbraw/zinc/65/98/70/871659870.db2.gz WBEALJBFRPQVLL-IBGZPJMESA-N 0 0 410.367 4.127 20 30 HIEDRN O=C(c1ccn(-c2ccc(F)cc2F)n1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468523862 882537866 /nfs/dbraw/zinc/53/78/66/882537866.db2.gz NVPUAIZJRNVHLO-UHFFFAOYSA-N 0 0 401.257 4.107 20 30 HIEDRN COc1cc(Cl)c(S(=O)(=O)N(CC(C)C)c2ccc(C#N)cc2)cc1OC ZINC000447782422 871714579 /nfs/dbraw/zinc/71/45/79/871714579.db2.gz ZBYZAVVENPXACD-UHFFFAOYSA-N 0 0 408.907 4.080 20 30 HIEDRN O=S(=O)(Nc1cc(F)c(OC(F)F)cc1F)c1ccc(OC(F)F)c(F)c1 ZINC000447796514 871735009 /nfs/dbraw/zinc/73/50/09/871735009.db2.gz WHDPQHKFYYAKRQ-UHFFFAOYSA-N 0 0 419.274 4.108 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447862131 871783818 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CCCc1c(NCc2nnc(-c3ccc(C#N)cc3)o2)cnn1-c1ccc(F)cc1 ZINC000447893073 871805290 /nfs/dbraw/zinc/80/52/90/871805290.db2.gz YOQZAMSSLSDXBY-UHFFFAOYSA-N 0 0 402.433 4.498 20 30 HIEDRN N#C[C@@H]1N(C[C@H](O)COC(c2ccccc2)c2ccccc2)CCC[C@]12CCCCO2 ZINC000447903587 871809343 /nfs/dbraw/zinc/80/93/43/871809343.db2.gz HUKGGPXVFGSMNX-KYPHJKQUSA-N 0 0 420.553 4.081 20 30 HIEDRN N#C[C@@H]1N(C[C@H](O)COC(c2ccccc2)c2ccccc2)CCC[C@@]12CCCCO2 ZINC000447903586 871809828 /nfs/dbraw/zinc/80/98/28/871809828.db2.gz HUKGGPXVFGSMNX-GNKBHMEESA-N 0 0 420.553 4.081 20 30 HIEDRN CC(C)(C)C[C@H](NC(=O)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N)c1ccc(F)cc1 ZINC000447909335 871810747 /nfs/dbraw/zinc/81/07/47/871810747.db2.gz BLZBOWAGAPDCTO-IMSXRSKXSA-N 0 0 415.553 4.346 20 30 HIEDRN COc1ccc(-c2nc(CN3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cs2)cc1OC ZINC000447914536 871811952 /nfs/dbraw/zinc/81/19/52/871811952.db2.gz LEECSKIPLRPXRZ-UNMCSNQZSA-N 0 0 413.543 4.255 20 30 HIEDRN N#C[C@H]1N(CC(=O)Nc2cccc(Oc3ccccc3)c2)CCC[C@@]12CCCCO2 ZINC000447915664 871813234 /nfs/dbraw/zinc/81/32/34/871813234.db2.gz SGZBBHJPEICDES-VWNXMTODSA-N 0 0 405.498 4.345 20 30 HIEDRN CN(C(=O)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N)C(c1ccccc1)c1ccccc1 ZINC000447915518 871813536 /nfs/dbraw/zinc/81/35/36/871813536.db2.gz MZEKZJDRGJGZLQ-OZXSUGGESA-N 0 0 417.553 4.162 20 30 HIEDRN CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000448017337 871859940 /nfs/dbraw/zinc/85/99/40/871859940.db2.gz WKMCWPNBLWMNQT-IAGOWNOFSA-N 0 0 409.486 4.155 20 30 HIEDRN C=CCCCNC(=O)N[C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000448044942 871876802 /nfs/dbraw/zinc/87/68/02/871876802.db2.gz YHJWFSDXYTYTCN-OAQYLSRUSA-N 0 0 400.544 4.007 20 30 HIEDRN C=CCn1c(S[C@H]2CCCN(CC(F)(F)F)C2=O)nnc1-c1ccc(C)cc1 ZINC000448050112 871880912 /nfs/dbraw/zinc/88/09/12/871880912.db2.gz SHODEWIIYWEFRK-HNNXBMFYSA-N 0 0 410.465 4.085 20 30 HIEDRN Clc1cccc(C#CCSc2nc(CN3CCOCC3)nc3ccccc32)c1 ZINC000448100555 871945527 /nfs/dbraw/zinc/94/55/27/871945527.db2.gz FGIXKFOKPXCYBW-UHFFFAOYSA-N 0 0 409.942 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HIEDRN N#CCCCS(=O)(=O)c1ccc(-c2nc(CCn3ccc4ccccc43)no2)cc1 ZINC000460162547 872704866 /nfs/dbraw/zinc/70/48/66/872704866.db2.gz PCRJDQLNUXAXKG-UHFFFAOYSA-N 0 0 420.494 4.011 20 30 HIEDRN CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460193438 872764097 /nfs/dbraw/zinc/76/40/97/872764097.db2.gz NJHWZJXPLOASPW-QGZVFWFLSA-N 0 0 423.492 4.102 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000460221137 872806884 /nfs/dbraw/zinc/80/68/84/872806884.db2.gz JEXDQIUDQRNNSX-QFIPXVFZSA-N 0 0 417.513 4.031 20 30 HIEDRN CCn1c([C@H](C)Oc2cccc(Br)c2)nnc1N(CCC#N)CC1CC1 ZINC000460226839 872812224 /nfs/dbraw/zinc/81/22/24/872812224.db2.gz KVCAXEDOEFOMHN-AWEZNQCLSA-N 0 0 418.339 4.331 20 30 HIEDRN Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1-c1ccccc1 ZINC000460228390 872815001 /nfs/dbraw/zinc/81/50/01/872815001.db2.gz FFRFZNWWVFHAIC-SFHVURJKSA-N 0 0 412.497 4.066 20 30 HIEDRN CCn1c(-c2cc(Br)c[nH]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460229661 872816068 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873339446 /nfs/dbraw/zinc/33/94/46/873339446.db2.gz HZZVMBFTITZONK-KBAYOESNSA-N 0 0 408.502 4.108 20 30 HIEDRN CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCc2ccccc2C1 ZINC000460608296 873351814 /nfs/dbraw/zinc/35/18/14/873351814.db2.gz QWWBSMBUCKMCOZ-UHFFFAOYSA-N 0 0 401.514 4.338 20 30 HIEDRN Cc1nc([C@H]2CCCN2c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)cs1 ZINC000460637286 873378716 /nfs/dbraw/zinc/37/87/16/873378716.db2.gz HOTYAXFPZZRYKE-HXUWFJFHSA-N 0 0 422.558 4.491 20 30 HIEDRN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)CC3 ZINC000460646116 873385730 /nfs/dbraw/zinc/38/57/30/873385730.db2.gz BTOXJVWFIFYBFJ-HXUWFJFHSA-N 0 0 416.525 4.064 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000460664103 873407736 /nfs/dbraw/zinc/40/77/36/873407736.db2.gz OVQUPGCFRSDZMW-UHFFFAOYSA-N 0 0 408.502 4.205 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 ZINC000460672836 873419150 /nfs/dbraw/zinc/41/91/50/873419150.db2.gz BIHQITNKVZSJFC-CYBMUJFWSA-N 0 0 418.291 4.163 20 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/nfs/dbraw/zinc/57/80/73/873578073.db2.gz ABSCFAREALOCCI-UHFFFAOYSA-N 0 0 413.218 4.293 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000460774495 873624579 /nfs/dbraw/zinc/62/45/79/873624579.db2.gz XORFSMBHMJYYIY-DEOSSOPVSA-N 0 0 406.505 4.191 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](Cn2cncn2)C1 ZINC000460773429 873624714 /nfs/dbraw/zinc/62/47/14/873624714.db2.gz KFORDSOSMYBVIB-IBGZPJMESA-N 0 0 419.577 4.327 20 30 HIEDRN COCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCCSC1 ZINC000468622707 882743135 /nfs/dbraw/zinc/74/31/35/882743135.db2.gz VKDQDHQVPHYFEH-NRFANRHFSA-N 0 0 410.539 4.121 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC000460778914 873631590 /nfs/dbraw/zinc/63/15/90/873631590.db2.gz NYJOAVGFOGMBKL-AZUAARDMSA-N 0 0 409.582 4.043 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2ccccc2)CC1 ZINC000460780160 873633982 /nfs/dbraw/zinc/63/39/82/873633982.db2.gz GARGGURVZDJMRM-FQEVSTJZSA-N 0 0 416.529 4.276 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1ccc(C)s1 ZINC000460779568 873634700 /nfs/dbraw/zinc/63/47/00/873634700.db2.gz DEPWRROMBDRDGC-MRXNPFEDSA-N 0 0 408.531 4.213 20 30 HIEDRN COCCN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@@H]1CCCSC1 ZINC000468622708 882743748 /nfs/dbraw/zinc/74/37/48/882743748.db2.gz VKDQDHQVPHYFEH-OAQYLSRUSA-N 0 0 410.539 4.121 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@H]2c2noc(C)n2)nnc1C(F)(F)Oc1ccccc1 ZINC000460785462 873644568 /nfs/dbraw/zinc/64/45/68/873644568.db2.gz UGAGDMPDCQNGRP-INIZCTEOSA-N 0 0 416.432 4.015 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000460786014 873644673 /nfs/dbraw/zinc/64/46/73/873644673.db2.gz ICWVLSVBFJZKMO-ADKRDUOOSA-N 0 0 409.559 4.159 20 30 HIEDRN C=C(C)Cn1c(COCC)nnc1N(CC)Cc1cc(Br)ccc1F ZINC000460786298 873645108 /nfs/dbraw/zinc/64/51/08/873645108.db2.gz XNYSYHLOTIUEKA-UHFFFAOYSA-N 0 0 411.319 4.319 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000460787775 873646896 /nfs/dbraw/zinc/64/68/96/873646896.db2.gz SIDPAGANQMSTSV-IBGZPJMESA-N 0 0 403.486 4.029 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(CCOC)Cc1ccccc1 ZINC000460786606 873647031 /nfs/dbraw/zinc/64/70/31/873647031.db2.gz KNOXVZUDIAPYNI-SFTDATJTSA-N 0 0 412.578 4.426 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000460788127 873648388 /nfs/dbraw/zinc/64/83/88/873648388.db2.gz BCMXEHAOYWNDMO-UWJYYQICSA-N 0 0 410.468 4.420 20 30 HIEDRN CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C1CCCC1 ZINC000460788298 873648516 /nfs/dbraw/zinc/64/85/16/873648516.db2.gz UROKFDFYROSYGQ-QFIPXVFZSA-N 0 0 423.561 4.314 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](OC)C[C@H]1C ZINC000460788993 873650351 /nfs/dbraw/zinc/65/03/51/873650351.db2.gz DSNYNJNFCFMXSV-RHSMWYFYSA-N 0 0 405.340 4.287 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460790854 873654217 /nfs/dbraw/zinc/65/42/17/873654217.db2.gz FTVXICQAOMHGDC-UHFFFAOYSA-N 0 0 403.507 4.195 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000460793930 873660159 /nfs/dbraw/zinc/66/01/59/873660159.db2.gz MSXKBDAMYUKXQT-GOSISDBHSA-N 0 0 423.586 4.162 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCc2ccccc2C1 ZINC000460794744 873662051 /nfs/dbraw/zinc/66/20/51/873662051.db2.gz OHTPFMAWKPUCOD-UHFFFAOYSA-N 0 0 401.514 4.196 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000460795621 873663952 /nfs/dbraw/zinc/66/39/52/873663952.db2.gz ZGQGPKOYHWDFJT-UHFFFAOYSA-N 0 0 407.493 4.285 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000460794886 873664283 /nfs/dbraw/zinc/66/42/83/873664283.db2.gz PNBDLOSGJLBXCT-ZQHDKMAOSA-N 0 0 424.570 4.465 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000460796407 873665793 /nfs/dbraw/zinc/66/57/93/873665793.db2.gz RXSHKKKICIFKMK-HNNXBMFYSA-N 0 0 410.909 4.352 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000460795715 873666397 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C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCc2ccc(OC)cc2C1 ZINC000460800244 873671473 /nfs/dbraw/zinc/67/14/73/873671473.db2.gz RGOCIQWTPUMISK-UHFFFAOYSA-N 0 0 420.513 4.013 20 30 HIEDRN O=C1[C@@H](SCCOCC(F)(F)C(F)F)CCN1c1ccc(C(F)(F)F)cc1 ZINC000468623961 882747367 /nfs/dbraw/zinc/74/73/67/882747367.db2.gz YWDMVSKLRNRVRH-LBPRGKRZSA-N 0 0 419.362 4.461 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000460802859 873675083 /nfs/dbraw/zinc/67/50/83/873675083.db2.gz HQFJYNLMBICBFN-CRAIPNDOSA-N 0 0 416.497 4.482 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000460802969 873676361 /nfs/dbraw/zinc/67/63/61/873676361.db2.gz LOBYDUSDEHNGGN-SJORKVTESA-N 0 0 400.498 4.139 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(CC1CC1)C1CCC1 ZINC000460802953 873677407 /nfs/dbraw/zinc/67/74/07/873677407.db2.gz LKFJXSRVXHHOGD-UHFFFAOYSA-N 0 0 412.534 4.316 20 30 HIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000460804441 873678543 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20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC(C)C ZINC000460855800 873756235 /nfs/dbraw/zinc/75/62/35/873756235.db2.gz LAKODUCFKLEDSL-UHFFFAOYSA-N 0 0 418.501 4.078 20 30 HIEDRN N#C[C@@H]1N(C(=O)COc2ccc3oc4ccccc4c3c2)CCC[C@@]12CCCCO2 ZINC000468628684 882756389 /nfs/dbraw/zinc/75/63/89/882756389.db2.gz BJTYLRWQHVDTFC-UPVQGACJSA-N 0 0 404.466 4.419 20 30 HIEDRN Cc1c(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cccc1N1CCNC1=O ZINC000460873468 873781717 /nfs/dbraw/zinc/78/17/17/873781717.db2.gz DIVYMFBNAPYZQY-UHFFFAOYSA-N 0 0 412.449 4.441 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000460886434 873797874 /nfs/dbraw/zinc/79/78/74/873797874.db2.gz YALOPIDHRHAEGQ-QFIPXVFZSA-N 0 0 421.545 4.105 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000460886433 873798146 /nfs/dbraw/zinc/79/81/46/873798146.db2.gz YALOPIDHRHAEGQ-JOCHJYFZSA-N 0 0 421.545 4.105 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c1 ZINC000460897361 873806845 /nfs/dbraw/zinc/80/68/45/873806845.db2.gz OJDHANIZNFAXPJ-UHFFFAOYSA-N 0 0 416.456 4.183 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO1)C1CC1 ZINC000460901468 873810823 /nfs/dbraw/zinc/81/08/23/873810823.db2.gz UDAJRLNSXSCQEP-KRWDZBQOSA-N 0 0 403.324 4.041 20 30 HIEDRN C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccc(I)cc1 ZINC000468633176 882765157 /nfs/dbraw/zinc/76/51/57/882765157.db2.gz WRQGIIPSLCHMCU-LLVKDONJSA-N 0 0 408.264 4.282 20 30 HIEDRN CCN(Cc1cccc(F)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000460908022 873815861 /nfs/dbraw/zinc/81/58/61/873815861.db2.gz XNWRFWXEYLHROW-OAQYLSRUSA-N 0 0 405.477 4.161 20 30 HIEDRN C=C(C)Cn1c(N2CCO[C@H](c3cccc(O)c3)C2)nnc1C(C)(C)c1ccccc1 ZINC000460931623 873833962 /nfs/dbraw/zinc/83/39/62/873833962.db2.gz LHLTUXORLVWKCE-QFIPXVFZSA-N 0 0 418.541 4.464 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C(C)C)CC1 ZINC000460936363 873837251 /nfs/dbraw/zinc/83/72/51/873837251.db2.gz OSHDXUNGDQGHMT-SFHVURJKSA-N 0 0 420.561 4.031 20 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873849792 /nfs/dbraw/zinc/84/97/92/873849792.db2.gz KWTSPUWJYIOQET-QGZVFWFLSA-N 0 0 401.580 4.251 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000460951123 873849829 /nfs/dbraw/zinc/84/98/29/873849829.db2.gz UTMHWLXHIYBYHF-RTWAWAEBSA-N 0 0 410.468 4.036 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC000460953229 873850523 /nfs/dbraw/zinc/85/05/23/873850523.db2.gz STHSXTNOWGSGIJ-UHFFFAOYSA-N 0 0 414.575 4.107 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCc2c(Br)cccc2C1 ZINC000460953526 873851818 /nfs/dbraw/zinc/85/18/18/873851818.db2.gz ULSSTZAQRWSPTK-KRWDZBQOSA-N 0 0 403.324 4.031 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(c2ccccc2)C1 ZINC000460955110 873852717 /nfs/dbraw/zinc/85/27/17/873852717.db2.gz XDTPYIMKUKORSL-UHFFFAOYSA-N 0 0 419.554 4.139 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2cccc(Cl)c2C)CC1 ZINC000460957274 873854452 /nfs/dbraw/zinc/85/44/52/873854452.db2.gz HWEBECVQSNFFQH-HXUWFJFHSA-N 0 0 415.969 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N#C[C@H]1N(C(=O)Cc2cc(Cl)ccc2Br)CCC[C@@]12CCCCO2 ZINC000468638178 882773749 /nfs/dbraw/zinc/77/37/49/882773749.db2.gz KZRCWXSTSODLLO-AEFFLSMTSA-N 0 0 411.727 4.099 20 30 HIEDRN CCS[C@@H]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1 ZINC000461056822 873930245 /nfs/dbraw/zinc/93/02/45/873930245.db2.gz ITFVGTFWNDPYPN-SLFFLAALSA-N 0 0 411.575 4.106 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cc3ccccc3n2CC(F)(F)F)CCC[C@]12CCCCO2 ZINC000468640981 882775209 /nfs/dbraw/zinc/77/52/09/882775209.db2.gz YDBQCFHXPQKTGF-AZUAARDMSA-N 0 0 405.420 4.271 20 30 HIEDRN CCCCOc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1OCC ZINC000468648484 882783970 /nfs/dbraw/zinc/78/39/70/882783970.db2.gz PSLGYVWUVVIASF-JTHBVZDNSA-N 0 0 400.519 4.332 20 30 HIEDRN Cc1cc(I)ccc1NC(=O)CSc1cccc(C#N)c1 ZINC000468648529 882785235 /nfs/dbraw/zinc/78/52/35/882785235.db2.gz QGDDAVYHCBLZNJ-UHFFFAOYSA-N 0 0 408.264 4.202 20 30 HIEDRN N#Cc1ccc(-c2nnc(N(Cc3cccs3)C3CC3)n2C[C@@H]2CCCO2)cc1 ZINC000461120288 874045869 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20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)ccc1NC(=O)c1cccs1 ZINC000468655202 882792397 /nfs/dbraw/zinc/79/23/97/882792397.db2.gz IGLHAUKZODWFDG-NFBKMPQASA-N 0 0 423.538 4.376 20 30 HIEDRN C=CCN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCO1)C1CC1 ZINC000461155035 874107974 /nfs/dbraw/zinc/10/79/74/874107974.db2.gz MEPXQQQIMIHYTO-BEFAXECRSA-N 0 0 402.926 4.405 20 30 HIEDRN COc1ccc([C@@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)cc1 ZINC000461157549 874114097 /nfs/dbraw/zinc/11/40/97/874114097.db2.gz JAGANVSIFRVYOK-VGOFRKELSA-N 0 0 417.513 4.202 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CC4C[C@@H]5CC3C[C@H](C4)C5)n2C[C@@H]2CCCO2)cc1 ZINC000461162874 874122434 /nfs/dbraw/zinc/12/24/34/874122434.db2.gz USYCMPTWBYANJP-IRTDRNSJSA-N 0 0 403.530 4.011 20 30 HIEDRN C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461173511 874148032 /nfs/dbraw/zinc/14/80/32/874148032.db2.gz VPAWTSBQLGLVGW-LEOXJPRUSA-N 0 0 413.525 4.378 20 30 HIEDRN C=CCN(CC=C)c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCCO1 ZINC000461178047 874158672 /nfs/dbraw/zinc/15/86/72/874158672.db2.gz DFDMQEGEACOSNK-ZDUSSCGKSA-N 0 0 409.353 4.127 20 30 HIEDRN Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)nn1C1CCCCC1 ZINC000461196849 874195196 /nfs/dbraw/zinc/19/51/96/874195196.db2.gz YKXXNDUOKUMVGE-UHFFFAOYSA-N 0 0 402.502 4.726 20 30 HIEDRN CC(C)=CCSc1ccccc1C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000461203441 874204133 /nfs/dbraw/zinc/20/41/33/874204133.db2.gz VSSBKJUMGNHVTO-UHFFFAOYSA-N 0 0 412.584 4.344 20 30 HIEDRN CCOCc1nc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)no1 ZINC000461233108 874231460 /nfs/dbraw/zinc/23/14/60/874231460.db2.gz FYUWCWLIKTYTLL-OAHLLOKOSA-N 0 0 422.510 4.261 20 30 HIEDRN CO[C@H]1CCOc2c(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cccc21 ZINC000468678383 882806366 /nfs/dbraw/zinc/80/63/66/882806366.db2.gz WDQDPUFWLYHNPD-FQEVSTJZSA-N 0 0 402.454 4.186 20 30 HIEDRN C=CCN(Cc1ccccc1F)c1nnc(CCc2ccco2)n1C[C@H]1CCCO1 ZINC000461253646 874259373 /nfs/dbraw/zinc/25/93/73/874259373.db2.gz VLIZWXSUVNGVNR-HXUWFJFHSA-N 0 0 410.493 4.167 20 30 HIEDRN Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)c2c1 ZINC000461276437 874285345 /nfs/dbraw/zinc/28/53/45/874285345.db2.gz DMIWEEMCGFEFTQ-UHFFFAOYSA-N 0 0 408.465 4.434 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)cn1 ZINC000461277756 874285857 /nfs/dbraw/zinc/28/58/57/874285857.db2.gz SASDOWYLFXMHLR-UHFFFAOYSA-N 0 0 418.309 4.318 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cn1 ZINC000461278563 874286966 /nfs/dbraw/zinc/28/69/66/874286966.db2.gz OKHKYSGMDJDVEV-UHFFFAOYSA-N 0 0 420.885 4.097 20 30 HIEDRN CC(C)=CCSc1ccccc1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000461295736 874300695 /nfs/dbraw/zinc/30/06/95/874300695.db2.gz CECMMYRSWYQGMN-UHFFFAOYSA-N 0 0 403.511 4.758 20 30 HIEDRN C=CC[C@@H]1N(c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)CCCC1(C)C ZINC000461295209 874301667 /nfs/dbraw/zinc/30/16/67/874301667.db2.gz CCELXICHCSTQKP-SFHVURJKSA-N 0 0 413.591 4.195 20 30 HIEDRN CO[C@H]1CCOc2c(NC(=O)c3ccc(COc4ccccc4C#N)o3)cccc21 ZINC000468689285 882813675 /nfs/dbraw/zinc/81/36/75/882813675.db2.gz KEXYOOUBIODDGD-FQEVSTJZSA-N 0 0 404.422 4.453 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000461299443 874304658 /nfs/dbraw/zinc/30/46/58/874304658.db2.gz HMJQDXHUYDZSDO-UHFFFAOYSA-N 0 0 413.868 5.020 20 30 HIEDRN CC[C@H]1C[C@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461304963 874311950 /nfs/dbraw/zinc/31/19/50/874311950.db2.gz CMEKJTVADWETBG-WMZOPIPTSA-N 0 0 407.543 4.463 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000461316048 874323481 /nfs/dbraw/zinc/32/34/81/874323481.db2.gz SDOJKTCOJQJRQO-DHIUTWEWSA-N 0 0 402.494 4.311 20 30 HIEDRN CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cccs1 ZINC000461321408 874330735 /nfs/dbraw/zinc/33/07/35/874330735.db2.gz JPOOQGQHFMVNMV-UHFFFAOYSA-N 0 0 420.586 4.175 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000461321786 874330987 /nfs/dbraw/zinc/33/09/87/874330987.db2.gz WKGREWVPSJRAMD-UHFFFAOYSA-N 0 0 415.497 4.340 20 30 HIEDRN C[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000461325798 874336442 /nfs/dbraw/zinc/33/64/42/874336442.db2.gz SGERAFVGOAYEOI-KRWDZBQOSA-N 0 0 407.543 4.465 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(-c3c(F)cccc3F)c2)cn1 ZINC000461326412 874337697 /nfs/dbraw/zinc/33/76/97/874337697.db2.gz XSCAMNCSEHYDTH-UHFFFAOYSA-N 0 0 401.376 4.336 20 30 HIEDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000461330221 874340247 /nfs/dbraw/zinc/34/02/47/874340247.db2.gz HSGHZZLQHDKVIX-KKSFZXQISA-N 0 0 414.502 4.126 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(COc2ccccc2F)n1C[C@@H]1CCOC1 ZINC000461360561 874362968 /nfs/dbraw/zinc/36/29/68/874362968.db2.gz CGZZFLCKEZFSFJ-FQEVSTJZSA-N 0 0 422.504 4.225 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000468703458 882821549 /nfs/dbraw/zinc/82/15/49/882821549.db2.gz VMCVXEJIVGEZGU-UHFFFAOYSA-N 0 0 402.410 4.188 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1C#N ZINC000461374044 874378906 /nfs/dbraw/zinc/37/89/06/874378906.db2.gz PZKQAFQIRGCWEW-GFCCVEGCSA-N 0 0 401.919 4.403 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCOC1 ZINC000461377277 874382856 /nfs/dbraw/zinc/38/28/56/874382856.db2.gz IQUGIMICWDMZSA-FQEVSTJZSA-N 0 0 406.505 4.237 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1C#N ZINC000461390131 874397740 /nfs/dbraw/zinc/39/77/40/874397740.db2.gz VODBPIZRDZRBIP-QGZVFWFLSA-N 0 0 407.539 4.231 20 30 HIEDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)no1 ZINC000461405941 874419718 /nfs/dbraw/zinc/41/97/18/874419718.db2.gz JVNDSWYQOLYDTG-OAHLLOKOSA-N 0 0 405.458 4.101 20 30 HIEDRN N#CCN1CCC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000461473762 874528703 /nfs/dbraw/zinc/52/87/03/874528703.db2.gz IPNSZVFRGDPHKS-KRWDZBQOSA-N 0 0 418.472 4.113 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CC[C@@H]4CCC[C@H]43)n2Cc2cccs2)cc1 ZINC000461474932 874530907 /nfs/dbraw/zinc/53/09/07/874530907.db2.gz TYGKTBGJDBTGSK-FXAWDEMLSA-N 0 0 405.527 4.217 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(COc2ccccc2F)n1Cc1cccs1 ZINC000461476640 874533968 /nfs/dbraw/zinc/53/39/68/874533968.db2.gz CTTPVNPTWHIMAG-UHFFFAOYSA-N 0 0 411.506 4.236 20 30 HIEDRN N#CCN1CCC[C@@H](CNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)C1 ZINC000461477189 874535472 /nfs/dbraw/zinc/53/54/72/874535472.db2.gz DSFYMGQZDXGTHX-SFHVURJKSA-N 0 0 418.516 4.258 20 30 HIEDRN C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccs2)[C@H]1C ZINC000461491286 874557371 /nfs/dbraw/zinc/55/73/71/874557371.db2.gz UWEUOSUVAUSZJU-SJORKVTESA-N 0 0 407.543 4.463 20 30 HIEDRN CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cccs1 ZINC000461507238 874583340 /nfs/dbraw/zinc/58/33/40/874583340.db2.gz MMGOEJMEHKOEOF-GOSISDBHSA-N 0 0 420.586 4.490 20 30 HIEDRN COc1ccccc1SCc1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccs1 ZINC000461510046 874587544 /nfs/dbraw/zinc/58/75/44/874587544.db2.gz SJSGKVFEUBNRFH-HNNXBMFYSA-N 0 0 413.572 4.427 20 30 HIEDRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccs1 ZINC000461512017 874590532 /nfs/dbraw/zinc/59/05/32/874590532.db2.gz FVZQTEDDSNKPHY-CYBMUJFWSA-N 0 0 401.923 4.455 20 30 HIEDRN CC(C)C[C@@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461522322 874605030 /nfs/dbraw/zinc/60/50/30/874605030.db2.gz WZLGKOZKCWGPFW-RTWAWAEBSA-N 0 0 423.561 4.170 20 30 HIEDRN CC(C)C[C@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461522321 874605123 /nfs/dbraw/zinc/60/51/23/874605123.db2.gz WZLGKOZKCWGPFW-NHCUHLMSSA-N 0 0 423.561 4.170 20 30 HIEDRN CC(C)C[C@@H]1CCCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461522323 874605157 /nfs/dbraw/zinc/60/51/57/874605157.db2.gz WZLGKOZKCWGPFW-SFTDATJTSA-N 0 0 423.561 4.170 20 30 HIEDRN Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(-c4cccc(C#N)c4)no3)n2)ccc1F ZINC000468757970 882845841 /nfs/dbraw/zinc/84/58/41/882845841.db2.gz AFIUQJOIBWLLPB-ZDUSSCGKSA-N 0 0 417.400 4.202 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)n1C[C@@H]1CCOC1 ZINC000461533187 874619694 /nfs/dbraw/zinc/61/96/94/874619694.db2.gz MLKAQZVVWOEXOH-IBGZPJMESA-N 0 0 419.485 4.082 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NCc3cnn(-c4ccc(F)cc4)c3)ccc21 ZINC000468763277 882848512 /nfs/dbraw/zinc/84/85/12/882848512.db2.gz ASWPIQAMSIIAQA-UHFFFAOYSA-N 0 0 403.461 4.206 20 30 HIEDRN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCOC2)cc1 ZINC000461560009 874652149 /nfs/dbraw/zinc/65/21/49/874652149.db2.gz CVBONXQKHIQPAJ-RBUKOAKNSA-N 0 0 411.550 4.145 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCOC1 ZINC000461561455 874655158 /nfs/dbraw/zinc/65/51/58/874655158.db2.gz STOWLGVURFXFLB-OFNKIYASSA-N 0 0 416.525 4.183 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CSCc3ccc(C#N)cc3)cc2)n1 ZINC000461575634 874679271 /nfs/dbraw/zinc/67/92/71/874679271.db2.gz JRYIVELRFCJADH-GOSISDBHSA-N 0 0 404.539 4.471 20 30 HIEDRN C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468771910 882852970 /nfs/dbraw/zinc/85/29/70/882852970.db2.gz ASMBMULQKOWRFK-CYBMUJFWSA-N 0 0 410.271 4.337 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000468771441 882853281 /nfs/dbraw/zinc/85/32/81/882853281.db2.gz ASUOTONACBBSSB-FCHUYYIVSA-N 0 0 400.482 4.657 20 30 HIEDRN C=CCN(c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CCOC1)C1CC1 ZINC000461595164 874718387 /nfs/dbraw/zinc/71/83/87/874718387.db2.gz HSBLGGOKCPQRDR-HNNXBMFYSA-N 0 0 404.967 4.415 20 30 HIEDRN C=CCN(CC=C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CCOC1 ZINC000461598268 874726002 /nfs/dbraw/zinc/72/60/02/874726002.db2.gz GDCBOEHWMRJSNU-MRXNPFEDSA-N 0 0 404.967 4.439 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2C[C@@H]2CCOC2)cc1 ZINC000461603061 874735975 /nfs/dbraw/zinc/73/59/75/874735975.db2.gz MZGVAPLZZAUWES-GMAHTHKFSA-N 0 0 413.525 4.065 20 30 HIEDRN C[C@@H](c1ccccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461605292 874740159 /nfs/dbraw/zinc/74/01/59/874740159.db2.gz ROJSVCZEOWXCCW-WMZOPIPTSA-N 0 0 405.477 4.190 20 30 HIEDRN C[C@H](c1ccccc1F)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461605289 874740508 /nfs/dbraw/zinc/74/05/08/874740508.db2.gz ROJSVCZEOWXCCW-AEFFLSMTSA-N 0 0 405.477 4.190 20 30 HIEDRN COc1ccc([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)cc1 ZINC000461605581 874741838 /nfs/dbraw/zinc/74/18/38/874741838.db2.gz SBHRWNVCIFOYQB-HKUYNNGSSA-N 0 0 417.513 4.059 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 ZINC000461607039 874744862 /nfs/dbraw/zinc/74/48/62/874744862.db2.gz HSKGBBMVLPXLBK-QFIPXVFZSA-N 0 0 413.525 4.436 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC=C(c4ccccc4)C3)n2C[C@H]2CCOC2)cc1 ZINC000461608434 874747908 /nfs/dbraw/zinc/74/79/08/874747908.db2.gz YAEQDUMAVYYTBK-HXUWFJFHSA-N 0 0 411.509 4.147 20 30 HIEDRN Cc1nc(C)c([C@H](C)N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)s1 ZINC000461613535 874757508 /nfs/dbraw/zinc/75/75/08/874757508.db2.gz HYVZUNWWMIYZHO-YJBOKZPZSA-N 0 0 422.558 4.124 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000461638128 874795504 /nfs/dbraw/zinc/79/55/04/874795504.db2.gz XPMIJZDUZLZUIS-HXUWFJFHSA-N 0 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ZINC000461699404 874849915 /nfs/dbraw/zinc/84/99/15/874849915.db2.gz OHUMQOGVJJYRIX-ZDUSSCGKSA-N 0 0 421.314 4.038 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000461708383 874857813 /nfs/dbraw/zinc/85/78/13/874857813.db2.gz WLDYBJFSFZFIFJ-UHFFFAOYSA-N 0 0 406.467 4.485 20 30 HIEDRN Cc1nc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(Cl)cc1C#N ZINC000461720321 874869468 /nfs/dbraw/zinc/86/94/68/874869468.db2.gz UDDGGEVUMNHDGZ-GFCCVEGCSA-N 0 0 420.826 4.361 20 30 HIEDRN N#Cc1ccc(OC2CN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)C2)cc1 ZINC000461724838 874871354 /nfs/dbraw/zinc/87/13/54/874871354.db2.gz GHPNXFMNTLPVHK-UHFFFAOYSA-N 0 0 407.857 4.089 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000461732495 874878518 /nfs/dbraw/zinc/87/85/18/874878518.db2.gz ZFVLKYAVXSLMEB-UHFFFAOYSA-N 0 0 409.449 4.202 20 30 HIEDRN CCCCc1ccc(C(=O)CCC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 ZINC000461743125 874886280 /nfs/dbraw/zinc/88/62/80/874886280.db2.gz RCVSPQRONPXUMH-UHFFFAOYSA-N 0 0 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HIEDRN Cc1ccc(C)c(OCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000469951077 884151185 /nfs/dbraw/zinc/15/11/85/884151185.db2.gz UUGPIVZRCLNHKK-UHFFFAOYSA-N 0 0 405.498 4.294 20 30 HIEDRN CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000469953568 884155368 /nfs/dbraw/zinc/15/53/68/884155368.db2.gz PWMHPUXQIZDRCH-UHFFFAOYSA-N 0 0 424.888 4.134 20 30 HIEDRN CSc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469954024 884155498 /nfs/dbraw/zinc/15/54/98/884155498.db2.gz RQQOOMXWLRZVFH-MRXNPFEDSA-N 0 0 423.538 4.397 20 30 HIEDRN Cc1cc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1Cl ZINC000469970798 884181062 /nfs/dbraw/zinc/18/10/62/884181062.db2.gz DCOJVMSRSYLLDQ-UHFFFAOYSA-N 0 0 411.889 4.249 20 30 HIEDRN CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[C@@H]1c1ccccc1 ZINC000470004024 884220111 /nfs/dbraw/zinc/22/01/11/884220111.db2.gz OQCQIUAEXIJLBQ-CVDCTZTESA-N 0 0 424.566 4.420 20 30 HIEDRN Cc1oc(NC(=O)CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C ZINC000470020278 884237142 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914590727 /nfs/dbraw/zinc/59/07/27/914590727.db2.gz RHMRSJUPYTYTTF-CQSZACIVSA-N 0 0 406.389 4.131 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000487145421 902074474 /nfs/dbraw/zinc/07/44/74/902074474.db2.gz KYKXRWWDRDUFFW-CQSZACIVSA-N 0 0 407.276 4.082 20 30 HIEDRN CCCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](CC)c1ccccc1 ZINC000487167347 902082869 /nfs/dbraw/zinc/08/28/69/902082869.db2.gz ZTHFMVSFDYGODD-PKTZIBPZSA-N 0 0 418.541 4.232 20 30 HIEDRN COCCOc1ccc(Cl)cc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505939816 914592524 /nfs/dbraw/zinc/59/25/24/914592524.db2.gz YTJYJXBVWADQAV-MRXNPFEDSA-N 0 0 412.795 4.379 20 30 HIEDRN COc1cc(CCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000505942221 914594110 /nfs/dbraw/zinc/59/41/10/914594110.db2.gz HFPZYASQAIVRAX-MRXNPFEDSA-N 0 0 423.296 4.333 20 30 HIEDRN COc1cccc(CN(C)C(=O)CNc2ccccc2S[C@H](C)CC#N)c1OC ZINC000487368987 902164746 /nfs/dbraw/zinc/16/47/46/902164746.db2.gz CFMBITDOGUOZNB-MRXNPFEDSA-N 0 0 413.543 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C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000487852854 902407146 /nfs/dbraw/zinc/40/71/46/902407146.db2.gz HPGVKWGCWMFLSH-CYBMUJFWSA-N 0 0 410.275 4.389 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)cc1Br ZINC000487870965 902416359 /nfs/dbraw/zinc/41/63/59/902416359.db2.gz BDEKCDTVLXGHTF-KSSFIOAISA-N 0 0 418.266 4.359 20 30 HIEDRN COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487871794 902418405 /nfs/dbraw/zinc/41/84/05/902418405.db2.gz CPZZUDJXRILRBJ-AWEZNQCLSA-N 0 0 400.276 4.351 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000505964734 914623811 /nfs/dbraw/zinc/62/38/11/914623811.db2.gz FBBKWUHOIKITMU-INIZCTEOSA-N 0 0 405.241 4.471 20 30 HIEDRN COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487927497 902457902 /nfs/dbraw/zinc/45/79/02/902457902.db2.gz ZPWZWLAJDFAJCO-ZDUSSCGKSA-N 0 0 402.292 4.424 20 30 HIEDRN N#CCC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccccc1 ZINC000487935138 902463622 /nfs/dbraw/zinc/46/36/22/902463622.db2.gz MKALUQSKNZNYGP-OXJNMPFZSA-N 0 0 400.885 4.402 20 30 HIEDRN CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1c(F)cccc1F ZINC000487937473 902467333 /nfs/dbraw/zinc/46/73/33/902467333.db2.gz YPJXTMXHQBZZKM-INIZCTEOSA-N 0 0 423.261 4.023 20 30 HIEDRN N#C[C@@H](NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2)C1CC1 ZINC000505967102 914627538 /nfs/dbraw/zinc/62/75/38/914627538.db2.gz ZXGIOJYOMUUAFV-DGJFXRHUSA-N 0 0 423.472 4.482 20 30 HIEDRN CCC[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1nnc2ccccn21 ZINC000487954071 902479907 /nfs/dbraw/zinc/47/99/07/902479907.db2.gz JOVVTMXNOODTQG-OAHLLOKOSA-N 0 0 413.279 4.026 20 30 HIEDRN COc1ccc(CCCNC(=O)Nc2ccc(C#N)c(Br)c2)cc1OC ZINC000487967152 902492706 /nfs/dbraw/zinc/49/27/06/902492706.db2.gz KKBKFWCMDYKPFY-UHFFFAOYSA-N 0 0 418.291 4.092 20 30 HIEDRN CC(C)(C)c1csc(CCNC(=O)Nc2ccc(C#N)c(Br)c2)n1 ZINC000487968286 902494025 /nfs/dbraw/zinc/49/40/25/902494025.db2.gz MNSPXNCPQOHFKR-UHFFFAOYSA-N 0 0 407.337 4.439 20 30 HIEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487969445 902496515 /nfs/dbraw/zinc/49/65/15/902496515.db2.gz POQKOEFLMCGBDJ-UHFFFAOYSA-N 0 0 424.302 4.445 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)C2)nc1 ZINC000487984561 902505851 /nfs/dbraw/zinc/50/58/51/902505851.db2.gz ZHEWVGWHWQUBDU-GGAORHGYSA-N 0 0 416.456 4.045 20 30 HIEDRN N#Cc1ccc(NC(=O)NCc2nccn2CCc2ccccc2)cc1Br ZINC000487985828 902509840 /nfs/dbraw/zinc/50/98/40/902509840.db2.gz SCCATIBZNJFBMQ-UHFFFAOYSA-N 0 0 424.302 4.082 20 30 HIEDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000505970939 914631928 /nfs/dbraw/zinc/63/19/28/914631928.db2.gz LQKBFASDHRGJAM-PJSAGSTRSA-N 0 0 401.388 4.295 20 30 HIEDRN CCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(C#N)c(Br)c1)C2 ZINC000488005161 902525283 /nfs/dbraw/zinc/52/52/83/902525283.db2.gz ICNMJKVOTVGTGT-UHFFFAOYSA-N 0 0 400.276 4.310 20 30 HIEDRN N[C@@](C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1)(c1cccc(F)c1)C(F)(F)F ZINC000488025486 902544603 /nfs/dbraw/zinc/54/46/03/902544603.db2.gz SUGMBAOHSLBBQL-OAHLLOKOSA-N 0 0 421.272 4.341 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)c2c1 ZINC000488052036 902565288 /nfs/dbraw/zinc/56/52/88/902565288.db2.gz ROSIJOWEYBLVSX-UHFFFAOYSA-N 0 0 408.864 4.170 20 30 HIEDRN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C#N)c1ccccc1F ZINC000505978146 914640182 /nfs/dbraw/zinc/64/01/82/914640182.db2.gz ZBILIJBOISUTAL-BONVTDFDSA-N 0 0 411.658 4.390 20 30 HIEDRN Cc1cc(F)ccc1CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488095489 902600162 /nfs/dbraw/zinc/60/01/62/902600162.db2.gz WVWQDOSWURVVSE-UHFFFAOYSA-N 0 0 417.440 4.395 20 30 HIEDRN Cc1ccc(-n2ncc(C(=O)N[C@H](C#N)c3ccccc3F)c2C(F)(F)F)cc1 ZINC000505978176 914641346 /nfs/dbraw/zinc/64/13/46/914641346.db2.gz ZHUPLTGIGPKXOH-QGZVFWFLSA-N 0 0 402.351 4.333 20 30 HIEDRN Cc1ccc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1[N+](=O)[O-] ZINC000488108496 902609436 /nfs/dbraw/zinc/60/94/36/902609436.db2.gz OFQNHERHAVRMKM-HNNXBMFYSA-N 0 0 405.410 4.438 20 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902740903 /nfs/dbraw/zinc/74/09/03/902740903.db2.gz FJJODVSSKMXKMM-UHFFFAOYSA-N 0 0 400.478 4.162 20 30 HIEDRN COc1ccc([C@H](NC(=O)COc2c(C#N)cnc3ccc(C)cc32)C2CC2)cc1 ZINC000488277926 902742137 /nfs/dbraw/zinc/74/21/37/902742137.db2.gz LQVAGNDGCIWGTK-HSZRJFAPSA-N 0 0 401.466 4.070 20 30 HIEDRN COCCN(Cc1scnc1C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000488316249 902763105 /nfs/dbraw/zinc/76/31/05/902763105.db2.gz SCCVVHUQYLAYPY-AWEZNQCLSA-N 0 0 404.561 4.384 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cc2F)c1 ZINC000488335111 902771101 /nfs/dbraw/zinc/77/11/01/902771101.db2.gz NYDULYCZOMMWJM-UHFFFAOYSA-N 0 0 416.334 4.337 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488336523 902772574 /nfs/dbraw/zinc/77/25/74/902772574.db2.gz ZXEWGZFDAXFGOT-RBUKOAKNSA-N 0 0 412.877 4.272 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000488395068 902805285 /nfs/dbraw/zinc/80/52/85/902805285.db2.gz GVJYTXCKPNZREH-RBBKRZOGSA-N 0 0 408.477 4.187 20 30 HIEDRN C=CCn1cccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)c(C)s1 ZINC000488399797 902808781 /nfs/dbraw/zinc/80/87/81/902808781.db2.gz UEWPKHHVYNNREH-UHFFFAOYSA-N 0 0 400.529 4.056 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)C2)n1 ZINC000488401390 902809466 /nfs/dbraw/zinc/80/94/66/902809466.db2.gz AFYGYUWTQQZFHN-RPCJCACASA-N 0 0 420.479 4.250 20 30 HIEDRN CCN(CCc1cccs1)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000488408626 902813803 /nfs/dbraw/zinc/81/38/03/902813803.db2.gz SZSOKBNMSZHSJN-UHFFFAOYSA-N 0 0 423.498 4.138 20 30 HIEDRN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1OC(F)F ZINC000488503491 902859026 /nfs/dbraw/zinc/85/90/26/902859026.db2.gz OQVMPSNXKFDLMR-FZKQIMNGSA-N 0 0 419.859 4.265 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000488536704 902874895 /nfs/dbraw/zinc/87/48/95/902874895.db2.gz WQXPSGYZOOYPJL-KRWDZBQOSA-N 0 0 400.500 4.455 20 30 HIEDRN Cc1cc2ncn(C[C@@H](O)CSc3nc(C(F)(F)F)ccc3C#N)c2cc1C 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C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000498899958 908307065 /nfs/dbraw/zinc/30/70/65/908307065.db2.gz HEAHMIVIYLCBHY-GOSISDBHSA-N 0 0 422.533 4.287 20 30 HIEDRN N#Cc1cccc(OCCN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000498904985 908314937 /nfs/dbraw/zinc/31/49/37/908314937.db2.gz MOKBFUQSTPZYOZ-UHFFFAOYSA-N 0 0 404.341 4.104 20 30 HIEDRN N#CC1(CS(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)CCCC1 ZINC000498907338 908316601 /nfs/dbraw/zinc/31/66/01/908316601.db2.gz LQMWZXLYMGKOEC-UHFFFAOYSA-N 0 0 420.538 4.043 20 30 HIEDRN CC(C)(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1[N+](=O)[O-] ZINC000498965725 908360850 /nfs/dbraw/zinc/36/08/50/908360850.db2.gz UOEDYBPVALYMBC-UHFFFAOYSA-N 0 0 409.833 4.222 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)cc1 ZINC000512911747 921403792 /nfs/dbraw/zinc/40/37/92/921403792.db2.gz JRNNWOUNMQDDOM-LJQANCHMSA-N 0 0 419.387 4.373 20 30 HIEDRN C=CCn1c(SCCCC(=O)Nc2ccccc2C(C)=O)nnc1-c1cccnc1 ZINC000512912973 921405693 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N#Cc1cccc(OC2CCN(C(=O)c3ccc(Br)c(F)c3)CC2)c1 ZINC000517860318 926866550 /nfs/dbraw/zinc/86/65/50/926866550.db2.gz WLGVHKXUPDJBKC-UHFFFAOYSA-N 0 0 403.251 4.143 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1C#N ZINC000517859407 926866616 /nfs/dbraw/zinc/86/66/16/926866616.db2.gz CHSHINZYHJJFKA-UHFFFAOYSA-N 0 0 418.522 4.108 20 30 HIEDRN CCOc1cc2c(cc1NC(=O)N1CCC(Oc3cccc(C#N)c3)CC1)O[C@@H](C)C2 ZINC000517891038 926877679 /nfs/dbraw/zinc/87/76/79/926877679.db2.gz XIUAVJAKNZPARM-INIZCTEOSA-N 0 0 421.497 4.356 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000517897561 926881480 /nfs/dbraw/zinc/88/14/80/926881480.db2.gz OKUVUNIQXKWVGB-FQEVSTJZSA-N 0 0 420.469 4.092 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](CC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000517934547 926895175 /nfs/dbraw/zinc/89/51/75/926895175.db2.gz VQZIEDHWINLJSD-XMMPIXPASA-N 0 0 411.505 4.387 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000517962310 926906481 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HIEDRN N#Cc1cccc(CS(=O)(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)c1 ZINC000518148426 927047922 /nfs/dbraw/zinc/04/79/22/927047922.db2.gz VOXLERYZKPYBAE-UHFFFAOYSA-N 0 0 418.518 4.170 20 30 HIEDRN CCCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000518154587 927051203 /nfs/dbraw/zinc/05/12/03/927051203.db2.gz DTFKBDNDIZOBOZ-HXUWFJFHSA-N 0 0 421.497 4.097 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000518196836 927076421 /nfs/dbraw/zinc/07/64/21/927076421.db2.gz GYZHQRFQMPYYST-UHFFFAOYSA-N 0 0 409.505 4.359 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000518245508 927103794 /nfs/dbraw/zinc/10/37/94/927103794.db2.gz JBTOKMUQCIIDEP-UHFFFAOYSA-N 0 0 416.412 4.267 20 30 HIEDRN C=CCN(C(=O)c1csc(-c2cccs2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518243282 927104303 /nfs/dbraw/zinc/10/43/03/927104303.db2.gz UGJWFQLVEXYQEO-AWEZNQCLSA-N 0 0 422.539 4.237 20 30 HIEDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000518300487 927160760 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Cc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cnn1-c1ccccc1 ZINC000518392903 927238482 /nfs/dbraw/zinc/23/84/82/927238482.db2.gz WBIRSLCXDNDKPY-UHFFFAOYSA-N 0 0 400.482 4.172 20 30 HIEDRN C=C[C@@](C)(CC)c1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 ZINC000518437580 927270337 /nfs/dbraw/zinc/27/03/37/927270337.db2.gz BDDBWUNPSWNMFJ-KRWDZBQOSA-N 0 0 413.337 4.395 20 30 HIEDRN C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000518443587 927276298 /nfs/dbraw/zinc/27/62/98/927276298.db2.gz JCLMRISFDQPEPN-DLBZAZTESA-N 0 0 400.498 4.139 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)ccc1Cl ZINC000518461890 927291126 /nfs/dbraw/zinc/29/11/26/927291126.db2.gz GAWHXKLMKQUESI-GOSISDBHSA-N 0 0 406.891 4.480 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 ZINC000518522840 927325902 /nfs/dbraw/zinc/32/59/02/927325902.db2.gz RYDDOHWAPKRWSW-UHFFFAOYSA-N 0 0 413.412 4.382 20 30 HIEDRN CS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 ZINC000518555869 927344224 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927476299 /nfs/dbraw/zinc/47/62/99/927476299.db2.gz GTDRCIZWSLFOKK-KRWDZBQOSA-N 0 0 420.538 4.330 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3ccc(-c4ccccc4)[nH]3)C2)c(F)c1 ZINC000518818661 927514394 /nfs/dbraw/zinc/51/43/94/927514394.db2.gz LZYSEIDQHUWWQE-OAQYLSRUSA-N 0 0 416.500 4.410 20 30 HIEDRN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000518841582 927542061 /nfs/dbraw/zinc/54/20/61/927542061.db2.gz UWVOFWXZTSXHQH-WMLDXEAASA-N 0 0 415.538 4.142 20 30 HIEDRN COc1ccc(-c2ccc(C)c(NC(=O)NCc3ccc(C#N)c(OC)c3)c2)cn1 ZINC000518844257 927546466 /nfs/dbraw/zinc/54/64/66/927546466.db2.gz WXNOKZQBJUBBHK-UHFFFAOYSA-N 0 0 402.454 4.268 20 30 HIEDRN Cc1cc(C)n2ncc(-c3noc(/C=C/c4cn(CCC#N)c5ccccc45)n3)c2n1 ZINC000518875209 927584017 /nfs/dbraw/zinc/58/40/17/927584017.db2.gz NCYAMSGNHBSCDH-CMDGGOBGSA-N 0 0 409.453 4.435 20 30 HIEDRN CCOC(=O)C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(F)cc1 ZINC000518894123 927604706 /nfs/dbraw/zinc/60/47/06/927604706.db2.gz 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ZINC000521800497 929458871 /nfs/dbraw/zinc/45/88/71/929458871.db2.gz KXYLYCOKKHYXBQ-QGZVFWFLSA-N 0 0 400.486 4.150 20 30 HIEDRN C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000521801449 929463194 /nfs/dbraw/zinc/46/31/94/929463194.db2.gz WZYJVOLPKCAMHZ-VXKWHMMOSA-N 0 0 419.525 4.432 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccnc(-n4cccn4)c3)cc2)c1 ZINC000521809357 929468259 /nfs/dbraw/zinc/46/82/59/929468259.db2.gz CFESLHGMIUTWSE-UHFFFAOYSA-N 0 0 410.437 4.253 20 30 HIEDRN CC(=O)Nc1ccc(NC(=O)NCCSCc2ccccc2C#N)c(Cl)c1 ZINC000521855739 929507070 /nfs/dbraw/zinc/50/70/70/929507070.db2.gz YJZIYJZILYYIOL-UHFFFAOYSA-N 0 0 402.907 4.225 20 30 HIEDRN C[C@H]1CN([C@@H](CNc2ccc(Cl)c(C#N)n2)c2c(F)cccc2Cl)CCO1 ZINC000521857451 929509842 /nfs/dbraw/zinc/50/98/42/929509842.db2.gz KICSDXBASBUQAI-SJCJKPOMSA-N 0 0 409.292 4.273 20 30 HIEDRN COc1ccccc1C[C@@H](C)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521860186 929511532 /nfs/dbraw/zinc/51/15/32/929511532.db2.gz BCEAONGRFBSALQ-YLJYHZDGSA-N 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4.112 20 30 HIEDRN CCCc1c(NCc2ccc(-n3cncn3)c(F)c2)cnn1-c1cccc(C#N)c1 ZINC000527368929 930650669 /nfs/dbraw/zinc/65/06/69/930650669.db2.gz QPXNSSPGOHRYNH-UHFFFAOYSA-N 0 0 401.449 4.028 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)c1 ZINC000527375784 930651791 /nfs/dbraw/zinc/65/17/91/930651791.db2.gz QEGWEVYXGJJFLS-UHFFFAOYSA-N 0 0 417.465 4.193 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000527375780 930651980 /nfs/dbraw/zinc/65/19/80/930651980.db2.gz WJOWQNDEQGDRCW-UHFFFAOYSA-N 0 0 404.470 4.021 20 30 HIEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000527479035 930665694 /nfs/dbraw/zinc/66/56/94/930665694.db2.gz QJFMXAZGTBPAIX-UHFFFAOYSA-N 0 0 419.525 4.018 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000527501335 930669933 /nfs/dbraw/zinc/66/99/33/930669933.db2.gz GXGVNPSSFJWDAC-UHFFFAOYSA-N 0 0 410.865 4.306 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3sc(C)nc3-c3ccccc3)CC2)o1 ZINC000527530788 930674360 /nfs/dbraw/zinc/67/43/60/930674360.db2.gz VJQDZWTXYBPIIG-UHFFFAOYSA-N 0 0 407.499 4.142 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3cccc(F)c3)C3CCCC3)CC2)o1 ZINC000530300250 930678773 /nfs/dbraw/zinc/67/87/73/930678773.db2.gz GBPKZWWSIHXGOI-NRFANRHFSA-N 0 0 410.493 4.258 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3C[C@@H](C(C)C)c4ccccc43)CC2)o1 ZINC000530311648 930680918 /nfs/dbraw/zinc/68/09/18/930680918.db2.gz AVCRRAJZEZGXSK-RXVVDRJESA-N 0 0 406.530 4.114 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 ZINC000530410460 930705372 /nfs/dbraw/zinc/70/53/72/930705372.db2.gz BDCDRZYPXBGEGY-CGTJXYLNSA-N 0 0 420.387 4.087 20 30 HIEDRN N#Cc1c(C#N)c(N2CCO[C@H](c3ccc(F)cc3F)C2)nc2c1CCCCCC2 ZINC000530434165 930707972 /nfs/dbraw/zinc/70/79/72/930707972.db2.gz DIJGQAVYXXLESB-QFIPXVFZSA-N 0 0 408.452 4.340 20 30 HIEDRN N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000530448372 930712293 /nfs/dbraw/zinc/71/22/93/930712293.db2.gz ZZUHTETZLGWUMK-OAHLLOKOSA-N 0 0 408.672 4.054 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)o1 ZINC000530486855 930723461 /nfs/dbraw/zinc/72/34/61/930723461.db2.gz CWNXUQMGSSSAHW-UHFFFAOYSA-N 0 0 416.481 4.289 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc(-c4ccccc4C)cs3)CC2)o1 ZINC000530521098 930737508 /nfs/dbraw/zinc/73/75/08/930737508.db2.gz KSWLZBHXIHUDLF-UHFFFAOYSA-N 0 0 407.499 4.142 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000530549867 930745188 /nfs/dbraw/zinc/74/51/88/930745188.db2.gz OCOAAPVBHOMKNF-AWEZNQCLSA-N 0 0 409.511 4.372 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000530603921 930768436 /nfs/dbraw/zinc/76/84/36/930768436.db2.gz LTCIXUJZEVRRAJ-QGZVFWFLSA-N 0 0 405.502 4.006 20 30 HIEDRN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(N4CCNC4=O)ccc3Cl)sc2C1 ZINC000530633961 930780276 /nfs/dbraw/zinc/78/02/76/930780276.db2.gz NDHXAQRZXCUPII-NSHDSACASA-N 0 0 414.918 4.180 20 30 HIEDRN N#C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000530638116 930783005 /nfs/dbraw/zinc/78/30/05/930783005.db2.gz FILQBQVWFVLOTR-LJQANCHMSA-N 0 0 400.356 4.498 20 30 HIEDRN COCCOc1ccc(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)cn1 ZINC000530643846 930784851 /nfs/dbraw/zinc/78/48/51/930784851.db2.gz GQHJTBIKSSKCQL-UHFFFAOYSA-N 0 0 419.506 4.060 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ccc(-n3cncn3)cc2)cc1 ZINC000530647408 930786047 /nfs/dbraw/zinc/78/60/47/930786047.db2.gz ZBULFEYAKMYDPQ-UHFFFAOYSA-N 0 0 413.412 4.000 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NC3(c4ccc(F)cc4)CC3)c2)cc1 ZINC000530733224 930811837 /nfs/dbraw/zinc/81/18/37/930811837.db2.gz QWVUMLUAQILLCY-UHFFFAOYSA-N 0 0 415.424 4.234 20 30 HIEDRN N#Cc1cc(F)c(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c(F)c1 ZINC000530789868 930824149 /nfs/dbraw/zinc/82/41/49/930824149.db2.gz OGYQAEKALHAJAI-UHFFFAOYSA-N 0 0 412.417 4.063 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)NC1(c2ccc(F)cc2)CCCC1)c1ccccc1 ZINC000530792283 930824595 /nfs/dbraw/zinc/82/45/95/930824595.db2.gz QQHHKCNVGBAXGN-UHFFFAOYSA-N 0 0 407.489 4.438 20 30 HIEDRN Cc1nnc(-c2cccc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c2)o1 ZINC000530812740 930829723 /nfs/dbraw/zinc/82/97/23/930829723.db2.gz KVHXLJPGQNYJMO-UHFFFAOYSA-N 0 0 402.332 4.110 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(CC)ccc1O ZINC000530827992 930833304 /nfs/dbraw/zinc/83/33/04/930833304.db2.gz ODLHRAQGZNEXDH-UHFFFAOYSA-N 0 0 419.275 4.005 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530832835 930835147 /nfs/dbraw/zinc/83/51/47/930835147.db2.gz NEITUZRBYAJPAB-PXNSSMCTSA-N 0 0 415.415 4.434 20 30 HIEDRN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000530843401 930838275 /nfs/dbraw/zinc/83/82/75/930838275.db2.gz PQHMYLOIABZGOO-FQEVSTJZSA-N 0 0 403.507 4.275 20 30 HIEDRN N#C[C@H](NC(=O)CCCOc1ccc(F)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000530877588 930846699 /nfs/dbraw/zinc/84/66/99/930846699.db2.gz LUYNZOADEBNMMB-INIZCTEOSA-N 0 0 414.330 4.403 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000530877008 930846781 /nfs/dbraw/zinc/84/67/81/930846781.db2.gz XXAZCVOBZRRQIO-AWEZNQCLSA-N 0 0 410.302 4.394 20 30 HIEDRN COC(=O)CCC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000530998256 930879866 /nfs/dbraw/zinc/87/98/66/930879866.db2.gz MWDHPTDIMRUFAI-UHFFFAOYSA-N 0 0 406.482 4.350 20 30 HIEDRN Cn1cc(C[C@H]2CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4C#N)c3)C2)cn1 ZINC000531070684 930905609 /nfs/dbraw/zinc/90/56/09/930905609.db2.gz KHABGDONGVWPMV-MRXNPFEDSA-N 0 0 420.900 4.442 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)n1-c1nccs1 ZINC000531114837 930926158 /nfs/dbraw/zinc/92/61/58/930926158.db2.gz BGRPQJNSYUOWNP-INIZCTEOSA-N 0 0 420.416 4.444 20 30 HIEDRN CC(C)OCc1ccccc1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000531203755 930963475 /nfs/dbraw/zinc/96/34/75/930963475.db2.gz GCCXDVSGMAJRQU-UHFFFAOYSA-N 0 0 404.432 4.481 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)Nc3ccc(Cl)cc3)c(C#N)c2N)cc1 ZINC000531206034 930966163 /nfs/dbraw/zinc/96/61/63/930966163.db2.gz YJZZENLCGGTPLF-UHFFFAOYSA-N 0 0 408.893 4.042 20 30 HIEDRN COc1cc(NC(=O)c2cc(C#N)cs2)ccc1NC(=O)c1cc(C#N)cs1 ZINC000531218753 930971099 /nfs/dbraw/zinc/97/10/99/930971099.db2.gz QBIDAKIHTMCSHY-UHFFFAOYSA-N 0 0 408.464 4.066 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NCc2ccc(OC)c3oc(C(=O)OC)cc32)cc1 ZINC000531380868 931038619 /nfs/dbraw/zinc/03/86/19/931038619.db2.gz MOSLUSXCOQSQQO-UHFFFAOYSA-N 0 0 409.442 4.148 20 30 HIEDRN CCc1c(NC(=O)Cc2cccc(C#N)c2)n[nH]c1-c1ccc(Br)cc1 ZINC000531392257 931042177 /nfs/dbraw/zinc/04/21/77/931042177.db2.gz BVGYGXZKWXHUFK-UHFFFAOYSA-N 0 0 409.287 4.454 20 30 HIEDRN COc1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000531448764 931061542 /nfs/dbraw/zinc/06/15/42/931061542.db2.gz QHHKAGKVJCXWMY-IAGOWNOFSA-N 0 0 417.412 4.477 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)CCC(=O)N2CCSc3ccccc32)c1 ZINC000531509203 931084230 /nfs/dbraw/zinc/08/42/30/931084230.db2.gz MNDROFMIXZIDLA-UHFFFAOYSA-N 0 0 417.437 4.017 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)CNc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000531522229 931090739 /nfs/dbraw/zinc/09/07/39/931090739.db2.gz MHMVDKYNCBUNIG-MRXNPFEDSA-N 0 0 418.969 4.165 20 30 HIEDRN COc1cccc(-c2ccc(CNC(=O)C(=O)Nc3cc(C#N)ccc3Cl)cc2)c1 ZINC000531532651 931095001 /nfs/dbraw/zinc/09/50/01/931095001.db2.gz FQHMXJIRIDJRKP-UHFFFAOYSA-N 0 0 419.868 4.142 20 30 HIEDRN CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000531532754 931095063 /nfs/dbraw/zinc/09/50/63/931095063.db2.gz NNWXFHZHZQDXOF-UHFFFAOYSA-N 0 0 418.437 4.058 20 30 HIEDRN C[C@@H](C#N)CNC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000531543591 931098713 /nfs/dbraw/zinc/09/87/13/931098713.db2.gz WVCYDYMFAYDBHO-QMMMGPOBSA-N 0 0 402.332 4.418 20 30 HIEDRN CC1CC(C#N)(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000531557769 931102328 /nfs/dbraw/zinc/10/23/28/931102328.db2.gz ZDIGUXWVTSTTAA-UHFFFAOYSA-N 0 0 406.461 4.294 20 30 HIEDRN C[C@@]1(c2ccccc2)CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCO1 ZINC000531595598 931114204 /nfs/dbraw/zinc/11/42/04/931114204.db2.gz ZPMUBYSJBGIGIL-DEOSSOPVSA-N 0 0 402.450 4.118 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@@H](CO)Cc2ccco2)c1 ZINC000531620125 931129732 /nfs/dbraw/zinc/12/97/32/931129732.db2.gz TZBAAFUYKXPZEI-HNNXBMFYSA-N 0 0 410.857 4.178 20 30 HIEDRN N#CCc1ccnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)c1 ZINC000531670198 931145054 /nfs/dbraw/zinc/14/50/54/931145054.db2.gz SDIZQBWDSOJGOR-SXLOBPIMSA-N 0 0 422.916 4.213 20 30 HIEDRN N#CCc1ccnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccc(Cl)cc2)c1 ZINC000531670197 931145220 /nfs/dbraw/zinc/14/52/20/931145220.db2.gz SDIZQBWDSOJGOR-RLLQIKCJSA-N 0 0 422.916 4.213 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)NCc3cnn(CC(F)(F)F)c3)c2)cc1 ZINC000531926944 931248406 /nfs/dbraw/zinc/24/84/06/931248406.db2.gz GCMGWKKMBICZRH-UHFFFAOYSA-N 0 0 400.360 4.039 20 30 HIEDRN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000531979106 931273698 /nfs/dbraw/zinc/27/36/98/931273698.db2.gz HDGICKNGSAEFBI-APWZRJJASA-N 0 0 408.527 4.087 20 30 HIEDRN C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1 ZINC000532018095 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939748880 /nfs/dbraw/zinc/74/88/80/939748880.db2.gz PGMBZHCCZDFHOL-GOSISDBHSA-N 0 0 404.901 4.283 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000542189169 939750441 /nfs/dbraw/zinc/75/04/41/939750441.db2.gz JDDTUXAQJFXFBS-CYBMUJFWSA-N 0 0 407.392 4.041 20 30 HIEDRN C=CCn1c2ccccc2nc1S[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000542195778 939752531 /nfs/dbraw/zinc/75/25/31/939752531.db2.gz WXIVQMLLSOOAQF-KRWDZBQOSA-N 0 0 405.445 4.430 20 30 HIEDRN COc1cc(C(=O)NCCCC#N)ccc1OCc1ccc(Br)s1 ZINC000542230660 939766108 /nfs/dbraw/zinc/76/61/08/939766108.db2.gz UIRMGPQNWVOABW-UHFFFAOYSA-N 0 0 409.305 4.132 20 30 HIEDRN C[C@H](NC(=O)CN(Cc1ccc(C#N)cc1)C1CC1)c1ccc(Br)cc1 ZINC000542247701 939772178 /nfs/dbraw/zinc/77/21/78/939772178.db2.gz VLIMUSXXFMXMFL-HNNXBMFYSA-N 0 0 412.331 4.163 20 30 HIEDRN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000542259252 939774442 /nfs/dbraw/zinc/77/44/42/939774442.db2.gz HQWAYXIHRHXYEX-MRXNPFEDSA-N 0 0 403.738 4.322 20 30 HIEDRN CCc1c(C(=O)Nc2cc(C#N)ccc2OCCOC)cnn1-c1cccc(Cl)c1 ZINC000542301805 939791286 /nfs/dbraw/zinc/79/12/86/939791286.db2.gz LQEJQJTYTPSZIW-UHFFFAOYSA-N 0 0 424.888 4.237 20 30 HIEDRN Cc1cccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1C(=O)N1CCCC1 ZINC000542364700 939808086 /nfs/dbraw/zinc/80/80/86/939808086.db2.gz QBGIZIUHYDUNTO-UHFFFAOYSA-N 0 0 402.498 4.299 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000542384160 939811795 /nfs/dbraw/zinc/81/17/95/939811795.db2.gz XTLNXXBRMJQOLI-UHFFFAOYSA-N 0 0 405.458 4.030 20 30 HIEDRN COc1ccc(Br)cc1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542408198 939816226 /nfs/dbraw/zinc/81/62/26/939816226.db2.gz LYDQCGLVLMLQJI-UHFFFAOYSA-N 0 0 414.303 4.204 20 30 HIEDRN COC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542556915 939843344 /nfs/dbraw/zinc/84/33/44/939843344.db2.gz LNDLDMAAVSROKO-PBHICJAKSA-N 0 0 401.532 4.094 20 30 HIEDRN CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(C#N)cc1 ZINC000542711578 939855962 /nfs/dbraw/zinc/85/59/62/939855962.db2.gz KTOMVTSEQIPLSD-UHFFFAOYSA-N 0 0 407.651 4.194 20 30 HIEDRN Cc1[nH]n(Cc2ccc(F)cc2)c2nnc(NC(=O)c3ccc(Cl)c(C#N)c3)c1-2 ZINC000542705756 939855629 /nfs/dbraw/zinc/85/56/29/939855629.db2.gz FVVUKONIZFQLJX-UHFFFAOYSA-N 0 0 408.824 4.033 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)n1 ZINC000542837862 939862203 /nfs/dbraw/zinc/86/22/03/939862203.db2.gz YDPGWKULCXWVRO-IBGZPJMESA-N 0 0 404.449 4.427 20 30 HIEDRN COc1ccc([C@@H](NC(=O)NC[C@H](C)C#N)c2ccccc2)cc1Br ZINC000542876545 939864840 /nfs/dbraw/zinc/86/48/40/939864840.db2.gz CBPQLTPQKAPTEW-ACJLOTCBSA-N 0 0 402.292 4.006 20 30 HIEDRN COc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1[N+](=O)[O-] ZINC000542925269 939879010 /nfs/dbraw/zinc/87/90/10/939879010.db2.gz VIELQVZEAQQKJV-UHFFFAOYSA-N 0 0 403.394 4.306 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Br)c(F)c3)n2)c(F)c1 ZINC000542928179 939879991 /nfs/dbraw/zinc/87/99/91/939879991.db2.gz RHYZMCPPVVHOQM-UHFFFAOYSA-N 0 0 403.186 4.037 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)CCCc3nc4ccccc4s3)n2)c(F)c1 ZINC000542929891 939880219 /nfs/dbraw/zinc/88/02/19/939880219.db2.gz GWNHFTZXQHIVCV-UHFFFAOYSA-N 0 0 405.458 4.454 20 30 HIEDRN Cc1nn(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000542929546 939880232 /nfs/dbraw/zinc/88/02/32/939880232.db2.gz AYGXRSQFAFOLJQ-HNNXBMFYSA-N 0 0 417.469 4.214 20 30 HIEDRN Cc1csc2ncc(C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)c(=O)n12 ZINC000542930400 939880574 /nfs/dbraw/zinc/88/05/74/939880574.db2.gz OVURUUFAVPEOLM-OAHLLOKOSA-N 0 0 414.490 4.094 20 30 HIEDRN CC(=O)N1CCC(CCC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000542930848 939880821 /nfs/dbraw/zinc/88/08/21/939880821.db2.gz VQWCNQUXVALCIA-SFHVURJKSA-N 0 0 403.526 4.441 20 30 HIEDRN C[C@H](NC(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1)c1cccc2ccccc21 ZINC000542934216 939881202 /nfs/dbraw/zinc/88/12/02/939881202.db2.gz HPRNSNFASFZLED-INIZCTEOSA-N 0 0 413.456 4.326 20 30 HIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)SCc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000542934670 939881479 /nfs/dbraw/zinc/88/14/79/939881479.db2.gz PIRBHCAIMAUKMK-OAHLLOKOSA-N 0 0 402.516 4.175 20 30 HIEDRN C[C@@H]1CCN(C(=O)CNc2ccn(-c3ccc(C#N)cc3F)n2)c2ccccc2S1 ZINC000542937621 939881980 /nfs/dbraw/zinc/88/19/80/939881980.db2.gz XQSLDMMETODQFT-OAHLLOKOSA-N 0 0 421.501 4.212 20 30 HIEDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542937624 939882121 /nfs/dbraw/zinc/88/21/21/939882121.db2.gz XVZLJMAJZRNPJU-AWEZNQCLSA-N 0 0 411.868 4.168 20 30 HIEDRN N#CCCN(C(=O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000542947843 939883984 /nfs/dbraw/zinc/88/39/84/939883984.db2.gz JMMBLOHMSYSZNB-HXUWFJFHSA-N 0 0 417.431 4.026 20 30 HIEDRN COCCc1cc(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n(C)n1 ZINC000542953444 939884910 /nfs/dbraw/zinc/88/49/10/939884910.db2.gz SOXKKQAQKDETGK-MRXNPFEDSA-N 0 0 403.486 4.030 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)n2)c(F)c1 ZINC000542958170 939885782 /nfs/dbraw/zinc/88/57/82/939885782.db2.gz BEPJIMIWCJYUPC-JOCHJYFZSA-N 0 0 412.428 4.189 20 30 HIEDRN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542958963 939886115 /nfs/dbraw/zinc/88/61/15/939886115.db2.gz QKUJGEIIEAKZHZ-YOEHRIQHSA-N 0 0 407.424 4.432 20 30 HIEDRN COc1cccc([C@H]2CCCN2C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000542959104 939886142 /nfs/dbraw/zinc/88/61/42/939886142.db2.gz NULPCLDHQOVCKG-LJQANCHMSA-N 0 0 405.433 4.261 20 30 HIEDRN C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000542959470 939886225 /nfs/dbraw/zinc/88/62/25/939886225.db2.gz XJCBJDAFPSOSPX-QHCPKHFHSA-N 0 0 403.461 4.469 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000542963135 939886970 /nfs/dbraw/zinc/88/69/70/939886970.db2.gz WRBWUJOACUBYOC-IERDGZPVSA-N 0 0 421.888 4.297 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)Cc3coc(-c4cccs4)n3)n2)c(Cl)c1 ZINC000542968186 939888218 /nfs/dbraw/zinc/88/82/18/939888218.db2.gz WWJKYAABDDEUCY-UHFFFAOYSA-N 0 0 409.858 4.295 20 30 HIEDRN Cc1c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cnn1-c1ccccc1C ZINC000542969356 939888454 /nfs/dbraw/zinc/88/84/54/939888454.db2.gz PKOCEZWSOUXYNC-UHFFFAOYSA-N 0 0 416.872 4.452 20 30 HIEDRN N#Cc1ccccc1OCC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000542969965 939888567 /nfs/dbraw/zinc/88/85/67/939888567.db2.gz HBASZWAQGUPXLA-MRXNPFEDSA-N 0 0 418.293 4.255 20 30 HIEDRN CC(C)n1ccc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 ZINC000563755180 945284495 /nfs/dbraw/zinc/28/44/95/945284495.db2.gz SHCVHWBZDAKGFC-UHFFFAOYSA-N 0 0 403.486 4.431 20 30 HIEDRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542979553 939890568 /nfs/dbraw/zinc/89/05/68/939890568.db2.gz IKDNMFWRCXTBQA-GFCCVEGCSA-N 0 0 401.253 4.457 20 30 HIEDRN CCCc1n[nH]c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1[N+](=O)[O-] ZINC000542989156 939891983 /nfs/dbraw/zinc/89/19/83/939891983.db2.gz OATIKYRMYLETQU-CQSZACIVSA-N 0 0 403.442 4.300 20 30 HIEDRN CCNC(=O)NC1(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCCC1 ZINC000542988909 939891999 /nfs/dbraw/zinc/89/19/99/939891999.db2.gz NEDDZEOFUJWVMJ-QGZVFWFLSA-N 0 0 404.514 4.034 20 30 HIEDRN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542989018 939892074 /nfs/dbraw/zinc/89/20/74/939892074.db2.gz MKUXKHHSGYUBOZ-JKSUJKDBSA-N 0 0 403.507 4.282 20 30 HIEDRN C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543012233 939895114 /nfs/dbraw/zinc/89/51/14/939895114.db2.gz VYDOTWARYRBZOK-JTSKRJEESA-N 0 0 402.498 4.481 20 30 HIEDRN CC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1Cl ZINC000543037879 939899916 /nfs/dbraw/zinc/89/99/16/939899916.db2.gz CJTQZONSOVUZIY-INIZCTEOSA-N 0 0 414.868 4.344 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000543040038 939902519 /nfs/dbraw/zinc/90/25/19/939902519.db2.gz REKYLXJFGARNLB-UHFFFAOYSA-N 0 0 418.463 4.155 20 30 HIEDRN Cn1cnnc1CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543052364 939909686 /nfs/dbraw/zinc/90/96/86/939909686.db2.gz LRAQSILHWQNQRY-NSHDSACASA-N 0 0 406.252 4.246 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Br)c1F ZINC000543067679 939919443 /nfs/dbraw/zinc/91/94/43/939919443.db2.gz AIQYTKKMPZNMFS-ZBFHGGJFSA-N 0 0 423.307 4.049 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000543116104 939954067 /nfs/dbraw/zinc/95/40/67/939954067.db2.gz BCBYUPBFPJRUDQ-LBPRGKRZSA-N 0 0 408.285 4.329 20 30 HIEDRN Cc1cn(C2CCCCC2)nc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000543134225 939963683 /nfs/dbraw/zinc/96/36/83/939963683.db2.gz DOJYEYPKXLQDDG-UHFFFAOYSA-N 0 0 407.518 4.362 20 30 HIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 ZINC000543143597 939968361 /nfs/dbraw/zinc/96/83/61/939968361.db2.gz HLJAEJICNCAAAS-UHFFFAOYSA-N 0 0 409.467 4.235 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCc1ccc(F)c(F)c1F ZINC000543199530 939992917 /nfs/dbraw/zinc/99/29/17/939992917.db2.gz HQUFENBQZWHDAG-UHFFFAOYSA-N 0 0 400.322 4.016 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 ZINC000563759462 945287619 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N#CC1(c2ccccn2)CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000554542088 942165944 /nfs/dbraw/zinc/16/59/44/942165944.db2.gz KNWYNQFXLHTLEQ-UHFFFAOYSA-N 0 0 420.900 4.407 20 30 HIEDRN COc1ccc(OCc2nc(CN3CCC(C#N)(c4ccccn4)CC3)cs2)cc1 ZINC000554558326 942167464 /nfs/dbraw/zinc/16/74/64/942167464.db2.gz MBOPAYSXQKQWAY-UHFFFAOYSA-N 0 0 420.538 4.183 20 30 HIEDRN COc1cc(CN2CCC(C#N)(c3ccccn3)CC2)ccc1OCC(F)(F)F ZINC000554559389 942168090 /nfs/dbraw/zinc/16/80/90/942168090.db2.gz UDBXYQBMNMRINE-UHFFFAOYSA-N 0 0 405.420 4.089 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000554597238 942174239 /nfs/dbraw/zinc/17/42/39/942174239.db2.gz XJWWYIZUNJICKD-QGZVFWFLSA-N 0 0 402.420 4.342 20 30 HIEDRN C=CCn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000554630941 942179730 /nfs/dbraw/zinc/17/97/30/942179730.db2.gz FQYAGBVNNQRBBG-WYEJZRMESA-N 0 0 418.541 4.447 20 30 HIEDRN C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)Cc1csc(CC)n1 ZINC000554634957 942182024 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HIEDRN CCCOc1ccc(-c2noc(-c3ccn(-c4cccc(C#N)c4)n3)n2)cc1OC ZINC000554787047 942236501 /nfs/dbraw/zinc/23/65/01/942236501.db2.gz WBGKIVXATRHYME-UHFFFAOYSA-N 0 0 401.426 4.258 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(-c3nn(-c4c(F)cccc4F)cc3C)n2)c1 ZINC000554803509 942248675 /nfs/dbraw/zinc/24/86/75/942248675.db2.gz NPZQBNOAXICOAF-UHFFFAOYSA-N 0 0 421.407 4.092 20 30 HIEDRN CO[C@@H](c1noc(C2CCN(c3oc(C)nc3C#N)CC2)n1)c1ccccc1Cl ZINC000554816185 942258104 /nfs/dbraw/zinc/25/81/04/942258104.db2.gz IFSLCUTTYNXVOL-QGZVFWFLSA-N 0 0 413.865 4.011 20 30 HIEDRN CCOC(=O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000554841975 942280419 /nfs/dbraw/zinc/28/04/19/942280419.db2.gz QJQJBQCAELUULZ-KPZWWZAWSA-N 0 0 405.267 4.415 20 30 HIEDRN COc1ccccc1[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000554874328 942303525 /nfs/dbraw/zinc/30/35/25/942303525.db2.gz JIFJFOIOQLJWNJ-OAHLLOKOSA-N 0 0 423.900 4.063 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000554903669 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COCC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 ZINC000555185591 942422129 /nfs/dbraw/zinc/42/21/29/942422129.db2.gz AJPRICMHGGCAFX-UHFFFAOYSA-N 0 0 401.514 4.118 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000555220911 942435113 /nfs/dbraw/zinc/43/51/13/942435113.db2.gz HVOYUOKZUZGPSF-HTAPYJJXSA-N 0 0 417.488 4.498 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000555240889 942442331 /nfs/dbraw/zinc/44/23/31/942442331.db2.gz WHQBCCWUFWAVMA-UHFFFAOYSA-N 0 0 424.936 4.007 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000555241964 942443082 /nfs/dbraw/zinc/44/30/82/942443082.db2.gz BLLIELJASZKHRG-UHFFFAOYSA-N 0 0 411.550 4.088 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC(c2nc(C)no2)CC1 ZINC000555248403 942445095 /nfs/dbraw/zinc/44/50/95/942445095.db2.gz UPSPSRLYVSIEFB-UHFFFAOYSA-N 0 0 412.925 4.174 20 30 HIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000555247887 942445166 /nfs/dbraw/zinc/44/51/66/942445166.db2.gz KCVLRMUCPGNWJL-GOSISDBHSA-N 0 0 404.461 4.301 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)c1nccs1 ZINC000555251019 942446861 /nfs/dbraw/zinc/44/68/61/942446861.db2.gz WFPYPTKKECRBKN-YJBOKZPZSA-N 0 0 411.531 4.063 20 30 HIEDRN C=C(C)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000555251046 942447004 /nfs/dbraw/zinc/44/70/04/942447004.db2.gz XFOKHMULOBYFEW-QGZVFWFLSA-N 0 0 405.340 4.318 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000555253059 942448080 /nfs/dbraw/zinc/44/80/80/942448080.db2.gz WKXWIPICHGHOJC-VWLOTQADSA-N 0 0 411.509 4.419 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000555255332 942448582 /nfs/dbraw/zinc/44/85/82/942448582.db2.gz HZWNGVUBLPERNR-IBGZPJMESA-N 0 0 401.599 4.108 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC2(CCCCC2)C1 ZINC000555255557 942448695 /nfs/dbraw/zinc/44/86/95/942448695.db2.gz LOMHLWUUVKPDQI-UHFFFAOYSA-N 0 0 412.534 4.078 20 30 HIEDRN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000555255686 942448714 /nfs/dbraw/zinc/44/87/14/942448714.db2.gz KMHGNMUDOPUHFG-OAHLLOKOSA-N 0 0 419.932 4.123 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000555256848 942450046 /nfs/dbraw/zinc/45/00/46/942450046.db2.gz VOBAXYRVDKDITE-UHFFFAOYSA-N 0 0 422.964 4.128 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](COCC)C1 ZINC000555260769 942451657 /nfs/dbraw/zinc/45/16/57/942451657.db2.gz JURFQZIHPSWYJJ-ZWKOTPCHSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000555263391 942452197 /nfs/dbraw/zinc/45/21/97/942452197.db2.gz KPEXKDKLHTWNLX-IAGOWNOFSA-N 0 0 416.953 4.436 20 30 HIEDRN C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000555265324 942454083 /nfs/dbraw/zinc/45/40/83/942454083.db2.gz HSQRXMAPZTWSHN-INIZCTEOSA-N 0 0 407.518 4.171 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000555265006 942454129 /nfs/dbraw/zinc/45/41/29/942454129.db2.gz FXLUYJLTIRUFRO-IFMALSPDSA-N 0 0 423.605 4.275 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000555265983 942454278 /nfs/dbraw/zinc/45/42/78/942454278.db2.gz STPUFOUMYLFYCU-KBXCAEBGSA-N 0 0 417.351 4.287 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000555265989 942454286 /nfs/dbraw/zinc/45/42/86/942454286.db2.gz STPUFOUMYLFYCU-RDTXWAMCSA-N 0 0 417.351 4.287 20 30 HIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC000555267737 942455493 /nfs/dbraw/zinc/45/54/93/942455493.db2.gz AOJOHLMOKREZGN-OAQYLSRUSA-N 0 0 419.485 4.316 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000555269472 942455770 /nfs/dbraw/zinc/45/57/70/942455770.db2.gz XYGUQCYLRSCVQI-UHFFFAOYSA-N 0 0 422.964 4.200 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000555269369 942455947 /nfs/dbraw/zinc/45/59/47/942455947.db2.gz VZAKOIZHDLJKPV-UTKZUKDTSA-N 0 0 424.570 4.482 20 30 HIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000555271022 942456873 /nfs/dbraw/zinc/45/68/73/942456873.db2.gz PRRMBDATZMXUBN-IBGZPJMESA-N 0 0 422.504 4.471 20 30 HIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000555271849 942457826 /nfs/dbraw/zinc/45/78/26/942457826.db2.gz CTZHJACZDFIYBW-MOPGFXCFSA-N 0 0 405.546 4.266 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@@H](CC(F)(F)F)C1 ZINC000555272965 942457881 /nfs/dbraw/zinc/45/78/81/942457881.db2.gz OEPNSEKOKRFOLP-AWEZNQCLSA-N 0 0 410.440 4.317 20 30 HIEDRN C=C(C)Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC000555290952 942464358 /nfs/dbraw/zinc/46/43/58/942464358.db2.gz JOXKUAIKJFJLFA-CYBMUJFWSA-N 0 0 415.950 4.091 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC000555307833 942470761 /nfs/dbraw/zinc/47/07/61/942470761.db2.gz AQBVNHQSKQMMOM-OAQYLSRUSA-N 0 0 419.504 4.376 20 30 HIEDRN C=CC1CCN(c2nnc(CN3CCCc4ccccc43)n2CCCOCC)CC1 ZINC000555327223 942478693 /nfs/dbraw/zinc/47/86/93/942478693.db2.gz ZDEKOUXWNBGKHS-UHFFFAOYSA-N 0 0 409.578 4.060 20 30 HIEDRN COc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(C)C)c1OC ZINC000555347332 942487691 /nfs/dbraw/zinc/48/76/91/942487691.db2.gz BSEBIUDVNALWHH-UHFFFAOYSA-N 0 0 405.502 4.126 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000555371010 942500041 /nfs/dbraw/zinc/50/00/41/942500041.db2.gz FBTXYPFINAXDCO-FQEVSTJZSA-N 0 0 407.905 4.286 20 30 HIEDRN CN(Cc1cccc(C#N)c1)c1nnc(-c2cc3ccccc3o2)n1C[C@@H]1CCCO1 ZINC000555403044 942517341 /nfs/dbraw/zinc/51/73/41/942517341.db2.gz VWFVYOWGUWVAPO-FQEVSTJZSA-N 0 0 413.481 4.378 20 30 HIEDRN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CS[C@H]2CCO[C@@H]2C)c1C#N ZINC000555422165 942525114 /nfs/dbraw/zinc/52/51/14/942525114.db2.gz MBIHSRIEOYXBOD-BEFAXECRSA-N 0 0 401.507 4.013 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC([C@@H]4CCCO4)CC3)n2Cc2cccs2)c1 ZINC000555433277 942531034 /nfs/dbraw/zinc/53/10/34/942531034.db2.gz KFUCPZZUBILKCH-NRFANRHFSA-N 0 0 419.554 4.322 20 30 HIEDRN N#CCC1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2Cc2cccs2)CC1 ZINC000555438335 942538467 /nfs/dbraw/zinc/53/84/67/942538467.db2.gz KMXXIPCWGBCEBO-FQEVSTJZSA-N 0 0 405.527 4.194 20 30 HIEDRN N#CCC1CCN(c2nnc(-c3ccc4ccccc4c3)n2C[C@@H]2CCOC2)CC1 ZINC000555448071 942551942 /nfs/dbraw/zinc/55/19/42/942551942.db2.gz GVJKLMUHFSBMQH-IBGZPJMESA-N 0 0 401.514 4.265 20 30 HIEDRN CC(C)C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C1 ZINC000555448246 942552671 /nfs/dbraw/zinc/55/26/71/942552671.db2.gz AJZQEIUBGBISQE-LEWJYISDSA-N 0 0 423.561 4.028 20 30 HIEDRN CC(C)C1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 ZINC000555489055 942591622 /nfs/dbraw/zinc/59/16/22/942591622.db2.gz PQETVGKNHMRRBA-HXUWFJFHSA-N 0 0 423.561 4.028 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)c1nnc(C(C)(C)c2ccccc2)n1C[C@H]1CCOC1 ZINC000555513729 942616066 /nfs/dbraw/zinc/61/60/66/942616066.db2.gz FBKVDLKTBBMNMX-OAQYLSRUSA-N 0 0 415.541 4.149 20 30 HIEDRN Cc1ccccc1-n1ncc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1C(F)(F)F ZINC000555534057 942630027 /nfs/dbraw/zinc/63/00/27/942630027.db2.gz NQODPHGCWKUDRK-UHFFFAOYSA-N 0 0 420.341 4.279 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000555577585 942650703 /nfs/dbraw/zinc/65/07/03/942650703.db2.gz JAGLAVXRPPZEIQ-UHFFFAOYSA-N 0 0 413.264 4.031 20 30 HIEDRN COc1ccc(COC[C@@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000555580630 942652722 /nfs/dbraw/zinc/65/27/22/942652722.db2.gz FQDJZBWGDMDUPK-HXUWFJFHSA-N 0 0 405.450 4.316 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)c1C#N ZINC000555815928 942743605 /nfs/dbraw/zinc/74/36/05/942743605.db2.gz UBXRIJHNQQVPRG-UHFFFAOYSA-N 0 0 421.975 4.418 20 30 HIEDRN CN(Cc1ccc2ccccc2c1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000555847362 942750142 /nfs/dbraw/zinc/75/01/42/942750142.db2.gz KHZDWWYKVUJDDE-UHFFFAOYSA-N 0 0 422.282 4.071 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)C2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000555844770 942750472 /nfs/dbraw/zinc/75/04/72/942750472.db2.gz MRVIEIUCRDMMIJ-FQUBMZHMSA-N 0 0 400.519 4.086 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000555872661 942761951 /nfs/dbraw/zinc/76/19/51/942761951.db2.gz OACHJINLMXBKDK-CYBMUJFWSA-N 0 0 409.442 4.367 20 30 HIEDRN N#C[C@H](NC(=O)Cc1ccc(Br)cc1O)c1c(Cl)cccc1Cl ZINC000555937563 942775841 /nfs/dbraw/zinc/77/58/41/942775841.db2.gz DYJCORNURZUKHS-ZDUSSCGKSA-N 0 0 414.086 4.385 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(Oc4ccccc4)cc3)cc2)c1N ZINC000555941888 942776427 /nfs/dbraw/zinc/77/64/27/942776427.db2.gz MLOYKQHVIXYBRQ-UHFFFAOYSA-N 0 0 409.449 4.048 20 30 HIEDRN COc1ccc(-c2csc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n2)cc1OC ZINC000555966119 942781200 /nfs/dbraw/zinc/78/12/00/942781200.db2.gz AQAKXTSKPOQNJF-UHFFFAOYSA-N 0 0 408.483 4.017 20 30 HIEDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000556034619 942790644 /nfs/dbraw/zinc/79/06/44/942790644.db2.gz VHVYVGCTBQQLIJ-LAUBAEHRSA-N 0 0 407.514 4.038 20 30 HIEDRN Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)sc2ccc(Cl)cc12 ZINC000556035751 942791140 /nfs/dbraw/zinc/79/11/40/942791140.db2.gz PLJNXBHAYUCURB-ZDUSSCGKSA-N 0 0 411.914 4.228 20 30 HIEDRN CC(C)[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000556036926 942791731 /nfs/dbraw/zinc/79/17/31/942791731.db2.gz ADBWWJRGQOGVLK-ORAYPTAESA-N 0 0 401.869 4.041 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556037057 942792389 /nfs/dbraw/zinc/79/23/89/942792389.db2.gz BAGQLXDLLDFNNA-LSDHHAIUSA-N 0 0 407.417 4.030 20 30 HIEDRN C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(C#N)cc1 ZINC000556037302 942792443 /nfs/dbraw/zinc/79/24/43/942792443.db2.gz GKYJZMGEZLEIJK-ROUUACIJSA-N 0 0 422.488 4.152 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](N[C@@H](CC(F)(F)F)c3ccc(F)cc3)C2=O)cc1 ZINC000556093868 942804575 /nfs/dbraw/zinc/80/45/75/942804575.db2.gz PDNHJXPGVXBXCV-OALUTQOASA-N 0 0 405.395 4.476 20 30 HIEDRN CCCN(CCc1cccs1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000556159939 942812886 /nfs/dbraw/zinc/81/28/86/942812886.db2.gz VAUDSNXGPRVJTR-UHFFFAOYSA-N 0 0 403.573 4.399 20 30 HIEDRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000556378015 942852370 /nfs/dbraw/zinc/85/23/70/942852370.db2.gz RQWMMEWAFUPISL-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)CCCCC#N ZINC000556404432 942858279 /nfs/dbraw/zinc/85/82/79/942858279.db2.gz LIULRNNUOHWHQJ-UHFFFAOYSA-N 0 0 402.360 4.180 20 30 HIEDRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000556426618 942863750 /nfs/dbraw/zinc/86/37/50/942863750.db2.gz ZNGXACZZTURMNV-SFHVURJKSA-N 0 0 423.476 4.271 20 30 HIEDRN CCOc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000556445276 942869402 /nfs/dbraw/zinc/86/94/02/942869402.db2.gz BHLGEQPFPCCCHI-UHFFFAOYSA-N 0 0 412.921 4.032 20 30 HIEDRN C=CCN(C(=O)Cc1ccc(Br)cc1O)c1nc2c(s1)CCCC2 ZINC000556451238 942870689 /nfs/dbraw/zinc/87/06/89/942870689.db2.gz QGMRHLARPGENJX-UHFFFAOYSA-N 0 0 407.333 4.252 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2cnc3n2CCCC3)c1 ZINC000556497187 942884889 /nfs/dbraw/zinc/88/48/89/942884889.db2.gz QSWYNRFBBUTDLO-UHFFFAOYSA-N 0 0 406.873 4.467 20 30 HIEDRN COCC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000556536113 942893546 /nfs/dbraw/zinc/89/35/46/942893546.db2.gz MIGDGAGUVMVJJH-QGZVFWFLSA-N 0 0 420.296 4.006 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCC3)cc2)cc1 ZINC000556549808 942896973 /nfs/dbraw/zinc/89/69/73/942896973.db2.gz LMFXPUQXUWPXRU-UHFFFAOYSA-N 0 0 405.498 4.064 20 30 HIEDRN CCn1c2ccccc2c2cc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)ccc21 ZINC000556570887 942901761 /nfs/dbraw/zinc/90/17/61/942901761.db2.gz MLELXWFJCTVHJB-UHFFFAOYSA-N 0 0 422.488 4.430 20 30 HIEDRN COc1cc(OC)cc(OCCCNC(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000556571775 942902948 /nfs/dbraw/zinc/90/29/48/942902948.db2.gz UCEWDOVITKNEII-UHFFFAOYSA-N 0 0 410.495 4.298 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000556593218 942908088 /nfs/dbraw/zinc/90/80/88/942908088.db2.gz UATGSIVYIGETPX-CQSZACIVSA-N 0 0 416.905 4.455 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000556620233 942917962 /nfs/dbraw/zinc/91/79/62/942917962.db2.gz XNHJDQICDXXEBX-QHCPKHFHSA-N 0 0 401.510 4.121 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000556620232 942918443 /nfs/dbraw/zinc/91/84/43/942918443.db2.gz XNHJDQICDXXEBX-HSZRJFAPSA-N 0 0 401.510 4.121 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000556625104 942920149 /nfs/dbraw/zinc/92/01/49/942920149.db2.gz SSPRUWPCLQKEOF-QGZVFWFLSA-N 0 0 405.376 4.075 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000556625109 942920222 /nfs/dbraw/zinc/92/02/22/942920222.db2.gz SUZUJTDGEDMGDY-MRXNPFEDSA-N 0 0 419.403 4.118 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nccs2)c1)c1ccccc1 ZINC000556625306 942920331 /nfs/dbraw/zinc/92/03/31/942920331.db2.gz ZYBNMQGTYCSFMZ-LJQANCHMSA-N 0 0 404.495 4.300 20 30 HIEDRN Cc1cc(C#N)cnc1C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000556815934 942934839 /nfs/dbraw/zinc/93/48/39/942934839.db2.gz HZUHQFXYZFFASR-UHFFFAOYSA-N 0 0 400.154 4.175 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000556826030 942936329 /nfs/dbraw/zinc/93/63/29/942936329.db2.gz FCGWSAUEJKXCHG-UHFFFAOYSA-N 0 0 409.507 4.110 20 30 HIEDRN N#C[C@H](NC(=O)c1cscc1Br)c1ccc(OC(F)(F)F)cc1 ZINC000556837613 942939077 /nfs/dbraw/zinc/93/90/77/942939077.db2.gz CMCHASKRTJZUET-LBPRGKRZSA-N 0 0 405.195 4.404 20 30 HIEDRN Cc1noc([C@H]2CCCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000556883791 942950206 /nfs/dbraw/zinc/95/02/06/942950206.db2.gz FSWNGCGBUZSBRW-QGZVFWFLSA-N 0 0 413.547 4.136 20 30 HIEDRN C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000556923409 942967183 /nfs/dbraw/zinc/96/71/83/942967183.db2.gz BVJBEKQSARICEU-LBPRGKRZSA-N 0 0 410.836 4.310 20 30 HIEDRN CCOc1ccccc1OCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)C ZINC000556995081 942989613 /nfs/dbraw/zinc/98/96/13/942989613.db2.gz BEOIPPGABABGJR-UHFFFAOYSA-N 0 0 419.529 4.420 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cccc(C#N)c1 ZINC000556995363 942989692 /nfs/dbraw/zinc/98/96/92/942989692.db2.gz FEXXHHFGOOEKQD-UHFFFAOYSA-N 0 0 403.486 4.046 20 30 HIEDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000557007441 942993320 /nfs/dbraw/zinc/99/33/20/942993320.db2.gz UGOMEMCOEZAASG-RUZDIDTESA-N 0 0 423.532 4.104 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000557060817 943008986 /nfs/dbraw/zinc/00/89/86/943008986.db2.gz CKRAFNGRJIUPEQ-UHFFFAOYSA-N 0 0 401.220 4.056 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000557062145 943009899 /nfs/dbraw/zinc/00/98/99/943009899.db2.gz SAAVTSNMCYKIIG-CALCHBBNSA-N 0 0 420.513 4.021 20 30 HIEDRN Cc1ccc(Sc2ncccc2C(=O)NCC(=O)c2ccc(C#N)cc2)cc1C ZINC000557090434 943017695 /nfs/dbraw/zinc/01/76/95/943017695.db2.gz ZQTBNGKDWZYWGA-UHFFFAOYSA-N 0 0 401.491 4.334 20 30 HIEDRN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557111152 943021522 /nfs/dbraw/zinc/02/15/22/943021522.db2.gz BXJLBUQHYIKBMP-CQSZACIVSA-N 0 0 402.853 4.188 20 30 HIEDRN CC1(C(=O)N[C@@H]2CCc3ccccc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557357119 943084766 /nfs/dbraw/zinc/08/47/66/943084766.db2.gz HOYLLJHPFYBAKI-OAQYLSRUSA-N 0 0 407.945 4.492 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000557409568 943110177 /nfs/dbraw/zinc/11/01/77/943110177.db2.gz QHPRLELEJLQOQZ-RTWAWAEBSA-N 0 0 415.424 4.100 20 30 HIEDRN COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)c1OC ZINC000557442115 943128228 /nfs/dbraw/zinc/12/82/28/943128228.db2.gz BMMDUACBZYJIOD-UHFFFAOYSA-N 0 0 415.449 4.389 20 30 HIEDRN CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000557459649 943140610 /nfs/dbraw/zinc/14/06/10/943140610.db2.gz MYWNSEIPPLEIRL-UHFFFAOYSA-N 0 0 421.497 4.187 20 30 HIEDRN CCOc1ccc(CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C(C)C)cc1 ZINC000557470531 943149783 /nfs/dbraw/zinc/14/97/83/943149783.db2.gz MVJXHISMKXERBG-HXUWFJFHSA-N 0 0 409.505 4.360 20 30 HIEDRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000557471606 943150306 /nfs/dbraw/zinc/15/03/06/943150306.db2.gz CRCFZOPSPDPTIS-QGZVFWFLSA-N 0 0 424.913 4.332 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)CCCn3ccc4cc(Cl)ccc43)C2)nc1 ZINC000557472824 943151591 /nfs/dbraw/zinc/15/15/91/943151591.db2.gz GJZJBVAUFNCWPA-IBGZPJMESA-N 0 0 408.889 4.021 20 30 HIEDRN CCCCCn1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc21 ZINC000557474077 943152047 /nfs/dbraw/zinc/15/20/47/943152047.db2.gz GEZRLCBTLLTQGF-LJQANCHMSA-N 0 0 402.498 4.392 20 30 HIEDRN Cc1nc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(Br)s1 ZINC000557475542 943153047 /nfs/dbraw/zinc/15/30/47/943153047.db2.gz LVWXMZSIOXJWRB-UHFFFAOYSA-N 0 0 403.223 4.014 20 30 HIEDRN CCOCCOCc1cccc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)c1 ZINC000557493082 943166220 /nfs/dbraw/zinc/16/62/20/943166220.db2.gz LNMFZABMUSTNSU-UHFFFAOYSA-N 0 0 415.415 4.111 20 30 HIEDRN Cc1c[nH]c(=O)n1-c1cccc(-c2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)c1 ZINC000557513327 943181038 /nfs/dbraw/zinc/18/10/38/943181038.db2.gz DNJNGVZRNYBLDD-UHFFFAOYSA-N 0 0 410.393 4.130 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000557557723 943207204 /nfs/dbraw/zinc/20/72/04/943207204.db2.gz LECZTNSYEOKNBN-AEFFLSMTSA-N 0 0 419.504 4.332 20 30 HIEDRN CC(C)(C)OC(=O)CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557561916 943209954 /nfs/dbraw/zinc/20/99/54/943209954.db2.gz XQZUEBOFGVDRDP-UHFFFAOYSA-N 0 0 419.953 4.056 20 30 HIEDRN CC[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H](C)[S@]1=O ZINC000557579178 943217996 /nfs/dbraw/zinc/21/79/96/943217996.db2.gz XFEXWVJZPWIAHO-HQDCFFQKSA-N 0 0 416.930 4.376 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)c1ccccc1Br ZINC000557586029 943219858 /nfs/dbraw/zinc/21/98/58/943219858.db2.gz XWBIXXGNFLKMNM-UHFFFAOYSA-N 0 0 406.320 4.417 20 30 HIEDRN Cc1c(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cnn1-c1cc(C)ccc1C ZINC000557599396 943226520 /nfs/dbraw/zinc/22/65/20/943226520.db2.gz ACGDRYGQGPXXPN-IBGZPJMESA-N 0 0 417.488 4.273 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1CC ZINC000557599646 943226644 /nfs/dbraw/zinc/22/66/44/943226644.db2.gz FWHQAAUEBXZTTB-UHFFFAOYSA-N 0 0 413.905 4.392 20 30 HIEDRN N#Cc1c(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)nc2cc(Cl)ccn21 ZINC000557637332 943242878 /nfs/dbraw/zinc/24/28/78/943242878.db2.gz HELPFBWNUZRLKB-INIZCTEOSA-N 0 0 404.804 4.039 20 30 HIEDRN Cc1ccccc1C1(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CCOCC1 ZINC000557661188 943251846 /nfs/dbraw/zinc/25/18/46/943251846.db2.gz XQGAOYPSUUQPTM-UHFFFAOYSA-N 0 0 422.500 4.124 20 30 HIEDRN CCOC(=O)c1cnn(C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)c1C ZINC000557682328 943258432 /nfs/dbraw/zinc/25/84/32/943258432.db2.gz LFQAIECUSJKUCC-UHFFFAOYSA-N 0 0 406.408 4.100 20 30 HIEDRN CC(C)c1noc(-c2ccnc(N3CCC(Oc4ccc(C#N)cc4F)CC3)c2)n1 ZINC000557721823 943269310 /nfs/dbraw/zinc/26/93/10/943269310.db2.gz IKZDRLPIKYWWTR-UHFFFAOYSA-N 0 0 407.449 4.314 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3nc4c(cccc4Br)s3)n2)c1 ZINC000557775053 943287764 /nfs/dbraw/zinc/28/77/64/943287764.db2.gz NZKYQOVUEZEPMO-UHFFFAOYSA-N 0 0 424.283 4.368 20 30 HIEDRN COCc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)cc(C(=O)OC)c1 ZINC000557816054 943301543 /nfs/dbraw/zinc/30/15/43/943301543.db2.gz XLEKHIWIBQSOCQ-UHFFFAOYSA-N 0 0 400.434 4.411 20 30 HIEDRN CN(Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000557894598 943323071 /nfs/dbraw/zinc/32/30/71/943323071.db2.gz FMOUQZDYSHEHPK-UHFFFAOYSA-N 0 0 417.896 4.153 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000557913685 943327569 /nfs/dbraw/zinc/32/75/69/943327569.db2.gz CNWPRYMNUJMVQC-UHFFFAOYSA-N 0 0 416.403 4.070 20 30 HIEDRN N#Cc1c(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n[nH]c1C1CC1 ZINC000557932261 943332268 /nfs/dbraw/zinc/33/22/68/943332268.db2.gz QNIRNZSBLOMRSE-UHFFFAOYSA-N 0 0 404.282 4.841 20 30 HIEDRN O=C(N[C@H]1CC[C@@H](F)C1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000557960544 943340420 /nfs/dbraw/zinc/34/04/20/943340420.db2.gz XHSYUKOXSOBXKM-MNOVXSKESA-N 0 0 403.294 4.189 20 30 HIEDRN N#CCCn1cc(/C=C\c2nc(CC(=O)Nc3ccc(F)cc3)no2)c2ccccc21 ZINC000558009285 943353330 /nfs/dbraw/zinc/35/33/30/943353330.db2.gz JAZMEEKPVDZFJV-WDZFZDKYSA-N 0 0 415.428 4.429 20 30 HIEDRN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000558010681 943354077 /nfs/dbraw/zinc/35/40/77/943354077.db2.gz CDYVGSWRWOSVHP-HXUWFJFHSA-N 0 0 409.461 4.082 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)c1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000558048154 943366260 /nfs/dbraw/zinc/36/62/60/943366260.db2.gz USXYCCAJUMCKNN-UHFFFAOYSA-N 0 0 407.474 4.122 20 30 HIEDRN N#Cc1cc(Br)ccc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000558101578 943379587 /nfs/dbraw/zinc/37/95/87/943379587.db2.gz ZKRODMQBROBLJJ-UHFFFAOYSA-N 0 0 416.294 4.311 20 30 HIEDRN COc1cccc(-c2noc([C@@H](C)NCc3ccc(Br)cc3C#N)n2)c1 ZINC000558117793 943384257 /nfs/dbraw/zinc/38/42/57/943384257.db2.gz ULLNZKCINDGMOR-GFCCVEGCSA-N 0 0 413.275 4.230 20 30 HIEDRN Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)ccc12 ZINC000558172986 943408578 /nfs/dbraw/zinc/40/85/78/943408578.db2.gz NVJTUZVNBLSFEJ-UHFFFAOYSA-N 0 0 414.465 4.084 20 30 HIEDRN C[C@H](Nc1ccc(C(=O)Nc2ccccc2CC#N)cc1[N+](=O)[O-])c1ccccn1 ZINC000558189533 943423379 /nfs/dbraw/zinc/42/33/79/943423379.db2.gz HOAWWTWFEKZAPJ-HNNXBMFYSA-N 0 0 401.426 4.481 20 30 HIEDRN CO[C@H]1Cc2ccccc2N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000558190493 943423558 /nfs/dbraw/zinc/42/35/58/943423558.db2.gz PBABLNLRVZCHSL-FQEVSTJZSA-N 0 0 423.944 4.422 20 30 HIEDRN C[C@](CO)(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1cccc(O)c1 ZINC000558194406 943427387 /nfs/dbraw/zinc/42/73/87/943427387.db2.gz WKEULQQGAWUFHL-HSZRJFAPSA-N 0 0 403.438 4.085 20 30 HIEDRN CSCC[C@@](C)(C#N)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000558213625 943436004 /nfs/dbraw/zinc/43/60/04/943436004.db2.gz YJQOHGTYNGVSGZ-AWEZNQCLSA-N 0 0 416.391 4.399 20 30 HIEDRN CCc1ccc([C@H](C#N)NC(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 ZINC000558286687 943484023 /nfs/dbraw/zinc/48/40/23/943484023.db2.gz QNAHTKISIMQRSK-FQEVSTJZSA-N 0 0 419.554 4.309 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)NCCCCCOC2CCCCC2)CC1 ZINC000558287193 943485293 /nfs/dbraw/zinc/48/52/93/943485293.db2.gz XPKDQSXXUOTHLB-UHFFFAOYSA-N 0 0 412.578 4.300 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000558308448 943497467 /nfs/dbraw/zinc/49/74/67/943497467.db2.gz XJEMWTIJJYIISX-GOSISDBHSA-N 0 0 411.849 4.213 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nnc(C2CC2)o1 ZINC000558322074 943506668 /nfs/dbraw/zinc/50/66/68/943506668.db2.gz DBUZJKRGZNRSPH-UHFFFAOYSA-N 0 0 403.442 4.028 20 30 HIEDRN Cc1noc([C@H]2CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 ZINC000558325626 943508039 /nfs/dbraw/zinc/50/80/39/943508039.db2.gz HGJTWFVKBLJJCX-LJQANCHMSA-N 0 0 421.432 4.337 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](c3nc(CCn4ccc5ccccc54)no3)C2)c(F)c1 ZINC000558361536 943526153 /nfs/dbraw/zinc/52/61/53/943526153.db2.gz LWFRPVDIXVAEOH-SFHVURJKSA-N 0 0 401.445 4.272 20 30 HIEDRN CSc1nc(C2CC2)cc(-c2nc(CCc3ccc4c(c3)CCO4)no2)c1C#N ZINC000558377119 943533521 /nfs/dbraw/zinc/53/35/21/943533521.db2.gz UYRSBLIRHKMPDT-UHFFFAOYSA-N 0 0 404.495 4.323 20 30 HIEDRN CC1CCC(N(Cc2ccc3c(c2)OCO3)S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000558436630 943558580 /nfs/dbraw/zinc/55/85/80/943558580.db2.gz MLIWYHMNDSHJTO-UHFFFAOYSA-N 0 0 406.548 4.066 20 30 HIEDRN C=CCn1c(COCc2ccccc2)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC000558447710 943561294 /nfs/dbraw/zinc/56/12/94/943561294.db2.gz KJNCQDZDJFFEQO-UHFFFAOYSA-N 0 0 402.498 4.180 20 30 HIEDRN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000558454278 943563696 /nfs/dbraw/zinc/56/36/96/943563696.db2.gz DYAXRQLSRBFQMT-IAGOWNOFSA-N 0 0 409.317 4.200 20 30 HIEDRN C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](CCOC)C1 ZINC000558452797 943563741 /nfs/dbraw/zinc/56/37/41/943563741.db2.gz POONUNRIPQHBSH-SFHVURJKSA-N 0 0 407.518 4.429 20 30 HIEDRN C=CCn1c(-c2ccc(Br)cc2)nnc1N(CCOC)Cc1ccco1 ZINC000558455204 943564556 /nfs/dbraw/zinc/56/45/56/943564556.db2.gz WKFUNULTCNZTOH-UHFFFAOYSA-N 0 0 417.307 4.140 20 30 HIEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC000558456187 943564616 /nfs/dbraw/zinc/56/46/16/943564616.db2.gz BQNBGYPJVLKTPE-UHFFFAOYSA-N 0 0 418.261 4.391 20 30 HIEDRN Cc1cnn([C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)c1 ZINC000558490143 943573853 /nfs/dbraw/zinc/57/38/53/943573853.db2.gz UCZJUVOJSKNZPC-OAQYLSRUSA-N 0 0 415.497 4.316 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1F ZINC000558503223 943578018 /nfs/dbraw/zinc/57/80/18/943578018.db2.gz DIUHZJRMLNFYTD-OAQYLSRUSA-N 0 0 416.456 4.277 20 30 HIEDRN C[C@H](COc1cccc(F)c1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000558512882 943581573 /nfs/dbraw/zinc/58/15/73/943581573.db2.gz ZEADXBVRJPXZDF-OAHLLOKOSA-N 0 0 406.417 4.474 20 30 HIEDRN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000558516078 943584943 /nfs/dbraw/zinc/58/49/43/943584943.db2.gz LQQBBOCWSSSGHF-HNNXBMFYSA-N 0 0 407.285 4.476 20 30 HIEDRN C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000558565222 943600706 /nfs/dbraw/zinc/60/07/06/943600706.db2.gz ZRNHLZOBVQTIMH-HNNXBMFYSA-N 0 0 402.420 4.428 20 30 HIEDRN CC(C)COc1ccccc1-c1noc(-c2ccc(-n3ncc(C#N)c3N)cc2)n1 ZINC000558567902 943602134 /nfs/dbraw/zinc/60/21/34/943602134.db2.gz UBSGYDSIIGKVOE-UHFFFAOYSA-N 0 0 400.442 4.078 20 30 HIEDRN CCOC(=O)c1c(C)c2ccccc2nc1N1CCC(C#N)(c2ccccn2)CC1 ZINC000558568449 943602483 /nfs/dbraw/zinc/60/24/83/943602483.db2.gz IQCIGXIZTQYOTE-UHFFFAOYSA-N 0 0 400.482 4.177 20 30 HIEDRN N#CC1(C(=O)N(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CCCCC1 ZINC000558575331 943605242 /nfs/dbraw/zinc/60/52/42/943605242.db2.gz YUXYUUNHHGSUNE-MRXNPFEDSA-N 0 0 402.844 4.108 20 30 HIEDRN N#Cc1cc(Oc2ccc(N3C(=O)[C@@H]4C[C@@H](C5CCCCC5)CN4C3=O)cc2)ccn1 ZINC000558586344 943609050 /nfs/dbraw/zinc/60/90/50/943609050.db2.gz HWKPXUZHKCBMMV-VGSWGCGISA-N 0 0 416.481 4.483 20 30 HIEDRN Cc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)ccc1NC(=O)CC(C)C ZINC000558587623 943609838 /nfs/dbraw/zinc/60/98/38/943609838.db2.gz QFPBRJMLOKXUJZ-UHFFFAOYSA-N 0 0 404.514 4.072 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000558594244 943612835 /nfs/dbraw/zinc/61/28/35/943612835.db2.gz NGOSXGNVJAUTHS-UHFFFAOYSA-N 0 0 406.873 4.016 20 30 HIEDRN N#CC1(c2ccccn2)CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000558622703 943620003 /nfs/dbraw/zinc/62/00/03/943620003.db2.gz AFDHOMKYPSLPDH-HXUWFJFHSA-N 0 0 411.933 4.350 20 30 HIEDRN COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558627839 943620636 /nfs/dbraw/zinc/62/06/36/943620636.db2.gz ACXQPSOKMJFFIR-GOSISDBHSA-N 0 0 404.297 4.160 20 30 HIEDRN N#CC1(c2ccccn2)CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000558627464 943620660 /nfs/dbraw/zinc/62/06/60/943620660.db2.gz HQIYEOSTFFMBJQ-UHFFFAOYSA-N 0 0 402.473 4.252 20 30 HIEDRN C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000558634214 943621924 /nfs/dbraw/zinc/62/19/24/943621924.db2.gz XPQAHKMMLKKSCS-HKUYNNGSSA-N 0 0 413.315 4.179 20 30 HIEDRN C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000558635316 943622509 /nfs/dbraw/zinc/62/25/09/943622509.db2.gz PXRLCBYANYJLIR-UZLBHIALSA-N 0 0 417.488 4.259 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000558637615 943623270 /nfs/dbraw/zinc/62/32/70/943623270.db2.gz ISKISBYZTCCICE-UHFFFAOYSA-N 0 0 421.245 4.212 20 30 HIEDRN CCOc1ccc([C@H](C)NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OCC ZINC000558649994 943624573 /nfs/dbraw/zinc/62/45/73/943624573.db2.gz LOWVENBZWXPMHX-SFHVURJKSA-N 0 0 422.529 4.207 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC000558664324 943626059 /nfs/dbraw/zinc/62/60/59/943626059.db2.gz VKMNGOYREUXJIK-NRFANRHFSA-N 0 0 408.477 4.069 20 30 HIEDRN CCc1ccc([C@@H](C)NC(=O)Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)cc1 ZINC000558755324 943647391 /nfs/dbraw/zinc/64/73/91/943647391.db2.gz NMDJECXLODYDHY-OAHLLOKOSA-N 0 0 407.901 4.275 20 30 HIEDRN N#Cc1ccc(N2CCN(c3nnc(C4CC4)n3Cc3ccccc3)CC2)c(Cl)c1 ZINC000558909542 943741782 /nfs/dbraw/zinc/74/17/82/943741782.db2.gz NAWOOUBHJVDYCF-UHFFFAOYSA-N 0 0 418.932 4.055 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000558919074 943746625 /nfs/dbraw/zinc/74/66/25/943746625.db2.gz AKDLSRCAWHOMDR-DENIHFKCSA-N 0 0 422.550 4.007 20 30 HIEDRN CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ccccc1 ZINC000558933035 943755006 /nfs/dbraw/zinc/75/50/06/943755006.db2.gz BWYUXQQVPDSBFH-UHFFFAOYSA-N 0 0 420.948 4.301 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2)cc1 ZINC000558946879 943767832 /nfs/dbraw/zinc/76/78/32/943767832.db2.gz DZZYCKKVUONTOS-JOCHJYFZSA-N 0 0 415.541 4.214 20 30 HIEDRN N#Cc1ccc(OC2CCN(c3nnc(Cc4ccc(F)cc4)s3)CC2)c(F)c1 ZINC000558951666 943769805 /nfs/dbraw/zinc/76/98/05/943769805.db2.gz KYSLPSIHYUDPNF-UHFFFAOYSA-N 0 0 412.465 4.327 20 30 HIEDRN CCc1noc(C)c1CNc1cc(NCc2c(C)onc2CC)c([N+](=O)[O-])cc1C#N ZINC000558951474 943770152 /nfs/dbraw/zinc/77/01/52/943770152.db2.gz GMIYEQQXSDBARD-UHFFFAOYSA-N 0 0 424.461 4.408 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000558966076 943773954 /nfs/dbraw/zinc/77/39/54/943773954.db2.gz XUFSKWZYQGIFDS-MHPIHPPYSA-N 0 0 418.541 4.447 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[C@](C)(OC)C1 ZINC000558982290 943785183 /nfs/dbraw/zinc/78/51/83/943785183.db2.gz IEIBRBXMYZPYSO-QHCPKHFHSA-N 0 0 414.550 4.322 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)Cc1cnn(C)c1C ZINC000558984889 943786722 /nfs/dbraw/zinc/78/67/22/943786722.db2.gz IMEQINLVYTZERM-LJQANCHMSA-N 0 0 408.550 4.289 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(OCCOC)CC1 ZINC000558985575 943786839 /nfs/dbraw/zinc/78/68/39/943786839.db2.gz XTXCHXBNLMTCMU-UHFFFAOYSA-N 0 0 421.545 4.010 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000558986384 943787940 /nfs/dbraw/zinc/78/79/40/943787940.db2.gz KTGJWOXDXSHHEP-IBGZPJMESA-N 0 0 410.543 4.478 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC000558989253 943790182 /nfs/dbraw/zinc/79/01/82/943790182.db2.gz PFJRIOMMDWBMFP-WZONZLPQSA-N 0 0 412.534 4.000 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC000558987765 943790274 /nfs/dbraw/zinc/79/02/74/943790274.db2.gz LRENJNPFZWCMBU-IBGZPJMESA-N 0 0 403.530 4.027 20 30 HIEDRN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000558990506 943791157 /nfs/dbraw/zinc/79/11/57/943791157.db2.gz APLAVQPCNNLZTB-XZDHIHRUSA-N 0 0 410.562 4.170 20 30 HIEDRN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 ZINC000558994180 943792930 /nfs/dbraw/zinc/79/29/30/943792930.db2.gz CQSIKHGHMKKXJG-NRFANRHFSA-N 0 0 415.626 4.500 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCN(C2CC2)CC1 ZINC000558993534 943793036 /nfs/dbraw/zinc/79/30/36/943793036.db2.gz FCSXHFGKFBLJAH-IBGZPJMESA-N 0 0 417.557 4.432 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000558993720 943793179 /nfs/dbraw/zinc/79/31/79/943793179.db2.gz QRVXITXNDMGFCG-HNNXBMFYSA-N 0 0 406.412 4.171 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000558994009 943793191 /nfs/dbraw/zinc/79/31/91/943793191.db2.gz AQACPJQDHCTWDP-LAUBAEHRSA-N 0 0 419.485 4.396 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000558994824 943793371 /nfs/dbraw/zinc/79/33/71/943793371.db2.gz LLUISNYLVJOSGD-SFHVURJKSA-N 0 0 416.428 4.294 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(OCc2ccccc2)CC1 ZINC000558994755 943793473 /nfs/dbraw/zinc/79/34/73/943793473.db2.gz JBXGXWKVOYOYQW-UHFFFAOYSA-N 0 0 403.530 4.026 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000558995998 943794298 /nfs/dbraw/zinc/79/42/98/943794298.db2.gz WKMGZLDKJJESNH-UHFFFAOYSA-N 0 0 421.520 4.037 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000558995636 943794317 /nfs/dbraw/zinc/79/43/17/943794317.db2.gz HNXNKUXGKYEZDX-QGZVFWFLSA-N 0 0 421.314 4.038 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ccccc2)CC1 ZINC000558996499 943795193 /nfs/dbraw/zinc/79/51/93/943795193.db2.gz IBUDUNKOMRFKCX-UHFFFAOYSA-N 0 0 403.530 4.068 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)CCn1cccn1 ZINC000558996624 943795514 /nfs/dbraw/zinc/79/55/14/943795514.db2.gz MJKBQHIBXGTNHW-LJQANCHMSA-N 0 0 416.529 4.480 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC000558997533 943795550 /nfs/dbraw/zinc/79/55/50/943795550.db2.gz COGVVVKNELSUSS-KRWDZBQOSA-N 0 0 411.481 4.313 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000558999095 943796517 /nfs/dbraw/zinc/79/65/17/943796517.db2.gz MKJMZSYFFHZKDG-MRXNPFEDSA-N 0 0 413.472 4.276 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](CC(C)C)C1 ZINC000559003413 943798798 /nfs/dbraw/zinc/79/87/98/943798798.db2.gz AVQWLBHNSNNYMH-SFHVURJKSA-N 0 0 420.561 4.123 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000559003071 943798908 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CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1F ZINC000031547916 847905144 /nfs/dbraw/zinc/90/51/44/847905144.db2.gz BSULUNGODMZEQL-UHFFFAOYSA-N 0 0 411.202 4.015 20 30 HIEDRN C=CCn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccccc1 ZINC000031838420 847957173 /nfs/dbraw/zinc/95/71/73/847957173.db2.gz XDRMRQJRUIUOEA-UHFFFAOYSA-N 0 0 420.454 4.382 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccc(Cl)cc1 ZINC000032062112 847984012 /nfs/dbraw/zinc/98/40/12/847984012.db2.gz PHAOFWMHTSLBPN-UHFFFAOYSA-N 0 0 405.936 4.280 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O ZINC000436569127 861855380 /nfs/dbraw/zinc/85/53/80/861855380.db2.gz ADLPMQKRKSZHMR-UHFFFAOYSA-N 0 0 415.440 4.325 20 30 HIEDRN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032153926 847989406 /nfs/dbraw/zinc/98/94/06/847989406.db2.gz NKVPEXVRBLRWQH-QFIPXVFZSA-N 0 0 414.461 4.049 20 30 HIEDRN CNc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1[N+](=O)[O-] ZINC000032288682 847997299 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CS(=O)(=O)N(Cc1cccc(F)c1C#N)c1ccc(Br)cc1Cl ZINC000427559735 856866174 /nfs/dbraw/zinc/86/61/74/856866174.db2.gz OGWSSDLVECOMMP-UHFFFAOYSA-N 0 0 417.687 4.079 20 30 HIEDRN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 ZINC000427600475 856884076 /nfs/dbraw/zinc/88/40/76/856884076.db2.gz UAZLMPZHZLPLCJ-UHFFFAOYSA-N 0 0 411.805 4.381 20 30 HIEDRN CCc1c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cnn1CCC(C)C ZINC000427604905 856885221 /nfs/dbraw/zinc/88/52/21/856885221.db2.gz UGEGQQMRUDNVEL-UHFFFAOYSA-N 0 0 408.546 4.483 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 ZINC000437491540 862848702 /nfs/dbraw/zinc/84/87/02/862848702.db2.gz AUCJQWKFNRQJJC-UKILVPOCSA-N 0 0 421.537 4.498 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 ZINC000437491536 862849007 /nfs/dbraw/zinc/84/90/07/862849007.db2.gz AUCJQWKFNRQJJC-ILBGXUMGSA-N 0 0 421.537 4.498 20 30 HIEDRN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)o1 ZINC000437493083 862849993 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C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000437568695 862890006 /nfs/dbraw/zinc/89/00/06/862890006.db2.gz OTOKXWOGNRQPHG-OAQYLSRUSA-N 0 0 402.926 4.492 20 30 HIEDRN CN1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)c2cc(F)ccc21 ZINC000428628331 857283385 /nfs/dbraw/zinc/28/33/85/857283385.db2.gz YWJWUTHTTLXPMA-UHFFFAOYSA-N 0 0 403.461 4.090 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)[C@@H](C)CO1 ZINC000428649893 857289019 /nfs/dbraw/zinc/28/90/19/857289019.db2.gz NQMJKLNXMSUWSO-CVDCTZTESA-N 0 0 414.509 4.374 20 30 HIEDRN COc1cc(F)c([C@@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1OC ZINC000428704979 857303703 /nfs/dbraw/zinc/30/37/03/857303703.db2.gz BIIYEXUCZKCCTK-OAHLLOKOSA-N 0 0 422.460 4.111 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428711705 857306306 /nfs/dbraw/zinc/30/63/06/857306306.db2.gz LVWWCBAPUWWEOL-NQIIRXRSSA-N 0 0 404.505 4.397 20 30 HIEDRN C[C@@]12CCN(CC(=O)Nc3c(C#N)c4c(n3-c3ccccc3)CCCC4)C[C@@H]1C2(F)F 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ZINC000434810863 860504148 /nfs/dbraw/zinc/50/41/48/860504148.db2.gz UZEVLZOPVDOCIE-HXUWFJFHSA-N 0 0 416.481 4.376 20 30 HIEDRN CCC[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)sc2C1 ZINC000434826099 860509228 /nfs/dbraw/zinc/50/92/28/860509228.db2.gz LIIMDJDUNWWTSN-NVXWUHKLSA-N 0 0 410.543 4.148 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000434827057 860509624 /nfs/dbraw/zinc/50/96/24/860509624.db2.gz PLVLYXKUMHYFQC-FQEVSTJZSA-N 0 0 406.530 4.491 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)C1=O ZINC000434828222 860510459 /nfs/dbraw/zinc/51/04/59/860510459.db2.gz BQRUTTZTGBENPD-HXUWFJFHSA-N 0 0 406.486 4.135 20 30 HIEDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434840433 860516176 /nfs/dbraw/zinc/51/61/76/860516176.db2.gz BBZOCMGBLNOGRQ-LBPRGKRZSA-N 0 0 421.328 4.107 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000434844970 860519356 /nfs/dbraw/zinc/51/93/56/860519356.db2.gz 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COCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434905092 860548906 /nfs/dbraw/zinc/54/89/06/860548906.db2.gz PRNMECTYUQWVMP-HXUWFJFHSA-N 0 0 419.525 4.338 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434905090 860548960 /nfs/dbraw/zinc/54/89/60/860548960.db2.gz PRNMECTYUQWVMP-FQEVSTJZSA-N 0 0 419.525 4.338 20 30 HIEDRN C=CCC[C@@H](NC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000434982200 860585307 /nfs/dbraw/zinc/58/53/07/860585307.db2.gz KGQSHRLLELOUMY-HSZRJFAPSA-N 0 0 420.557 4.096 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC000434994551 860589212 /nfs/dbraw/zinc/58/92/12/860589212.db2.gz JVHTVYYQPMLWJO-UHFFFAOYSA-N 0 0 412.515 4.062 20 30 HIEDRN Cc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnn1-c1cc(C)ccc1C ZINC000434999982 860591560 /nfs/dbraw/zinc/59/15/60/860591560.db2.gz LFEOJUZSFAWTOT-UHFFFAOYSA-N 0 0 414.509 4.353 20 30 HIEDRN CCOc1ccc(Oc2cc(CNC(=O)C3(c4cccc(C#N)c4)CC3)ccn2)cc1 ZINC000435018358 860600138 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N#Cc1ccc(OCCNC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000435172220 860677194 /nfs/dbraw/zinc/67/71/94/860677194.db2.gz VLAZLXSWEOPRGX-AWEZNQCLSA-N 0 0 424.448 4.002 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cc1C(F)(F)F ZINC000435173827 860677652 /nfs/dbraw/zinc/67/76/52/860677652.db2.gz OPNOWBHONVMGAV-UHFFFAOYSA-N 0 0 408.323 4.483 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000467754967 881568375 /nfs/dbraw/zinc/56/83/75/881568375.db2.gz QJICHFOHZUUDPB-XXMUNEJQSA-N 0 0 408.498 4.132 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000435196815 860691704 /nfs/dbraw/zinc/69/17/04/860691704.db2.gz GKFPDIKXGPXCQN-LLVKDONJSA-N 0 0 423.872 4.125 20 30 HIEDRN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1Br ZINC000435225856 860699907 /nfs/dbraw/zinc/69/99/07/860699907.db2.gz JDNBSJXDJHXLSQ-CQSZACIVSA-N 0 0 407.333 4.401 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)ccc1Br ZINC000435228729 860700645 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HIEDRN N#CCC[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000439668477 864999515 /nfs/dbraw/zinc/99/95/15/864999515.db2.gz MVYUTMBIYDOVHH-HSZRJFAPSA-N 0 0 422.488 4.220 20 30 HIEDRN CCCc1c(NC(=O)NC[C@H]2CCCO[C@H]2C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439669132 865000111 /nfs/dbraw/zinc/00/01/11/865000111.db2.gz OQXMGOUGFNOBIB-GCJKJVERSA-N 0 0 409.534 4.269 20 30 HIEDRN CCCc1c(NC(=O)NCc2cccc(N(C)C)c2)cnn1-c1cccc(C#N)c1 ZINC000439673284 865005885 /nfs/dbraw/zinc/00/58/85/865005885.db2.gz MQCDQWLRNRLXBQ-UHFFFAOYSA-N 0 0 402.502 4.084 20 30 HIEDRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000439677201 865011020 /nfs/dbraw/zinc/01/10/20/865011020.db2.gz WPZXONRFZNMRSA-AWEZNQCLSA-N 0 0 407.449 4.279 20 30 HIEDRN N#CCC[C@H](NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)c1ccccc1 ZINC000439679910 865014644 /nfs/dbraw/zinc/01/46/44/865014644.db2.gz YSJHYIRHDBYXAU-HKUYNNGSSA-N 0 0 416.447 4.478 20 30 HIEDRN CCCc1c(NC(=O)NCCc2cc(F)ccc2F)cnn1-c1cccc(C#N)c1 ZINC000439679997 865014787 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N#C[C@H]1N(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCC[C@]12CCCCO2 ZINC000468131332 881977215 /nfs/dbraw/zinc/97/72/15/881977215.db2.gz QYAUBVQKHPEADR-ZJSXRUAMSA-N 0 0 403.482 4.006 20 30 HIEDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000441377110 866446980 /nfs/dbraw/zinc/44/69/80/866446980.db2.gz LWNZOEOIHBXLMF-CHWSQXEVSA-N 0 0 404.297 4.454 20 30 HIEDRN CC(C)(C#N)CCCS(=O)(=O)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441385458 866458156 /nfs/dbraw/zinc/45/81/56/866458156.db2.gz OHIZCIITUHKOOE-UHFFFAOYSA-N 0 0 422.348 4.151 20 30 HIEDRN C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(OC(F)(F)F)c1 ZINC000441416043 866489673 /nfs/dbraw/zinc/48/96/73/866489673.db2.gz PQZNDAGICYOWMZ-OAHLLOKOSA-N 0 0 418.419 4.050 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000441441042 866516936 /nfs/dbraw/zinc/51/69/36/866516936.db2.gz QZTUUWSXSNBQLT-XFQAVAEZSA-N 0 0 407.539 4.317 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000441483700 866565123 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CCOCCO[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)C1 ZINC000441728263 866823498 /nfs/dbraw/zinc/82/34/98/866823498.db2.gz QPUMCWNSDVXLLN-FQEVSTJZSA-N 0 0 414.889 4.272 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC000441742654 866830611 /nfs/dbraw/zinc/83/06/11/866830611.db2.gz YORHVTUVWVRWHN-IEBWSBKVSA-N 0 0 415.415 4.358 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441759186 866838563 /nfs/dbraw/zinc/83/85/63/866838563.db2.gz GYTIPSMJZCEZIV-INIZCTEOSA-N 0 0 419.403 4.247 20 30 HIEDRN CCOc1ccc([C@@H](NC(=O)C(=O)Nc2cccc(C)c2C#N)c2ccccc2)cc1 ZINC000441785809 866857541 /nfs/dbraw/zinc/85/75/41/866857541.db2.gz HEGXFPUBVJNPNV-QHCPKHFHSA-N 0 0 413.477 4.110 20 30 HIEDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000441797377 866865705 /nfs/dbraw/zinc/86/57/05/866865705.db2.gz SVULCTPHFSKZOU-LBPRGKRZSA-N 0 0 404.923 4.258 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000441810587 866873527 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COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)Nc2cc(C)cc(F)c2)cc1 ZINC000446873159 870793275 /nfs/dbraw/zinc/79/32/75/870793275.db2.gz OJULERZUARYTNQ-UHFFFAOYSA-N 0 0 419.412 4.384 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@H](c3ccccc3F)C3CCCC3)cc2)c1N ZINC000446883031 870803792 /nfs/dbraw/zinc/80/37/92/870803792.db2.gz HYHJJHQJADFYMX-NRFANRHFSA-N 0 0 403.461 4.127 20 30 HIEDRN C[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000446926970 870839541 /nfs/dbraw/zinc/83/95/41/870839541.db2.gz CSFLKWONJBDAPR-IFXJQAMLSA-N 0 0 408.445 4.490 20 30 HIEDRN CN(C)Cc1ccsc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000446969157 870869251 /nfs/dbraw/zinc/86/92/51/870869251.db2.gz GQOMUNGFHFDTKF-UHFFFAOYSA-N 0 0 415.569 4.077 20 30 HIEDRN C=CCn1c(SC[C@@H](O)COCC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000447006722 870888492 /nfs/dbraw/zinc/88/84/92/870888492.db2.gz MUTIJEBBBOSYSW-INIZCTEOSA-N 0 0 416.568 4.109 20 30 HIEDRN N#Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000447009878 870889951 /nfs/dbraw/zinc/88/99/51/870889951.db2.gz DAKHTKORYMZDHB-UHFFFAOYSA-N 0 0 405.195 4.140 20 30 HIEDRN CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)c2ccccc21 ZINC000468489413 882467329 /nfs/dbraw/zinc/46/73/29/882467329.db2.gz WFSRIHITGJJZJE-NKKJXINNSA-N 0 0 415.537 4.093 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1C#N ZINC000447131046 871031943 /nfs/dbraw/zinc/03/19/43/871031943.db2.gz ZDJDAIRKXKZOPE-SJORKVTESA-N 0 0 410.449 4.453 20 30 HIEDRN CN(Cc1ccccc1-c1ccccc1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000447142051 871042697 /nfs/dbraw/zinc/04/26/97/871042697.db2.gz HRPXBLSOIJZYRJ-UHFFFAOYSA-N 0 0 403.869 4.476 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1ccc(C2CCC2)cc1 ZINC000447191300 871083310 /nfs/dbraw/zinc/08/33/10/871083310.db2.gz KWGDPFHLCGTFBH-UHFFFAOYSA-N 0 0 407.539 4.296 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000447257874 871134805 /nfs/dbraw/zinc/13/48/05/871134805.db2.gz BUGIJTCSQRZDRZ-INIZCTEOSA-N 0 0 410.886 4.124 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000447258146 871136422 /nfs/dbraw/zinc/13/64/22/871136422.db2.gz SEOXMNCDMAPLKR-HXUWFJFHSA-N 0 0 407.832 4.195 20 30 HIEDRN Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1F ZINC000447305027 871202101 /nfs/dbraw/zinc/20/21/01/871202101.db2.gz NIPCBPUDNJCVTG-UHFFFAOYSA-N 0 0 417.440 4.395 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl ZINC000447317596 871210022 /nfs/dbraw/zinc/21/00/22/871210022.db2.gz MVEKWBWHSNFJGP-DNVCBOLYSA-N 0 0 400.910 4.245 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)CNc1cc(C(=O)N(C)c2ccccc2)ccc1Cl ZINC000447342809 871241377 /nfs/dbraw/zinc/24/13/77/871241377.db2.gz VWNSCRVMILXNJB-MRXNPFEDSA-N 0 0 412.921 4.037 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)n1 ZINC000447359706 871264171 /nfs/dbraw/zinc/26/41/71/871264171.db2.gz NYFBIHRTAHJUMC-LBPRGKRZSA-N 0 0 412.446 4.096 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000447368201 871276507 /nfs/dbraw/zinc/27/65/07/871276507.db2.gz PKTCJBOHLHLMFM-IERDGZPVSA-N 0 0 414.347 4.136 20 30 HIEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000447373279 871281320 /nfs/dbraw/zinc/28/13/20/871281320.db2.gz KSJRPHPISICAIU-UHFFFAOYSA-N 0 0 414.284 4.331 20 30 HIEDRN Cc1cccc(OC[C@@H](O)CNC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000447386824 871296841 /nfs/dbraw/zinc/29/68/41/871296841.db2.gz SBMCPPDBMSUYCP-IBGZPJMESA-N 0 0 418.518 4.188 20 30 HIEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2C)CCCC1(C)C ZINC000447422906 871328364 /nfs/dbraw/zinc/32/83/64/871328364.db2.gz NXXVBMFFNKSGMI-IBGZPJMESA-N 0 0 408.502 4.109 20 30 HIEDRN Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000447425200 871329131 /nfs/dbraw/zinc/32/91/31/871329131.db2.gz BAGSEDFWSJGIDI-MRXNPFEDSA-N 0 0 409.795 4.269 20 30 HIEDRN C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CCCC1(C)C ZINC000447432106 871336304 /nfs/dbraw/zinc/33/63/04/871336304.db2.gz RUGLXKXRTPEEML-FQEVSTJZSA-N 0 0 423.513 4.372 20 30 HIEDRN Cc1cc(F)cc(-n2cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)nn2)c1 ZINC000447456447 871348302 /nfs/dbraw/zinc/34/83/02/871348302.db2.gz AWVSDJKNGFPCTL-OAHLLOKOSA-N 0 0 404.232 4.016 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447461021 871351090 /nfs/dbraw/zinc/35/10/90/871351090.db2.gz MNBLLSMCJOAFMK-UHFFFAOYSA-N 0 0 420.271 4.181 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCc3csc(CCc4ccccc4)n3)on2)c1 ZINC000447502776 871378423 /nfs/dbraw/zinc/37/84/23/871378423.db2.gz VJEIXGLVJFDIMQ-UHFFFAOYSA-N 0 0 414.490 4.385 20 30 HIEDRN N#C[C@]1(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CCc2ccccc2C1 ZINC000447535680 871401300 /nfs/dbraw/zinc/40/13/00/871401300.db2.gz HRQAGMMOMIMDRG-QHCPKHFHSA-N 0 0 405.404 4.333 20 30 HIEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccnn1CC(F)F ZINC000447545774 871417314 /nfs/dbraw/zinc/41/73/14/871417314.db2.gz XTCKJPARBJEQOB-GFCCVEGCSA-N 0 0 401.257 4.200 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)on2)c1 ZINC000447548179 871421771 /nfs/dbraw/zinc/42/17/71/871421771.db2.gz HBYIXIPSIBZPIZ-LJQANCHMSA-N 0 0 401.470 4.332 20 30 HIEDRN CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2c1 ZINC000447681289 871614165 /nfs/dbraw/zinc/61/41/65/871614165.db2.gz XYPKACDEIVNYSW-QGZVFWFLSA-N 0 0 402.458 4.224 20 30 HIEDRN N#Cc1ccc(CCC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 ZINC000447695056 871634029 /nfs/dbraw/zinc/63/40/29/871634029.db2.gz VJLQGRMEDUFEMF-UHFFFAOYSA-N 0 0 412.331 4.356 20 30 HIEDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447708308 871649404 /nfs/dbraw/zinc/64/94/04/871649404.db2.gz GJBGKUQVWMHORO-HNNXBMFYSA-N 0 0 419.300 4.456 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447710350 871651708 /nfs/dbraw/zinc/65/17/08/871651708.db2.gz OULVLXOAAZLAMA-LJQANCHMSA-N 0 0 407.367 4.068 20 30 HIEDRN N#CCCCOc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447778265 871707441 /nfs/dbraw/zinc/70/74/41/871707441.db2.gz OVPGUETVGWGJOA-UHFFFAOYSA-N 0 0 402.369 4.328 20 30 HIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCCC[C@H]2C[C@H](C)O)c1C#N ZINC000447842763 871767577 /nfs/dbraw/zinc/76/75/77/871767577.db2.gz CUWZCCZXGDHRCC-JXFKEZNVSA-N 0 0 400.567 4.046 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000447856154 871773087 /nfs/dbraw/zinc/77/30/87/871773087.db2.gz YJIPVSLDOGQCTG-HXUWFJFHSA-N 0 0 419.422 4.253 20 30 HIEDRN CCCN([C@H](C)C(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447883293 871798357 /nfs/dbraw/zinc/79/83/57/871798357.db2.gz SBTVZIAWADBLFA-XXBNENTESA-N 0 0 418.541 4.101 20 30 HIEDRN CCCc1c(NCC(=O)Nc2ccccc2SCC#N)cnn1-c1cc(C)ccn1 ZINC000447892685 871805316 /nfs/dbraw/zinc/80/53/16/871805316.db2.gz WUGKTHRXCLPYHK-UHFFFAOYSA-N 0 0 420.542 4.195 20 30 HIEDRN N#C[C@@H]1N(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CCC[C@]12CCCCO2 ZINC000447909312 871810398 /nfs/dbraw/zinc/81/03/98/871810398.db2.gz BKYGVSFVKCBPRF-MAUKXSAKSA-N 0 0 415.843 4.225 20 30 HIEDRN COc1ccc(-n2c(CN3CCC[C@]4(CCCCO4)[C@@H]3C#N)nc3ccccc32)cc1 ZINC000447912657 871811838 /nfs/dbraw/zinc/81/18/38/871811838.db2.gz KKESYJMREUNGIL-UKILVPOCSA-N 0 0 416.525 4.461 20 30 HIEDRN N#C[C@H]1N(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CCC[C@@]12CCCCO2 ZINC000447916115 871813284 /nfs/dbraw/zinc/81/32/84/871813284.db2.gz OGPSHKLQAMEBDI-APWZRJJASA-N 0 0 407.301 4.471 20 30 HIEDRN N#C[C@H]1N(Cc2cccc(Br)c2OC(F)F)CCC[C@]12CCCCO2 ZINC000447918485 871813329 /nfs/dbraw/zinc/81/33/29/871813329.db2.gz SOBUNBVCABJWEW-CRAIPNDOSA-N 0 0 415.278 4.478 20 30 HIEDRN CCCCOc1ccc(-c2nnc(CN3CCC[C@]4(CCCCO4)[C@@H]3C#N)o2)cc1 ZINC000447924520 871815667 /nfs/dbraw/zinc/81/56/67/871815667.db2.gz WFZINMVNYFZVBT-NZQKXSOJSA-N 0 0 410.518 4.343 20 30 HIEDRN C=CCOc1ccc(CNc2nnc(SCc3ccc(C#N)cc3)s2)cc1OC ZINC000447949688 871820276 /nfs/dbraw/zinc/82/02/76/871820276.db2.gz ZPSHMEFDOPGHNS-UHFFFAOYSA-N 0 0 424.551 4.888 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NCc3ccc(OC(F)F)c(F)c3)s2)cc1 ZINC000447951829 871821739 /nfs/dbraw/zinc/82/17/39/871821739.db2.gz GKWSXPKRVLUKNP-UHFFFAOYSA-N 0 0 422.457 5.055 20 30 HIEDRN C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccc(Oc3cccc(C#N)c3)cc1)C[C@@H](C)O2 ZINC000447976606 871831719 /nfs/dbraw/zinc/83/17/19/871831719.db2.gz KOBAUMSNESGADE-SAHWJRBASA-N 0 0 407.470 4.151 20 30 HIEDRN C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cccc(Oc3ccc(C#N)cc3)c1)C[C@@H](C)O2 ZINC000447980492 871833632 /nfs/dbraw/zinc/83/36/32/871833632.db2.gz XKBCSAMVXYNZIS-SAHWJRBASA-N 0 0 407.470 4.151 20 30 HIEDRN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000448013065 871855863 /nfs/dbraw/zinc/85/58/63/871855863.db2.gz LMYXOOFDSKVNLZ-UUOWRZLLSA-N 0 0 407.514 4.062 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2cccc3c2OCC[C@@H]3OC)cc(OC)c1OC ZINC000448058312 871886591 /nfs/dbraw/zinc/88/65/91/871886591.db2.gz LVQHUFWGLPAHBE-IBGZPJMESA-N 0 0 412.486 4.224 20 30 HIEDRN COc1cc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)ccc1C(F)(F)F ZINC000448063492 871889999 /nfs/dbraw/zinc/88/99/99/871889999.db2.gz AKQYBTDMDBNWEJ-SFHVURJKSA-N 0 0 405.376 4.191 20 30 HIEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1ccccc1SCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000468533043 882559814 /nfs/dbraw/zinc/55/98/14/882559814.db2.gz YPNOTUJMBDOXQF-QZTZHPFYSA-N 0 0 422.550 4.259 20 30 HIEDRN C[C@H]1OCC[C@@]12CN(C(=O)c1ccccc1Sc1ccccc1C#N)C[C@@H](C)O2 ZINC000468534206 882562105 /nfs/dbraw/zinc/56/21/05/882562105.db2.gz CGPBOGRTLBSQOA-SEPYTNNBSA-N 0 0 408.523 4.118 20 30 HIEDRN CCC(C)(C)c1ccc(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000448118676 871981841 /nfs/dbraw/zinc/98/18/41/871981841.db2.gz IHUBPSHFHXQYNO-OSPHWJPCSA-N 0 0 402.498 4.252 20 30 HIEDRN C[C@H](c1ccccc1)N(C)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000448137808 872013845 /nfs/dbraw/zinc/01/38/45/872013845.db2.gz GDYVZZDTLNHMIL-MRXNPFEDSA-N 0 0 403.442 4.205 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC000448139260 872014978 /nfs/dbraw/zinc/01/49/78/872014978.db2.gz YLMDGDDXOKUOTM-SFHVURJKSA-N 0 0 418.946 4.230 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448184684 872060845 /nfs/dbraw/zinc/06/08/45/872060845.db2.gz HPPGXCJJIKAXDX-UHFFFAOYSA-N 0 0 416.930 4.382 20 30 HIEDRN C[C@H](c1nccs1)N1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000468544128 882584632 /nfs/dbraw/zinc/58/46/32/882584632.db2.gz UMKBESFOJAHOHD-LJQANCHMSA-N 0 0 418.566 4.473 20 30 HIEDRN C=CCOc1cccc(CNCc2noc(-c3cccc(Br)c3)n2)c1 ZINC000448271235 872194895 /nfs/dbraw/zinc/19/48/95/872194895.db2.gz QFQHVFDSAQFUIN-UHFFFAOYSA-N 0 0 400.276 4.354 20 30 HIEDRN N#C[C@@H]1N(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCC[C@]12CCCCO2 ZINC000448275909 872196364 /nfs/dbraw/zinc/19/63/64/872196364.db2.gz NKSSBNPBOAAHNA-LEWJYISDSA-N 0 0 418.463 4.377 20 30 HIEDRN N#C[C@@H]1N(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCC[C@@]12CCCCO2 ZINC000448276378 872198566 /nfs/dbraw/zinc/19/85/66/872198566.db2.gz RDBYIMAAARHHLJ-ICSRJNTNSA-N 0 0 415.335 4.266 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448284216 872210966 /nfs/dbraw/zinc/21/09/66/872210966.db2.gz SRWOPQKAHGCHIN-UHFFFAOYSA-N 0 0 409.715 4.401 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448285552 872214421 /nfs/dbraw/zinc/21/44/21/872214421.db2.gz MGMGWPJWYYUATF-ZDUSSCGKSA-N 0 0 400.360 4.169 20 30 HIEDRN CCc1c(C(=O)Nc2ccccc2SCCC#N)nnn1Cc1ccc(F)cc1 ZINC000448348918 872295155 /nfs/dbraw/zinc/29/51/55/872295155.db2.gz PNPIMYLPGIIERA-UHFFFAOYSA-N 0 0 409.490 4.286 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000448411447 872366345 /nfs/dbraw/zinc/36/63/45/872366345.db2.gz BMQJDCWUSZBVIV-WOJBJXKFSA-N 0 0 405.498 4.285 20 30 HIEDRN COc1cc2c(cc1CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)O[C@H](C)C2 ZINC000448527038 872523432 /nfs/dbraw/zinc/52/34/32/872523432.db2.gz GOXUJXRKPSCUPT-QGZVFWFLSA-N 0 0 407.514 4.258 20 30 HIEDRN C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)c2ccccc2NC1=O ZINC000460103381 872562657 /nfs/dbraw/zinc/56/26/57/872562657.db2.gz DZZLHQPHIDARNY-KRWDZBQOSA-N 0 0 411.461 4.372 20 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HIEDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000460324425 872923817 /nfs/dbraw/zinc/92/38/17/872923817.db2.gz AMBBTVQCZKKUPQ-INIZCTEOSA-N 0 0 402.498 4.256 20 30 HIEDRN CCC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 ZINC000460329591 872934178 /nfs/dbraw/zinc/93/41/78/872934178.db2.gz CUCBDOHTLRJSSQ-LJQANCHMSA-N 0 0 409.917 4.393 20 30 HIEDRN Cc1csc(=O)n1CCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000460339673 872950342 /nfs/dbraw/zinc/95/03/42/872950342.db2.gz PLLAGFANFADSJH-UHFFFAOYSA-N 0 0 411.914 4.367 20 30 HIEDRN COCCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000460355614 872978535 /nfs/dbraw/zinc/97/85/35/872978535.db2.gz WYIBOYQRMYHOFX-UHFFFAOYSA-N 0 0 405.498 4.370 20 30 HIEDRN COCCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1ccc(C#N)cc1 ZINC000460358595 872983619 /nfs/dbraw/zinc/98/36/19/872983619.db2.gz COPAHUCAAHBMAT-UHFFFAOYSA-N 0 0 415.280 4.344 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1Cl ZINC000468588681 882673916 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C=C(C)Cn1c(COCC)nnc1N1CCc2c(Br)cccc2[C@@H]1C ZINC000460370699 873006255 /nfs/dbraw/zinc/00/62/55/873006255.db2.gz MYXKXNSAIICDAW-AWEZNQCLSA-N 0 0 405.340 4.277 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000460372527 873009059 /nfs/dbraw/zinc/00/90/59/873009059.db2.gz FHDFJFRDXLAZQL-FQEVSTJZSA-N 0 0 413.481 4.463 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 ZINC000460372637 873009169 /nfs/dbraw/zinc/00/91/69/873009169.db2.gz RSNSYZOTORTELS-GOSISDBHSA-N 0 0 414.550 4.324 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000460374473 873012261 /nfs/dbraw/zinc/01/22/61/873012261.db2.gz LIHWOOXCAWIPPI-UHFFFAOYSA-N 0 0 418.545 4.225 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H](COC)C1 ZINC000460374395 873012631 /nfs/dbraw/zinc/01/26/31/873012631.db2.gz HUMNHYKUOVQEJW-ROUUACIJSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCC)c(OCC)cc2C1 ZINC000460376587 873015877 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C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000460555056 873271573 /nfs/dbraw/zinc/27/15/73/873271573.db2.gz DMIDTGAGBUSSMZ-FUHWJXTLSA-N 0 0 417.435 4.180 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(CCO)Cc1ccccc1 ZINC000460556017 873272728 /nfs/dbraw/zinc/27/27/28/873272728.db2.gz GZJWEIXIWMUOEE-GOSISDBHSA-N 0 0 410.493 4.132 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](c2nncn2CC)C1 ZINC000460555955 873273192 /nfs/dbraw/zinc/27/31/92/873273192.db2.gz GGAAUNNSVPYLJM-SFHVURJKSA-N 0 0 417.517 4.263 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC000460557112 873274655 /nfs/dbraw/zinc/27/46/55/873274655.db2.gz IDSYVXSLIZDXON-UHFFFAOYSA-N 0 0 414.513 4.085 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000460556287 873276393 /nfs/dbraw/zinc/27/63/93/873276393.db2.gz LRZRSFVYGIDKOM-HXUWFJFHSA-N 0 0 416.953 4.055 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCCN(c2ccccc2)CC1 ZINC000460557389 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ZINC000460785271 873642689 /nfs/dbraw/zinc/64/26/89/873642689.db2.gz SNARRPVMTYKKFS-UHFFFAOYSA-N 0 0 411.412 4.270 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000460789657 873652483 /nfs/dbraw/zinc/65/24/83/873652483.db2.gz YRAQMSPIPGGJNY-UNMCSNQZSA-N 0 0 422.504 4.193 20 30 HIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000460790000 873652884 /nfs/dbraw/zinc/65/28/84/873652884.db2.gz CZYNJAHOANFTFI-DHIUTWEWSA-N 0 0 416.525 4.094 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000460791234 873656508 /nfs/dbraw/zinc/65/65/08/873656508.db2.gz GPKXQTGEIURKBR-GOSISDBHSA-N 0 0 421.545 4.387 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460793840 873660096 /nfs/dbraw/zinc/66/00/96/873660096.db2.gz MKNBAFXAFBGCAI-JTSKRJEESA-N 0 0 420.561 4.312 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]1c1nncn1C ZINC000460794463 873662708 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423.561 4.027 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000460816196 873696659 /nfs/dbraw/zinc/69/66/59/873696659.db2.gz RHCQSOLYOPGJQS-SFTDATJTSA-N 0 0 423.561 4.027 20 30 HIEDRN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000460831230 873719038 /nfs/dbraw/zinc/71/90/38/873719038.db2.gz RQVQGSRWHWRKSV-UHFFFAOYSA-N 0 0 421.478 4.134 20 30 HIEDRN CC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CCC(C)CC1 ZINC000460866669 873771972 /nfs/dbraw/zinc/77/19/72/873771972.db2.gz UDJLJXWGHTXZQJ-QLOJAFMTSA-N 0 0 407.562 4.227 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)c1nnc(-c2ncccc2C)n1C[C@H]1CCCO1 ZINC000460903816 873812692 /nfs/dbraw/zinc/81/26/92/873812692.db2.gz GKRANQNUFBMCKR-OAQYLSRUSA-N 0 0 403.530 4.410 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)C)CC1 ZINC000460911012 873817504 /nfs/dbraw/zinc/81/75/04/873817504.db2.gz KSISUPJGRRLKQB-UHFFFAOYSA-N 0 0 413.591 4.291 20 30 HIEDRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 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KBDJWSWOCCBPCR-QGZVFWFLSA-N 0 0 423.952 4.096 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC000460935445 873836654 /nfs/dbraw/zinc/83/66/54/873836654.db2.gz CLJWLZNNJKVITA-ROUUACIJSA-N 0 0 414.550 4.397 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000460938021 873839125 /nfs/dbraw/zinc/83/91/25/873839125.db2.gz PLXKCTXXCLSDSL-CZYKHXBRSA-N 0 0 408.546 4.105 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCCC[C@H](CCOC)C1 ZINC000460938917 873840283 /nfs/dbraw/zinc/84/02/83/873840283.db2.gz RDUBHTPZUBEFQF-LJQANCHMSA-N 0 0 414.550 4.085 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N(C)[C@@H]1CCSC1 ZINC000460941294 873841681 /nfs/dbraw/zinc/84/16/81/873841681.db2.gz SEVNYLXUJVRTRE-DLBZAZTESA-N 0 0 402.564 4.335 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000460944378 873843607 /nfs/dbraw/zinc/84/36/07/873843607.db2.gz FBXUNPDZCFIJIO-KKSFZXQISA-N 0 0 411.937 4.682 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000460944096 873843752 /nfs/dbraw/zinc/84/37/52/873843752.db2.gz PQRDLMZFKHAFGR-KRWDZBQOSA-N 0 0 419.558 4.285 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Cl)ccc2Cl)nnc1N1CCC[C@@H]1c1nncn1C ZINC000460945694 873844578 /nfs/dbraw/zinc/84/45/78/873844578.db2.gz WQVADDWJBIQJJY-MRXNPFEDSA-N 0 0 418.332 4.298 20 30 HIEDRN C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](SC)C1 ZINC000460946626 873844719 /nfs/dbraw/zinc/84/47/19/873844719.db2.gz ZJAXRBPAJSYYGS-FQEVSTJZSA-N 0 0 400.592 4.370 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1ccccc1 ZINC000460947198 873845793 /nfs/dbraw/zinc/84/57/93/873845793.db2.gz FHRWRBWJGXQTII-LJQANCHMSA-N 0 0 417.561 4.226 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H](C)c1cnn(C)c1 ZINC000460948367 873846693 /nfs/dbraw/zinc/84/66/93/873846693.db2.gz JZZQKIKCRBBWLC-MRXNPFEDSA-N 0 0 412.563 4.086 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000460950542 873848627 /nfs/dbraw/zinc/84/86/27/873848627.db2.gz GGFRGAJALOKGQM-GOSISDBHSA-N 0 0 423.586 4.222 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC[C@@H]1C ZINC000460950846 873849672 /nfs/dbraw/zinc/84/96/72/873849672.db2.gz HFBGIJCXZZQZAX-KRWDZBQOSA-N 0 0 406.534 4.191 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000460951187 873849708 /nfs/dbraw/zinc/84/97/08/873849708.db2.gz VLUJAZKSMWNHRE-ICSRJNTNSA-N 0 0 419.529 4.068 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000460952714 873850633 /nfs/dbraw/zinc/85/06/33/873850633.db2.gz QLXRQBKLHSJIRE-UHFFFAOYSA-N 0 0 404.470 4.179 20 30 HIEDRN C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000460953713 873851663 /nfs/dbraw/zinc/85/16/63/873851663.db2.gz TYWSWJCBIOSNIN-OAQYLSRUSA-N 0 0 424.570 4.375 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2c(nnc2C(C)C)C1 ZINC000460954667 873852320 /nfs/dbraw/zinc/85/23/20/873852320.db2.gz CNXVAFOCLHEWOK-UHFFFAOYSA-N 0 0 415.904 4.049 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000460955186 873852628 /nfs/dbraw/zinc/85/26/28/873852628.db2.gz DIALEJIIEIMYKM-HXUWFJFHSA-N 0 0 405.502 4.275 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCOC)Cc1ccccc1 ZINC000460955070 873852945 /nfs/dbraw/zinc/85/29/45/873852945.db2.gz WUSBADFTTRWBOL-QFIPXVFZSA-N 0 0 420.513 4.020 20 30 HIEDRN C=C(C)Cn1c(CCCOc2ccc(Cl)cc2C)nnc1N(C)[C@@H]1CCOC1 ZINC000460956195 873853371 /nfs/dbraw/zinc/85/33/71/873853371.db2.gz DRFCTNZSZBXWIN-GOSISDBHSA-N 0 0 404.942 4.053 20 30 HIEDRN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000460956746 873854318 /nfs/dbraw/zinc/85/43/18/873854318.db2.gz ITRTUKPGHSVLSM-FQEVSTJZSA-N 0 0 423.609 4.289 20 30 HIEDRN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](OC)C[C@H]1C ZINC000460957571 873855453 /nfs/dbraw/zinc/85/54/53/873855453.db2.gz LELGIDDVIOGPDE-SJORKVTESA-N 0 0 402.564 4.159 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(CCC)C[C@@H]1CCCCO1 ZINC000460958857 873856540 /nfs/dbraw/zinc/85/65/40/873856540.db2.gz NPCBWMRDHVRYDY-SFHVURJKSA-N 0 0 414.550 4.324 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000460961282 873858108 /nfs/dbraw/zinc/85/81/08/873858108.db2.gz UOABCXDQAALOOA-UHFFFAOYSA-N 0 0 421.589 4.248 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCCc2ccccc2C1 ZINC000460961434 873858550 /nfs/dbraw/zinc/85/85/50/873858550.db2.gz VRPFSGUXQGVPKP-UHFFFAOYSA-N 0 0 404.514 4.491 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOC[C@@H](C)C1 ZINC000460961942 873858573 /nfs/dbraw/zinc/85/85/73/873858573.db2.gz VCOGOMPWOFWIKU-AWEZNQCLSA-N 0 0 411.333 4.213 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000460962909 873859462 /nfs/dbraw/zinc/85/94/62/873859462.db2.gz XEPNWCVPPYGHCJ-GUYCJALGSA-N 0 0 411.333 4.446 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N(C)C1CCCC1 ZINC000460963117 873860301 /nfs/dbraw/zinc/86/03/01/873860301.db2.gz OBOAYXVFQUHIRQ-UHFFFAOYSA-N 0 0 406.534 4.020 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCc2cccc(F)c2C1 ZINC000460963585 873860487 /nfs/dbraw/zinc/86/04/87/873860487.db2.gz OSXBLPYPKGJYGZ-UHFFFAOYSA-N 0 0 408.477 4.240 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000460963908 873860772 /nfs/dbraw/zinc/86/07/72/873860772.db2.gz PVBFEROKMSMRKN-DLBZAZTESA-N 0 0 402.564 4.162 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC000460964947 873861750 /nfs/dbraw/zinc/86/17/50/873861750.db2.gz WHNRAQYSANNXDS-UHFFFAOYSA-N 0 0 408.502 4.261 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000460965426 873862879 /nfs/dbraw/zinc/86/28/79/873862879.db2.gz ZPJZZSIFBINLHR-VQIMIIECSA-N 0 0 423.492 4.104 20 30 HIEDRN CCC(CC)(CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000460993724 873877246 /nfs/dbraw/zinc/87/72/46/873877246.db2.gz OJCYJPPUNUTKFD-UHFFFAOYSA-N 0 0 409.530 4.475 20 30 HIEDRN N#C[C@@H]1N(C(=O)CCCOc2cccc(Br)c2)CCC[C@@]12CCCCO2 ZINC000468637573 882769910 /nfs/dbraw/zinc/76/99/10/882769910.db2.gz JPNLREPRSHMZPP-ICSRJNTNSA-N 0 0 421.335 4.062 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCC[C@@]12CCCCO2 ZINC000468637102 882770345 /nfs/dbraw/zinc/77/03/45/882770345.db2.gz GRESPTARZRIBHL-PXNSSMCTSA-N 0 0 403.454 4.156 20 30 HIEDRN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000461037316 873898418 /nfs/dbraw/zinc/89/84/18/873898418.db2.gz LEGBDNJNZMLMCZ-UHFFFAOYSA-N 0 0 421.478 4.283 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO1 ZINC000461042129 873900954 /nfs/dbraw/zinc/90/09/54/873900954.db2.gz LFZFUMGMDTVBOU-INIZCTEOSA-N 0 0 403.889 4.047 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4cc(Cl)ccc4C3)n2C[C@@H]2CCCO2)c1 ZINC000461057212 873932162 /nfs/dbraw/zinc/93/21/62/873932162.db2.gz JPDGFYDYNQHZRJ-NRFANRHFSA-N 0 0 419.916 4.212 20 30 HIEDRN N#C[C@H]1N(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CCC[C@@]12CCCCO2 ZINC000468640352 882775373 /nfs/dbraw/zinc/77/53/73/882775373.db2.gz WUDPSPQZTSHOAT-KDOFPFPSSA-N 0 0 415.342 4.472 20 30 HIEDRN C=CCN(c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCCO1)C1CC1 ZINC000461064985 873946918 /nfs/dbraw/zinc/94/69/18/873946918.db2.gz LBFIPXJCWHTVRR-HNNXBMFYSA-N 0 0 421.314 4.181 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCO1 ZINC000461066628 873947862 /nfs/dbraw/zinc/94/78/62/873947862.db2.gz ZRKNHJWMZYRPQD-NRFANRHFSA-N 0 0 419.554 4.174 20 30 HIEDRN C=CCN(c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1)C1CC1 ZINC000461070445 873960385 /nfs/dbraw/zinc/96/03/85/873960385.db2.gz UTKJFLHZBFVHMZ-INIZCTEOSA-N 0 0 423.344 4.498 20 30 HIEDRN CCC(CC)(CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000461071362 873965140 /nfs/dbraw/zinc/96/51/40/873965140.db2.gz APELXYHJMAQPIW-KRWDZBQOSA-N 0 0 410.514 4.217 20 30 HIEDRN COc1cccc(OC)c1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000461099382 874017982 /nfs/dbraw/zinc/01/79/82/874017982.db2.gz FGAMSKNWGMVRTB-HXUWFJFHSA-N 0 0 402.450 4.277 20 30 HIEDRN Cc1ccc(CCC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(Br)c1 ZINC000468651076 882786198 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Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)s1 ZINC000468660737 882796731 /nfs/dbraw/zinc/79/67/31/882796731.db2.gz IUZYGSUMMCYASU-NFBKMPQASA-N 0 0 409.555 4.423 20 30 HIEDRN Cc1cc(F)cc2c1CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCCO1)CC2 ZINC000461166493 874131259 /nfs/dbraw/zinc/13/12/59/874131259.db2.gz ZKROIHSZQUUBOX-OAQYLSRUSA-N 0 0 417.488 4.006 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO1 ZINC000461170271 874138963 /nfs/dbraw/zinc/13/89/63/874138963.db2.gz NYRZOSWWRNELJF-CQSZACIVSA-N 0 0 403.939 4.360 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO1 ZINC000461170263 874139276 /nfs/dbraw/zinc/13/92/76/874139276.db2.gz NYRZOSWWRNELJF-AWEZNQCLSA-N 0 0 403.939 4.360 20 30 HIEDRN Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCOc4ccc(C#N)cc4)cc3)o2)cc1 ZINC000461171245 874141723 /nfs/dbraw/zinc/14/17/23/874141723.db2.gz UOMLNYPFBYSZRV-UHFFFAOYSA-N 0 0 424.460 4.393 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)c3occc3CSc3ccccc3)CC2)c1C#N ZINC000461187044 874177877 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20 30 HIEDRN CCC[C@H](C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461636317 874794258 /nfs/dbraw/zinc/79/42/58/874794258.db2.gz XNXODQWGZKRAOU-RCZSKKKRSA-N 0 0 423.561 4.170 20 30 HIEDRN CCOc1c(OC)cc(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OC ZINC000468795568 882863955 /nfs/dbraw/zinc/86/39/55/882863955.db2.gz BYFXREUIZBERSV-UHFFFAOYSA-N 0 0 423.513 4.298 20 30 HIEDRN N#Cc1ccc(OCc2nnc(N3CCC[C@H]3C3CCC3)n2C[C@@H]2CCCCO2)cc1 ZINC000461658731 874812563 /nfs/dbraw/zinc/81/25/63/874812563.db2.gz GQSZVLQWHVXATP-VXKWHMMOSA-N 0 0 421.545 4.067 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000461676082 874826267 /nfs/dbraw/zinc/82/62/67/874826267.db2.gz VWNPHCIHPQMRNG-GOSISDBHSA-N 0 0 405.502 4.263 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 ZINC000461681682 874832523 /nfs/dbraw/zinc/83/25/23/874832523.db2.gz FDQOLTAKNXEIRQ-UHFFFAOYSA-N 0 0 423.498 4.170 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCOC1 ZINC000461691447 874841567 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HIEDRN C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000461741601 874886361 /nfs/dbraw/zinc/88/63/61/874886361.db2.gz FEIHNDXPYVUFDE-LBPRGKRZSA-N 0 0 423.822 4.431 20 30 HIEDRN CCCCCc1ccc(C(=O)CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000461748205 874889555 /nfs/dbraw/zinc/88/95/55/874889555.db2.gz JJUFXAFNOKHILU-UHFFFAOYSA-N 0 0 415.497 4.473 20 30 HIEDRN Cc1cc(Br)ccc1NC(=O)CCNc1nc(C)c(C#N)cc1Cl ZINC000461777006 874901585 /nfs/dbraw/zinc/90/15/85/874901585.db2.gz FCPOFZHIYZEJHZ-UHFFFAOYSA-N 0 0 407.699 4.427 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)COc2ccc(Br)cc2C#N)c1C ZINC000468819564 882875108 /nfs/dbraw/zinc/87/51/08/882875108.db2.gz DMKARZLTHLLBBO-UHFFFAOYSA-N 0 0 412.287 4.263 20 30 HIEDRN Cc1nc(N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)cc1C#N ZINC000461789314 874906436 /nfs/dbraw/zinc/90/64/36/874906436.db2.gz ZSHKUNRMAQLZIW-CQSZACIVSA-N 0 0 401.873 4.092 20 30 HIEDRN CCCn1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc2ccccc21 ZINC000468820897 882875919 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20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCO1 ZINC000461837126 874971770 /nfs/dbraw/zinc/97/17/70/874971770.db2.gz XNNJARJUVJTCJJ-FQEVSTJZSA-N 0 0 412.559 4.328 20 30 HIEDRN C=CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCCCO1)C1CC1 ZINC000461839454 874975962 /nfs/dbraw/zinc/97/59/62/874975962.db2.gz TVPANRODNXOWJI-SJLPKXTDSA-N 0 0 400.498 4.281 20 30 HIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCO1 ZINC000461840968 874978109 /nfs/dbraw/zinc/97/81/09/874978109.db2.gz MOCUQLYZBZPFNH-FQEVSTJZSA-N 0 0 422.529 4.351 20 30 HIEDRN N#CCCN(CC1CC1)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCCCO1 ZINC000461857102 875002969 /nfs/dbraw/zinc/00/29/69/875002969.db2.gz RWKOMMMLNGHZLD-FQEVSTJZSA-N 0 0 416.529 4.192 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000468839101 882884663 /nfs/dbraw/zinc/88/46/63/882884663.db2.gz FPHZXYOJVBNCSX-UHFFFAOYSA-N 0 0 420.313 4.391 20 30 HIEDRN C=CCN(CCc1ccccc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCO1 ZINC000461858452 875005633 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000462017792 875136050 /nfs/dbraw/zinc/13/60/50/875136050.db2.gz XOWATWSLZQDAFD-OAQYLSRUSA-N 0 0 418.476 4.640 20 30 HIEDRN C[C@@H](C(=O)N1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1)c1cccc(C#N)c1 ZINC000462029814 875145410 /nfs/dbraw/zinc/14/54/10/875145410.db2.gz FULWSZHLDAGMLF-SPLOXXLWSA-N 0 0 407.901 4.290 20 30 HIEDRN C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000462089167 875198793 /nfs/dbraw/zinc/19/87/93/875198793.db2.gz QPMOHQBGRINQCB-LBPRGKRZSA-N 0 0 400.364 4.040 20 30 HIEDRN C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1c(Cl)cccc1Cl ZINC000462091001 875200114 /nfs/dbraw/zinc/20/01/14/875200114.db2.gz HCESBDPKHDWJQL-GFCCVEGCSA-N 0 0 415.284 4.371 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000462098653 875208395 /nfs/dbraw/zinc/20/83/95/875208395.db2.gz VNZBIGFVXWLUCF-HSZRJFAPSA-N 0 0 422.492 4.667 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)cn1 ZINC000462099250 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411.310 4.016 20 30 HIEDRN N#CCCCC(=O)N1CCC(CCCC2CCN(C(=O)CCCC#N)CC2)CC1 ZINC000462147384 875243747 /nfs/dbraw/zinc/24/37/47/875243747.db2.gz UNEUTVUQHOONET-UHFFFAOYSA-N 0 0 400.567 4.022 20 30 HIEDRN COc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(Cl)c1Cl ZINC000462155946 875251005 /nfs/dbraw/zinc/25/10/05/875251005.db2.gz AUIINQRJZRIZHI-UHFFFAOYSA-N 0 0 413.326 4.473 20 30 HIEDRN CSc1cccc([C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2cc(F)ccc2F)c1 ZINC000462176913 875276310 /nfs/dbraw/zinc/27/63/10/875276310.db2.gz NAUZUJVWXMUULE-VXKWHMMOSA-N 0 0 417.525 4.420 20 30 HIEDRN CCOc1ccc(NC(=O)CNc2ccc(C#N)c(C(F)(F)F)c2)cc1OCC ZINC000462179558 875278345 /nfs/dbraw/zinc/27/83/45/875278345.db2.gz WOGILYIXAMWGGI-UHFFFAOYSA-N 0 0 407.392 4.425 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462199834 875307735 /nfs/dbraw/zinc/30/77/35/875307735.db2.gz OKAANBMSGHPNDP-PMACEKPBSA-N 0 0 402.416 4.276 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCCCO[C@H]3CCCc4ccccc43)on2)c1 ZINC000468880317 882916596 /nfs/dbraw/zinc/91/65/96/882916596.db2.gz FXJPARVTHBQBRV-QFIPXVFZSA-N 0 0 401.466 4.427 20 30 HIEDRN CC(C)N(CC(F)(F)F)C(=O)CNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000462212731 875319575 /nfs/dbraw/zinc/31/95/75/875319575.db2.gz PAIUOAUTRGQEOA-UHFFFAOYSA-N 0 0 405.420 4.348 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000462219802 875329057 /nfs/dbraw/zinc/32/90/57/875329057.db2.gz YBSDIEVLVOJFFD-UHFFFAOYSA-N 0 0 400.422 4.004 20 30 HIEDRN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000462228082 875336436 /nfs/dbraw/zinc/33/64/36/875336436.db2.gz BNGKCXPWTQPJRM-OAQYLSRUSA-N 0 0 408.889 4.322 20 30 HIEDRN N#Cc1cccc(OCCNc2ccc(CCn3cc(Br)cn3)cc2)c1 ZINC000462228112 875336988 /nfs/dbraw/zinc/33/69/88/875336988.db2.gz BSBUYWXFPQGQAY-UHFFFAOYSA-N 0 0 411.303 4.251 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000462253487 875375829 /nfs/dbraw/zinc/37/58/29/875375829.db2.gz FNOMVQFZZZCGQD-KRWDZBQOSA-N 0 0 419.506 4.410 20 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ODEDLFWDVJRQLA-PNJWGLBASA-N 0 0 403.526 4.277 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1 ZINC000464295473 877482426 /nfs/dbraw/zinc/48/24/26/877482426.db2.gz LKWMPJCOQBOLCW-UHFFFAOYSA-N 0 0 402.454 4.007 20 30 HIEDRN CCn1c(SCC(=O)N[C@@H](C#N)C(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000464300353 877488821 /nfs/dbraw/zinc/48/88/21/877488821.db2.gz GUCWRGVQTUFRGJ-AWEZNQCLSA-N 0 0 412.346 4.028 20 30 HIEDRN CC(C)[C@H](C#N)NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000464304148 877494441 /nfs/dbraw/zinc/49/44/41/877494441.db2.gz AWVWIAWDZXSNRC-SFHVURJKSA-N 0 0 419.403 4.001 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cc1Cl ZINC000464342819 877532154 /nfs/dbraw/zinc/53/21/54/877532154.db2.gz PEYLBYUNCMYHGI-HXUWFJFHSA-N 0 0 423.831 4.099 20 30 HIEDRN Cc1cc(Br)cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000464353614 877547602 /nfs/dbraw/zinc/54/76/02/877547602.db2.gz GRTQAPUFBHAQTM-UHFFFAOYSA-N 0 0 414.303 4.144 20 30 HIEDRN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000464369986 877569452 /nfs/dbraw/zinc/56/94/52/877569452.db2.gz SXKZFUZPVGEMEO-ZCFIWIBFSA-N 0 0 403.266 4.343 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000464396802 877598248 /nfs/dbraw/zinc/59/82/48/877598248.db2.gz JGHCHOKYDXHYPA-CYBMUJFWSA-N 0 0 413.861 4.454 20 30 HIEDRN C[C@H]1CCCN(c2cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)ccn2)C1 ZINC000464400427 877602375 /nfs/dbraw/zinc/60/23/75/877602375.db2.gz UUUNIPLJTVUDHH-KBXCAEBGSA-N 0 0 402.420 4.331 20 30 HIEDRN N#Cc1cc(NCC[C@@H]2CCCCO2)cc(NCC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000503276094 912258571 /nfs/dbraw/zinc/25/85/71/912258571.db2.gz PLIIVQZVUZAEMI-OALUTQOASA-N 0 0 402.495 4.209 20 30 HIEDRN CC#CCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000464439359 877653211 /nfs/dbraw/zinc/65/32/11/877653211.db2.gz OMJPSCQQVONHSF-IAGOWNOFSA-N 0 0 400.519 4.239 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2)c1cccc(C#N)c1 ZINC000464446209 877659953 /nfs/dbraw/zinc/65/99/53/877659953.db2.gz IOKJOORWLUNYNY-AWEZNQCLSA-N 0 0 401.491 4.477 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463242 877684718 /nfs/dbraw/zinc/68/47/18/877684718.db2.gz FHTOIBWOLKBWRD-QGZVFWFLSA-N 0 0 422.428 4.307 20 30 HIEDRN N#C[C@H](C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464466361 877689119 /nfs/dbraw/zinc/68/91/19/877689119.db2.gz LIFHNFSUEFXRNI-SFHVURJKSA-N 0 0 421.382 4.383 20 30 HIEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000464510536 877733745 /nfs/dbraw/zinc/73/37/45/877733745.db2.gz LMZLLDMUCKWUCB-CQSZACIVSA-N 0 0 407.380 4.055 20 30 HIEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC ZINC000464560373 877778722 /nfs/dbraw/zinc/77/87/22/877778722.db2.gz MRXJORAJZHEHTD-KRWDZBQOSA-N 0 0 416.543 4.451 20 30 HIEDRN Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000503294732 912276793 /nfs/dbraw/zinc/27/67/93/912276793.db2.gz FYBKEDASXIMQDD-QUCCMNQESA-N 0 0 421.566 4.419 20 30 HIEDRN N#Cc1ccc(NC(=O)c2ccc(I)cc2Cl)cc1F ZINC000464641546 877859720 /nfs/dbraw/zinc/85/97/20/877859720.db2.gz DJWYQXVURBZDQV-UHFFFAOYSA-N 0 0 400.578 4.208 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)CSCc2ccc(Cl)cc2Cl)n1 ZINC000464642844 877860639 /nfs/dbraw/zinc/86/06/39/877860639.db2.gz KFDQSLRKVINSAL-UHFFFAOYSA-N 0 0 418.309 4.318 20 30 HIEDRN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000464645628 877864734 /nfs/dbraw/zinc/86/47/34/877864734.db2.gz VUCUWBXALHNOJE-UHFFFAOYSA-N 0 0 420.885 4.477 20 30 HIEDRN C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000464660948 877881736 /nfs/dbraw/zinc/88/17/36/877881736.db2.gz HTKUVYPUIPSEFZ-MRXNPFEDSA-N 0 0 411.889 4.181 20 30 HIEDRN N#Cc1ccc(CC(=O)Nc2ncc(Cl)cc2C(=O)Cc2cccc(F)c2)cc1 ZINC000464701748 877921778 /nfs/dbraw/zinc/92/17/78/877921778.db2.gz GMWNYHJGVGJPNA-UHFFFAOYSA-N 0 0 407.832 4.352 20 30 HIEDRN Cc1cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)nn1-c1cccc(C#N)c1 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C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(C#N)cc1 ZINC000466822686 880595403 /nfs/dbraw/zinc/59/54/03/880595403.db2.gz CQTGTLFYLGURGA-CQSZACIVSA-N 0 0 411.889 4.206 20 30 HIEDRN N#Cc1cccc([C@@H]2CN(C(=O)NC3CC(c4ccc(F)c(Cl)c4)C3)CCO2)c1 ZINC000466847657 880617500 /nfs/dbraw/zinc/61/75/00/880617500.db2.gz GVTKIAOKZBXUKD-NGICGMGXSA-N 0 0 413.880 4.380 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccncc1OCC(F)(F)F ZINC000466855403 880624272 /nfs/dbraw/zinc/62/42/72/880624272.db2.gz BWAJKWNSLHEZJL-MSOLQXFVSA-N 0 0 418.419 4.004 20 30 HIEDRN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)CSCC#N ZINC000466918999 880687875 /nfs/dbraw/zinc/68/78/75/880687875.db2.gz WZLNLQGFSOXUAF-JTQLQIEISA-N 0 0 410.362 4.315 20 30 HIEDRN C=CCN(C(=O)N[C@@H](C)c1ccc(SC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000466925666 880695278 /nfs/dbraw/zinc/69/52/78/880695278.db2.gz HISUMVRNXHHPDL-DLBZAZTESA-N 0 0 422.558 4.404 20 30 HIEDRN Cc1nc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc1C ZINC000466958982 880744246 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HIEDRN CC(C)(C)c1nnc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1 ZINC000467362153 881128491 /nfs/dbraw/zinc/12/84/91/881128491.db2.gz MVEBXNLQTMXLPV-UHFFFAOYSA-N 0 0 406.511 4.216 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2c(Br)cccc2C1 ZINC000503575688 912656776 /nfs/dbraw/zinc/65/67/76/912656776.db2.gz INMSSHFBIHDTME-MRXNPFEDSA-N 0 0 412.331 4.143 20 30 HIEDRN N#Cc1ccc(F)cc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000469102232 883192878 /nfs/dbraw/zinc/19/28/78/883192878.db2.gz VALRQKCDZLFRHA-UHFFFAOYSA-N 0 0 416.294 4.311 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)c1scc(C)c1I ZINC000469113210 883203775 /nfs/dbraw/zinc/20/37/75/883203775.db2.gz CTCWLHLTIXANMV-UHFFFAOYSA-N 0 0 413.280 4.156 20 30 HIEDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000469115497 883207023 /nfs/dbraw/zinc/20/70/23/883207023.db2.gz BGGRUHLMMYMNOX-UHFFFAOYSA-N 0 0 419.353 4.259 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCc3cccc(COCC(F)(F)F)c3)on2)c1 ZINC000469122779 883217170 /nfs/dbraw/zinc/21/71/70/883217170.db2.gz 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COCCCC[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000472464021 887323817 /nfs/dbraw/zinc/32/38/17/887323817.db2.gz NAHXLBKNRDLLLF-XZOQPEGZSA-N 0 0 407.514 4.199 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000504288823 913142106 /nfs/dbraw/zinc/14/21/06/913142106.db2.gz HXOMDQDSNIFXKZ-LBPRGKRZSA-N 0 0 407.333 4.386 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000472549850 887431421 /nfs/dbraw/zinc/43/14/21/887431421.db2.gz SALYDKCUGOBSBQ-MAUKXSAKSA-N 0 0 407.283 4.477 20 30 HIEDRN COC[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(C)o1 ZINC000472688381 887543862 /nfs/dbraw/zinc/54/38/62/887543862.db2.gz DFRKWQCMCAKSPV-FQEVSTJZSA-N 0 0 418.453 4.221 20 30 HIEDRN CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H](COC)Cc1ccccc1 ZINC000472725370 887572217 /nfs/dbraw/zinc/57/22/17/887572217.db2.gz KUENHPVTYQUHPE-QGZVFWFLSA-N 0 0 403.429 4.271 20 30 HIEDRN C[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000472733776 887579129 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HIEDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000472912947 887758747 /nfs/dbraw/zinc/75/87/47/887758747.db2.gz DWZHCCLFHYMGPZ-CXAGYDPISA-N 0 0 417.387 4.088 20 30 HIEDRN N#Cc1ccc(OCC(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000472937205 887787382 /nfs/dbraw/zinc/78/73/82/887787382.db2.gz CEMIYLPXHGLFIE-UHFFFAOYSA-N 0 0 419.308 4.452 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000472943246 887792689 /nfs/dbraw/zinc/79/26/89/887792689.db2.gz MMBURVGPCOPWAV-UHFFFAOYSA-N 0 0 415.493 4.204 20 30 HIEDRN N#Cc1ccccc1OCC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472956578 887805421 /nfs/dbraw/zinc/80/54/21/887805421.db2.gz VRSHGDRWOSMKIT-UHFFFAOYSA-N 0 0 419.308 4.452 20 30 HIEDRN COc1cccc([C@H](NC(=O)NCc2ccc(C#N)cc2)c2cc(F)ccc2OC)c1 ZINC000472982476 887825507 /nfs/dbraw/zinc/82/55/07/887825507.db2.gz XXYLQFCACITAGC-QHCPKHFHSA-N 0 0 419.456 4.303 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000473031640 887853313 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C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1cc2cccc(F)c2o1 ZINC000473878266 888742922 /nfs/dbraw/zinc/74/29/22/888742922.db2.gz SNFXDGHXBCQRBP-VQIMIIECSA-N 0 0 406.461 4.052 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)Nc3c[nH]nc3-c3ccccn3)s2)cc1 ZINC000504479787 913275237 /nfs/dbraw/zinc/27/52/37/913275237.db2.gz CHINEAUSGOWVFU-UHFFFAOYSA-N 0 0 401.455 4.035 20 30 HIEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000473928221 888807131 /nfs/dbraw/zinc/80/71/31/888807131.db2.gz MXWNYADDTNFMEW-LJQANCHMSA-N 0 0 415.415 4.061 20 30 HIEDRN N#CC[C@@H](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000474079016 888904342 /nfs/dbraw/zinc/90/43/42/888904342.db2.gz JGJKYDJZBUEDNC-SFHVURJKSA-N 0 0 401.432 4.442 20 30 HIEDRN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000474107456 888928524 /nfs/dbraw/zinc/92/85/24/888928524.db2.gz QFOJGPLCSMZPOF-UHFFFAOYSA-N 0 0 418.419 4.158 20 30 HIEDRN CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)nc2)nc1-c1ccccc1 ZINC000474140446 888963125 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HIEDRN N#Cc1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccn1 ZINC000476420306 891332735 /nfs/dbraw/zinc/33/27/35/891332735.db2.gz VJAGUBWEKWUWFO-QHCPKHFHSA-N 0 0 416.912 4.154 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000476423106 891334545 /nfs/dbraw/zinc/33/45/45/891334545.db2.gz AOHWTDREESPHCY-IBGZPJMESA-N 0 0 418.305 4.328 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000476456384 891368009 /nfs/dbraw/zinc/36/80/09/891368009.db2.gz CYTRWIABNNDLPE-UHFFFAOYSA-N 0 0 423.582 4.430 20 30 HIEDRN C=CCn1c2nnc(S[C@H](C)c3ncc(C(C)(C)C)o3)n2c2ccccc2c1=O ZINC000476474845 891384591 /nfs/dbraw/zinc/38/45/91/891384591.db2.gz ABOXSEFDQXRTJK-CYBMUJFWSA-N 0 0 409.515 4.369 20 30 HIEDRN N#CC[C@H](CC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)c1ccccc1 ZINC000476484840 891394669 /nfs/dbraw/zinc/39/46/69/891394669.db2.gz RLXWMDMADDYCNM-YLJYHZDGSA-N 0 0 400.425 4.275 20 30 HIEDRN COC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccccc2C#N)nc1C1CC1 ZINC000504832831 913553273 /nfs/dbraw/zinc/55/32/73/913553273.db2.gz AIJLCQHBZPJJLX-UHFFFAOYSA-N 0 0 411.461 4.214 20 30 HIEDRN N#CC[C@H](CC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 ZINC000476540587 891454601 /nfs/dbraw/zinc/45/46/01/891454601.db2.gz GQMWJDRUILPYPK-DNVCBOLYSA-N 0 0 416.308 4.302 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000476631680 891568087 /nfs/dbraw/zinc/56/80/87/891568087.db2.gz MSGVHUPYAXIVJH-HNNXBMFYSA-N 0 0 407.499 4.495 20 30 HIEDRN COC(=O)[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000476648875 891588690 /nfs/dbraw/zinc/58/86/90/891588690.db2.gz OSXGKXCIRSOSSJ-KUHUBIRLSA-N 0 0 405.281 4.411 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)c2c(F)cc(F)cc2F)nc2ccccc2c1=O ZINC000476701629 891659338 /nfs/dbraw/zinc/65/93/38/891659338.db2.gz RATBBKXYOJGLPM-LLVKDONJSA-N 0 0 404.413 4.363 20 30 HIEDRN N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000504854744 913583935 /nfs/dbraw/zinc/58/39/35/913583935.db2.gz WJPBYIWFKGVWNY-UHFFFAOYSA-N 0 0 405.395 4.249 20 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891991819 /nfs/dbraw/zinc/99/18/19/891991819.db2.gz QYRVDOCVIMHWHQ-MRXNPFEDSA-N 0 0 421.526 4.012 20 30 HIEDRN COc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000477058338 891991843 /nfs/dbraw/zinc/99/18/43/891991843.db2.gz QYRVDOCVIMHWHQ-INIZCTEOSA-N 0 0 421.526 4.012 20 30 HIEDRN Cc1oc2ccc(NC(=O)C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2c1C ZINC000477124275 892053021 /nfs/dbraw/zinc/05/30/21/892053021.db2.gz CZOLBADHYHIHNZ-UHFFFAOYSA-N 0 0 414.383 4.175 20 30 HIEDRN N#C[C@H]1N(C(=O)c2cc3sc(N4CCCC4)nc3s2)CCC[C@@]12CCCCO2 ZINC000477137367 892064809 /nfs/dbraw/zinc/06/48/09/892064809.db2.gz FIAMSRNCUKXPSG-UZLBHIALSA-N 0 0 416.572 4.025 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 ZINC000477168732 892089948 /nfs/dbraw/zinc/08/99/48/892089948.db2.gz IPUFKBBVHPHWNX-MRXNPFEDSA-N 0 0 409.795 4.459 20 30 HIEDRN Cc1ccc(Br)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000477239091 892182090 /nfs/dbraw/zinc/18/20/90/892182090.db2.gz HTEOQUPLXRIZQZ-HNNXBMFYSA-N 0 0 416.294 4.167 20 30 HIEDRN O=C(Cc1csc(Cc2ccccc2)n1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477256134 892207998 /nfs/dbraw/zinc/20/79/98/892207998.db2.gz DDEBRMMROMCRCX-UHFFFAOYSA-N 0 0 414.452 4.463 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3Cl)CC2)c(F)c1 ZINC000504907336 913641142 /nfs/dbraw/zinc/64/11/42/913641142.db2.gz DQYQTTBMPNSQSS-UHFFFAOYSA-N 0 0 422.685 4.076 20 30 HIEDRN CC(C)NC(=O)Nc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000477291013 892253330 /nfs/dbraw/zinc/25/33/30/892253330.db2.gz LCGGADBJXRGVFL-UHFFFAOYSA-N 0 0 403.404 4.017 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000477324683 892291692 /nfs/dbraw/zinc/29/16/92/892291692.db2.gz RGMKEYOKLIIVMS-UHFFFAOYSA-N 0 0 400.910 4.059 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000477358747 892324862 /nfs/dbraw/zinc/32/48/62/892324862.db2.gz AQVACHOCQTUAQK-UHFFFAOYSA-N 0 0 405.498 4.395 20 30 HIEDRN Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000477378860 892339146 /nfs/dbraw/zinc/33/91/46/892339146.db2.gz AXSCZYGCGNVWLS-DEOSSOPVSA-N 0 0 416.525 4.484 20 30 HIEDRN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C12CCC2 ZINC000477417112 892368949 /nfs/dbraw/zinc/36/89/49/892368949.db2.gz TXCCTXJXGOLQDJ-RBUKOAKNSA-N 0 0 410.543 4.417 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000477420588 892372785 /nfs/dbraw/zinc/37/27/85/892372785.db2.gz VHVDUIQMDYVSIG-UHFFFAOYSA-N 0 0 400.413 4.338 20 30 HIEDRN CC[C@H](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 ZINC000504926621 913665140 /nfs/dbraw/zinc/66/51/40/913665140.db2.gz JVMLCMKISULHTB-QGZVFWFLSA-N 0 0 404.470 4.039 20 30 HIEDRN COCCOc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1OC ZINC000477498999 892506208 /nfs/dbraw/zinc/50/62/08/892506208.db2.gz NANPLPSUTQESMV-UHFFFAOYSA-N 0 0 411.502 4.282 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000477508203 892518984 /nfs/dbraw/zinc/51/89/84/892518984.db2.gz YGAMSQGWIRECCF-UHFFFAOYSA-N 0 0 410.499 4.128 20 30 HIEDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(C#N)cc1 ZINC000477509522 892523250 /nfs/dbraw/zinc/52/32/50/892523250.db2.gz KJIXFGJAHUWGJR-XIKOKIGWSA-N 0 0 417.296 4.031 20 30 HIEDRN COC[C@@H](C)n1c(SCCCOc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000477555539 892599678 /nfs/dbraw/zinc/59/96/78/892599678.db2.gz XSVMDFFTDOAZCX-MRXNPFEDSA-N 0 0 409.511 4.037 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)NCC2(c3ccc(Cl)cc3Cl)CCCC2)c1 ZINC000504950749 913688768 /nfs/dbraw/zinc/68/87/68/913688768.db2.gz WHDZXSWRROSOQL-UHFFFAOYSA-N 0 0 416.308 4.432 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)CCC)c1)c1ccc(F)c(F)c1 ZINC000477630015 892746693 /nfs/dbraw/zinc/74/66/93/892746693.db2.gz GRPLHHJYEWUUSK-HXUWFJFHSA-N 0 0 415.440 4.076 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000477634895 892757404 /nfs/dbraw/zinc/75/74/04/892757404.db2.gz BUPYTDIMWGKYQZ-INIZCTEOSA-N 0 0 414.330 4.236 20 30 HIEDRN C[C@@H](NC(=O)CCOCC(F)(F)C(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000477647278 892774189 /nfs/dbraw/zinc/77/41/89/892774189.db2.gz VZSPMTOIEHTRNT-SECBINFHSA-N 0 0 415.309 4.213 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000477653266 892781921 /nfs/dbraw/zinc/78/19/21/892781921.db2.gz RFNLFXOLAYZCOO-OAHLLOKOSA-N 0 0 400.759 4.269 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1)c1ccc(F)c(F)c1 ZINC000477656359 892786131 /nfs/dbraw/zinc/78/61/31/892786131.db2.gz AAEZGJJWECROIP-HXUWFJFHSA-N 0 0 412.440 4.268 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1)c1ccc(F)c(F)c1 ZINC000477678891 892807089 /nfs/dbraw/zinc/80/70/89/892807089.db2.gz YZMHWEJUVGAOTR-HXUWFJFHSA-N 0 0 422.435 4.102 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OC(C)C)c1ccc(F)c(F)c1 ZINC000477679271 892807289 /nfs/dbraw/zinc/80/72/89/892807289.db2.gz KUAJXKUXXUGZHV-IBGZPJMESA-N 0 0 406.404 4.263 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(OC(C)C)cc1F)c1ccc(F)c(F)c1 ZINC000477680815 892807484 /nfs/dbraw/zinc/80/74/84/892807484.db2.gz OJSHEXDBTRNFIG-LJQANCHMSA-N 0 0 406.404 4.263 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C)c(-c2ncco2)c1)c1ccc(F)c(F)c1 ZINC000477681980 892808015 /nfs/dbraw/zinc/80/80/15/892808015.db2.gz WTYROSFCFWPRGN-LJQANCHMSA-N 0 0 411.408 4.300 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1nc(-c2ccccc2)cs1)c1ccc(F)c(F)c1 ZINC000477682907 892808682 /nfs/dbraw/zinc/80/86/82/892808682.db2.gz YOLJTCBRQLMCCN-SFHVURJKSA-N 0 0 413.449 4.460 20 30 HIEDRN CC(C)[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1nc(C2CC2)no1 ZINC000477716149 892824192 /nfs/dbraw/zinc/82/41/92/892824192.db2.gz HYWUTGKHDMBKEP-AFMYVXGZSA-N 0 0 423.517 4.205 20 30 HIEDRN COc1cccc(CCCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000477734529 892832561 /nfs/dbraw/zinc/83/25/61/892832561.db2.gz SRVIVXKHSAWYCM-UHFFFAOYSA-N 0 0 407.514 4.189 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2CC1)c1ccc(F)c(F)c1 ZINC000477742843 892838895 /nfs/dbraw/zinc/83/88/95/892838895.db2.gz OCVDHCQSCZXVEN-JOCHJYFZSA-N 0 0 416.468 4.410 20 30 HIEDRN 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HIEDRN N#Cc1ccc(O[C@H]2CCN(c3nnc(-c4cc(Cl)cc(Cl)c4)s3)C2)nc1 ZINC000488997892 903111359 /nfs/dbraw/zinc/11/13/59/903111359.db2.gz VCPIUNOPSNINQX-HNNXBMFYSA-N 0 0 418.309 4.436 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)c1ccccc1 ZINC000489008013 903116593 /nfs/dbraw/zinc/11/65/93/903116593.db2.gz IPCZAEJWECGXAP-GOSISDBHSA-N 0 0 400.906 4.496 20 30 HIEDRN COC(=O)[C@]1(c2ccccc2)CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000489029083 903134392 /nfs/dbraw/zinc/13/43/92/903134392.db2.gz YCABEJOLAWZYIQ-HSZRJFAPSA-N 0 0 423.419 4.029 20 30 HIEDRN C=CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)c1ccccc1 ZINC000489030486 903136700 /nfs/dbraw/zinc/13/67/00/903136700.db2.gz YBQFBYBMIUWWGZ-GOSISDBHSA-N 0 0 400.544 4.370 20 30 HIEDRN Cc1csc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1Br ZINC000489046390 903152167 /nfs/dbraw/zinc/15/21/67/903152167.db2.gz BHIAQRPGTZIXPI-UHFFFAOYSA-N 0 0 401.289 4.011 20 30 HIEDRN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000489092943 903191729 /nfs/dbraw/zinc/19/17/29/903191729.db2.gz HGWWQDIUZCOVRZ-HKUYNNGSSA-N 0 0 407.514 4.208 20 30 HIEDRN CCOC(=O)c1c(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)c(C#N)cn1CCOC ZINC000489146961 903232567 /nfs/dbraw/zinc/23/25/67/903232567.db2.gz CTRGKWQCWANXBZ-DLBZAZTESA-N 0 0 423.513 4.111 20 30 HIEDRN Cc1ccccc1[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000489152039 903233854 /nfs/dbraw/zinc/23/38/54/903233854.db2.gz IRFNVBRFPVZABK-WMZHIEFXSA-N 0 0 406.505 4.425 20 30 HIEDRN C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000489223159 903272807 /nfs/dbraw/zinc/27/28/07/903272807.db2.gz NOZCTROVXJOBCE-OAHLLOKOSA-N 0 0 400.438 4.108 20 30 HIEDRN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000489380289 903354316 /nfs/dbraw/zinc/35/43/16/903354316.db2.gz ZHPDFTAHIWMKOD-MMCAFHBRSA-N 0 0 410.905 4.167 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)c2ccc(NC(=O)CC)cc2)nnc1-c1ccncc1 ZINC000489386328 903358020 /nfs/dbraw/zinc/35/80/20/903358020.db2.gz FOCFNLXGMRRZKK-UHFFFAOYSA-N 0 0 421.526 4.240 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1CC ZINC000489386277 903358109 /nfs/dbraw/zinc/35/81/09/903358109.db2.gz JTUVAKWFBRLBBD-HNNXBMFYSA-N 0 0 413.572 4.117 20 30 HIEDRN C=C(C)Cn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 ZINC000489394578 903364589 /nfs/dbraw/zinc/36/45/89/903364589.db2.gz DCNDANLRMPCHHO-CQSZACIVSA-N 0 0 404.499 4.418 20 30 HIEDRN C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccs1 ZINC000489397840 903365821 /nfs/dbraw/zinc/36/58/21/903365821.db2.gz RXIOQIKKUVNCCC-QGZVFWFLSA-N 0 0 410.568 4.479 20 30 HIEDRN CCn1c(SCC(=O)N(CCC#N)c2cccc(C)c2C)nnc1-c1ccccn1 ZINC000489437120 903383823 /nfs/dbraw/zinc/38/38/23/903383823.db2.gz VVZJKWQRAMGLFN-UHFFFAOYSA-N 0 0 420.542 4.016 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000489441393 903384496 /nfs/dbraw/zinc/38/44/96/903384496.db2.gz UXLBPYCKFOFMSX-UHFFFAOYSA-N 0 0 404.518 4.294 20 30 HIEDRN C=C(C)Cn1c(S[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)nnc1-c1ccncc1 ZINC000489439421 903384886 /nfs/dbraw/zinc/38/48/86/903384886.db2.gz IHKGQOPMLUOXPB-HKUYNNGSSA-N 0 0 413.591 4.291 20 30 HIEDRN CC1(C#N)CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CC1 ZINC000506033281 914717127 /nfs/dbraw/zinc/71/71/27/914717127.db2.gz WGUCXANWPPJCON-UHFFFAOYSA-N 0 0 408.468 4.260 20 30 HIEDRN COc1ccc(-c2noc([C@H](C)SCCOc3ccc(C#N)cc3OC)n2)cc1 ZINC000489579435 903475851 /nfs/dbraw/zinc/47/58/51/903475851.db2.gz PMXLSKOBORYVDC-AWEZNQCLSA-N 0 0 411.483 4.499 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000489624233 903503179 /nfs/dbraw/zinc/50/31/79/903503179.db2.gz RINUDKUIELSEOL-LJQANCHMSA-N 0 0 413.587 4.229 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N1CCCCCC1 ZINC000489651882 903516608 /nfs/dbraw/zinc/51/66/08/903516608.db2.gz FXQWYURJLRYQAS-GOSISDBHSA-N 0 0 414.575 4.235 20 30 HIEDRN C=CCn1c(S[C@@H](C(=O)NCc2ccco2)C(C)C)nnc1-c1ccc(C)cc1 ZINC000489654836 903519871 /nfs/dbraw/zinc/51/98/71/903519871.db2.gz ZQOFDADDEQNMRM-LJQANCHMSA-N 0 0 410.543 4.466 20 30 HIEDRN C=CCn1c(SCC(=O)NCC2(c3ccccc3)CC2)nnc1-c1ccc(C)cc1 ZINC000489657801 903523271 /nfs/dbraw/zinc/52/32/71/903523271.db2.gz IHNWCINOQQJXJB-UHFFFAOYSA-N 0 0 418.566 4.380 20 30 HIEDRN C=CCC[C@H](C(=O)N(C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccccc1 ZINC000489662152 903527260 /nfs/dbraw/zinc/52/72/60/903527260.db2.gz RYRBRDZHPALPFF-QFIPXVFZSA-N 0 0 414.571 4.428 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1S[C@@H](C(=O)N1CCCC1)C(C)C ZINC000489665994 903528867 /nfs/dbraw/zinc/52/88/67/903528867.db2.gz KRZJHTYXUCEYOS-HXUWFJFHSA-N 0 0 414.575 4.091 20 30 HIEDRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(F)cc1 ZINC000489669944 903532877 /nfs/dbraw/zinc/53/28/77/903532877.db2.gz WZOXBVYASMHAGK-UHFFFAOYSA-N 0 0 415.881 4.360 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1nc(Cc2ccccc2)no1 ZINC000489692337 903542691 /nfs/dbraw/zinc/54/26/91/903542691.db2.gz SULATDGZNIVJPU-UHFFFAOYSA-N 0 0 419.510 4.309 20 30 HIEDRN COc1ccccc1[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000489710436 903552813 /nfs/dbraw/zinc/55/28/13/903552813.db2.gz ZJPXXPUCTCISJV-SZNDQCEHSA-N 0 0 421.522 4.416 20 30 HIEDRN C=CCC[C@H](NC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccc(C(F)(F)F)cc1 ZINC000489725976 903560732 /nfs/dbraw/zinc/56/07/32/903560732.db2.gz QBXKVSNVBVQEDX-HNNXBMFYSA-N 0 0 402.376 4.187 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)o2)cc1 ZINC000489765861 903589512 /nfs/dbraw/zinc/58/95/12/903589512.db2.gz XQAPMMMBHFNGGT-CQSZACIVSA-N 0 0 406.467 4.292 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)NCc3cccnc3)C(C)C)o2)cc1 ZINC000489773707 903592422 /nfs/dbraw/zinc/59/24/22/903592422.db2.gz IODUPVOPOAOVJQ-LJQANCHMSA-N 0 0 424.526 4.130 20 30 HIEDRN CC(C)(C)n1ncc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1-c1ccccc1 ZINC000489792830 903603317 /nfs/dbraw/zinc/60/33/17/903603317.db2.gz RYFMBIHTJMORFZ-UHFFFAOYSA-N 0 0 411.469 4.010 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)o2)cc1 ZINC000489808889 903607412 /nfs/dbraw/zinc/60/74/12/903607412.db2.gz CAIXISAQVAIEMD-AWEZNQCLSA-N 0 0 406.467 4.292 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000489812743 903608847 /nfs/dbraw/zinc/60/88/47/903608847.db2.gz RJHGYMMWBSALSX-BZUAXINKSA-N 0 0 401.532 4.287 20 30 HIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccc(C)cc3)o2)cc1 ZINC000489818650 903613417 /nfs/dbraw/zinc/61/34/17/903613417.db2.gz ODMGKAPRWKSHIL-MRXNPFEDSA-N 0 0 409.511 4.407 20 30 HIEDRN C=CCN(CC=C)C(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000489839824 903623588 /nfs/dbraw/zinc/62/35/88/903623588.db2.gz VHMQNDWYMYBBST-AWEZNQCLSA-N 0 0 413.934 4.150 20 30 HIEDRN C=CCN(CC=C)C(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000489839825 903623836 /nfs/dbraw/zinc/62/38/36/903623836.db2.gz VHMQNDWYMYBBST-CQSZACIVSA-N 0 0 413.934 4.150 20 30 HIEDRN CN(Cc1nc2ccccc2s1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506046078 914739416 /nfs/dbraw/zinc/73/94/16/914739416.db2.gz QDDXNNHAUPYOHC-UHFFFAOYSA-N 0 0 408.502 4.182 20 30 HIEDRN C=CCC[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)c1ccccc1 ZINC000489949329 903692094 /nfs/dbraw/zinc/69/20/94/903692094.db2.gz DCIJVAYUAUWOBX-XMMPIXPASA-N 0 0 404.554 4.430 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000489951378 903693865 /nfs/dbraw/zinc/69/38/65/903693865.db2.gz XGLROWYSHYCWDT-JOCHJYFZSA-N 0 0 419.506 4.044 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000489958423 903697877 /nfs/dbraw/zinc/69/78/77/903697877.db2.gz RKFKHJHEPKJYLW-YVEFUNNKSA-N 0 0 404.297 4.055 20 30 HIEDRN N#Cc1c(F)cccc1C(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000489958637 903698079 /nfs/dbraw/zinc/69/80/79/903698079.db2.gz WZGWTKLEAPQGDM-UHFFFAOYSA-N 0 0 406.288 4.005 20 30 HIEDRN CCc1ccc([C@H](C#N)NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000489958421 903698466 /nfs/dbraw/zinc/69/84/66/903698466.db2.gz RKFKHJHEPKJYLW-SJCJKPOMSA-N 0 0 404.297 4.055 20 30 HIEDRN C=CCC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000489964154 903699676 /nfs/dbraw/zinc/69/96/76/903699676.db2.gz GXZQJAMQVMWVIA-UHFFFAOYSA-N 0 0 420.619 4.039 20 30 HIEDRN C=CCC[C@H](C(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000489964819 903700044 /nfs/dbraw/zinc/70/00/44/903700044.db2.gz MFEFLQXTLHIHQL-DEOSSOPVSA-N 0 0 420.553 4.300 20 30 HIEDRN CCc1ccc([C@H](C#N)NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)cc1 ZINC000489968326 903703465 /nfs/dbraw/zinc/70/34/65/903703465.db2.gz VESQTLCMOXXWBO-NRFANRHFSA-N 0 0 419.554 4.426 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(n2cc(Cl)cn2)CC1 ZINC000506048551 914742349 /nfs/dbraw/zinc/74/23/49/914742349.db2.gz ZXCZHDQNBVRRJP-OAHLLOKOSA-N 0 0 417.966 4.064 20 30 HIEDRN CCCN(C(=O)CSCc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000489984999 903712982 /nfs/dbraw/zinc/71/29/82/903712982.db2.gz RSZACOVWRFIKNJ-GOSISDBHSA-N 0 0 409.555 4.366 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490025742 903729837 /nfs/dbraw/zinc/72/98/37/903729837.db2.gz KLSQKMXVDYDEKI-UHFFFAOYSA-N 0 0 406.486 4.123 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 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ZINC000503217628 912200659 /nfs/dbraw/zinc/20/06/59/912200659.db2.gz HZRQGIUDDKSVQY-QFIPXVFZSA-N 0 0 410.587 4.035 20 30 HIEDRN Cc1sc(Br)cc1S(=O)(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503222450 912204929 /nfs/dbraw/zinc/20/49/29/912204929.db2.gz WGSADSBYQAMUQF-UHFFFAOYSA-N 0 0 423.357 4.169 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000503225206 912207025 /nfs/dbraw/zinc/20/70/25/912207025.db2.gz LDGTZDPENVSMLB-CQSZACIVSA-N 0 0 403.529 4.127 20 30 HIEDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000506276600 914878619 /nfs/dbraw/zinc/87/86/19/914878619.db2.gz CIYZXQQGOCCYQN-YPMLDQLKSA-N 0 0 422.344 4.183 20 30 HIEDRN CC(C)(NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)c1cccs1 ZINC000506281464 914881758 /nfs/dbraw/zinc/88/17/58/914881758.db2.gz FYGFBNCRCYCJOQ-UHFFFAOYSA-N 0 0 419.506 4.189 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3Cc3ccccc3)C2=O)cc1 ZINC000506293813 914888620 /nfs/dbraw/zinc/88/86/20/914888620.db2.gz VAKLHSXHGGDXOY-XMMPIXPASA-N 0 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ZINC000506503382 915124854 /nfs/dbraw/zinc/12/48/54/915124854.db2.gz RCMWEIUEAGEUIS-IBGZPJMESA-N 0 0 419.460 4.035 20 30 HIEDRN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000506511191 915135641 /nfs/dbraw/zinc/13/56/41/915135641.db2.gz OCFRSFZPKQUOOK-IEBWSBKVSA-N 0 0 412.287 4.105 20 30 HIEDRN Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)nn1-c1ccc(Br)cc1 ZINC000506517049 915146084 /nfs/dbraw/zinc/14/60/84/915146084.db2.gz SJVGYVDDHUFGFP-SFHVURJKSA-N 0 0 401.308 4.146 20 30 HIEDRN N#C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)C1CCCCC1 ZINC000506527923 915169134 /nfs/dbraw/zinc/16/91/34/915169134.db2.gz UYXVTYWIJCBBPI-GOSISDBHSA-N 0 0 421.526 4.208 20 30 HIEDRN COc1ccccc1CC(C)(C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000506530051 915170404 /nfs/dbraw/zinc/17/04/04/915170404.db2.gz FQYNWZOMCWEALF-KRWDZBQOSA-N 0 0 401.304 4.407 20 30 HIEDRN COc1ccccc1CC(C)(C)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000506530052 915171263 /nfs/dbraw/zinc/17/12/63/915171263.db2.gz FQYNWZOMCWEALF-QGZVFWFLSA-N 0 0 401.304 4.407 20 30 HIEDRN N#C[C@H](NC(=O)CCCCCC(=O)N[C@@H](C#N)C1CCCCC1)C1CCCCC1 ZINC000506534229 915177019 /nfs/dbraw/zinc/17/70/19/915177019.db2.gz WQJVTBKXBWUNET-SFTDATJTSA-N 0 0 400.567 4.114 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1Cc1ccccc1C(C)(C)C#N ZINC000506621934 915281653 /nfs/dbraw/zinc/28/16/53/915281653.db2.gz XQWPGBYGASBBDQ-IBGZPJMESA-N 0 0 420.479 4.437 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(N4CCCC4)c3)CC2)c1 ZINC000506661983 915337024 /nfs/dbraw/zinc/33/70/24/915337024.db2.gz MLHJZVLUISCQGU-UHFFFAOYSA-N 0 0 417.513 4.041 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCc3cc4ccccc4s3)C2)n1 ZINC000506676667 915353812 /nfs/dbraw/zinc/35/38/12/915353812.db2.gz FJEDMCBMIFFLLC-LJQANCHMSA-N 0 0 404.539 4.052 20 30 HIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000506695777 915372202 /nfs/dbraw/zinc/37/22/02/915372202.db2.gz IFPRZSDHKGEGMJ-LJQANCHMSA-N 0 0 417.843 4.239 20 30 HIEDRN O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000506719878 915398904 /nfs/dbraw/zinc/39/89/04/915398904.db2.gz TVFKJLPKPFRDLC-LLVKDONJSA-N 0 0 402.245 4.149 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)Nc2cccc(OCCc3ccccc3)c2)ccc1Cl ZINC000506732716 915418874 /nfs/dbraw/zinc/41/88/74/915418874.db2.gz QIDDVNGEACZMBK-UHFFFAOYSA-N 0 0 419.868 4.410 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000506741023 915427904 /nfs/dbraw/zinc/42/79/04/915427904.db2.gz DMVGNOKGFTULET-NRFANRHFSA-N 0 0 414.452 4.278 20 30 HIEDRN N#Cc1ccc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])c1 ZINC000506740386 915428195 /nfs/dbraw/zinc/42/81/95/915428195.db2.gz AKHXTLSPLYWVIX-UHFFFAOYSA-N 0 0 403.442 4.198 20 30 HIEDRN N#Cc1cc2c(nc1NCC1(c3ccc(Br)cc3)CCOCC1)CCC2 ZINC000506762422 915464860 /nfs/dbraw/zinc/46/48/60/915464860.db2.gz PKTLHYYKEBZILJ-UHFFFAOYSA-N 0 0 412.331 4.365 20 30 HIEDRN CN(Cc1csc(Cc2ccc(Cl)cc2)n1)S(=O)(=O)c1cccc(C#N)c1 ZINC000506775150 915493389 /nfs/dbraw/zinc/49/33/89/915493389.db2.gz FETKHOSDXPPDSW-UHFFFAOYSA-N 0 0 417.943 4.080 20 30 HIEDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000513411149 921780143 /nfs/dbraw/zinc/78/01/43/921780143.db2.gz KBYZWVHBRNEVSJ-UZLBHIALSA-N 0 0 409.480 4.457 20 30 HIEDRN CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)Cc3c(F)cccc3C#N)cc2)c1 ZINC000513414056 921781728 /nfs/dbraw/zinc/78/17/28/921781728.db2.gz BZRXIMJQIRRQMK-UHFFFAOYSA-N 0 0 424.453 4.074 20 30 HIEDRN C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000506827927 915598563 /nfs/dbraw/zinc/59/85/63/915598563.db2.gz UEWPKKXMXNYBEP-QGZVFWFLSA-N 0 0 413.481 4.108 20 30 HIEDRN COc1ccc([C@H](C)NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1OC ZINC000513418862 921786773 /nfs/dbraw/zinc/78/67/73/921786773.db2.gz CNVKBQGJQLPCNE-KRWDZBQOSA-N 0 0 423.513 4.198 20 30 HIEDRN C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)Cc1cc(Cl)ccc1OC ZINC000506876211 915667927 /nfs/dbraw/zinc/66/79/27/915667927.db2.gz QKPBNBWDVRCHMJ-UHFFFAOYSA-N 0 0 417.918 4.075 20 30 HIEDRN C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000506878612 915669936 /nfs/dbraw/zinc/66/99/36/915669936.db2.gz ZXFPHSISGCJEQK-UHFFFAOYSA-N 0 0 407.417 4.182 20 30 HIEDRN C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000506888369 915682798 /nfs/dbraw/zinc/68/27/98/915682798.db2.gz FQLBKNVKQJOADP-IFXJQAMLSA-N 0 0 411.889 4.034 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000506891432 915685971 /nfs/dbraw/zinc/68/59/71/915685971.db2.gz FNPAZWZZDZFLEW-MJGOQNOKSA-N 0 0 415.415 4.277 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3C(F)(F)F)C2=O)cc1 ZINC000506900952 915699924 /nfs/dbraw/zinc/69/99/24/915699924.db2.gz WWNJFJQDQJNFEN-QGZVFWFLSA-N 0 0 420.366 4.033 20 30 HIEDRN COC(=O)c1c(CC(C)C)csc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000506937794 915742041 /nfs/dbraw/zinc/74/20/41/915742041.db2.gz CXKLCRZLIIWBIE-UHFFFAOYSA-N 0 0 400.504 4.076 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S(=O)(=O)[C@H](C)c1ccccc1 ZINC000506946450 915750855 /nfs/dbraw/zinc/75/08/55/915750855.db2.gz TYKYBUQNVZERKS-OAHLLOKOSA-N 0 0 417.918 4.231 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000506948296 915752128 /nfs/dbraw/zinc/75/21/28/915752128.db2.gz FPEBBQCOFANNRC-AWEZNQCLSA-N 0 0 405.420 4.374 20 30 HIEDRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)N(CC)CCC#N ZINC000506955323 915762232 /nfs/dbraw/zinc/76/22/32/915762232.db2.gz MEBQTHULMRQKSF-UHFFFAOYSA-N 0 0 401.488 4.368 20 30 HIEDRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)N(C)C[C@@H](C)C#N ZINC000506955971 915762565 /nfs/dbraw/zinc/76/25/65/915762565.db2.gz VJVLJBNHHJJTJI-ZDUSSCGKSA-N 0 0 401.488 4.224 20 30 HIEDRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)N(C)C[C@H](C)C#N ZINC000506955970 915762879 /nfs/dbraw/zinc/76/28/79/915762879.db2.gz VJVLJBNHHJJTJI-CYBMUJFWSA-N 0 0 401.488 4.224 20 30 HIEDRN N#Cc1cc(NC(=O)c2csc(-c3ncccc3F)n2)ccc1OCC(F)(F)F ZINC000506994165 915807836 /nfs/dbraw/zinc/80/78/36/915807836.db2.gz DLJCYTXLYDMVSH-UHFFFAOYSA-N 0 0 422.363 4.409 20 30 HIEDRN 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CSc1nn(-c2ccccc2)c(NC(=O)CCc2ncc(C(C)(C)C)o2)c1C#N ZINC000509118103 917854477 /nfs/dbraw/zinc/85/44/77/917854477.db2.gz RKYIODOWNSNNFC-UHFFFAOYSA-N 0 0 409.515 4.323 20 30 HIEDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000509146951 917868806 /nfs/dbraw/zinc/86/88/06/917868806.db2.gz OCTDBZRTGQSHMQ-UHFFFAOYSA-N 0 0 401.363 4.120 20 30 HIEDRN CCN([C@@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509170580 917884562 /nfs/dbraw/zinc/88/45/62/917884562.db2.gz ZSAVIJRDZHBHIB-AVRDEDQJSA-N 0 0 414.575 4.095 20 30 HIEDRN COc1cc(C)c(Br)cc1C(=O)Nc1ncccc1OCCCC#N ZINC000509180251 917890572 /nfs/dbraw/zinc/89/05/72/917890572.db2.gz PMZIESJLTZQEPW-UHFFFAOYSA-N 0 0 404.264 4.096 20 30 HIEDRN Cc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)nn1-c1cccc(C#N)c1 ZINC000509226448 917925067 /nfs/dbraw/zinc/92/50/67/917925067.db2.gz WAAVISINFKZXLT-LJQANCHMSA-N 0 0 416.481 4.303 20 30 HIEDRN COc1cccc([C@H](C)N2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000509233118 917930184 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Cc1nc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc2o1 ZINC000541135206 939473003 /nfs/dbraw/zinc/47/30/03/939473003.db2.gz KHMSZZKGMNXKDI-OAHLLOKOSA-N 0 0 424.460 4.491 20 30 HIEDRN COc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541135949 939473540 /nfs/dbraw/zinc/47/35/40/939473540.db2.gz QJWNEAROCVJJQJ-HNNXBMFYSA-N 0 0 417.440 4.189 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)n1 ZINC000541143067 939475218 /nfs/dbraw/zinc/47/52/18/939475218.db2.gz HICKCXGETHVOOR-UHFFFAOYSA-N 0 0 409.858 4.295 20 30 HIEDRN CCOCCO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000541158979 939480812 /nfs/dbraw/zinc/48/08/12/939480812.db2.gz QLQIGRPAHOJURN-JPYJTQIMSA-N 0 0 407.514 4.123 20 30 HIEDRN CCN1CC[C@@H](NC(=O)c2c(F)c(F)cc(F)c2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541165167 939483521 /nfs/dbraw/zinc/48/35/21/939483521.db2.gz MNBQHZLJWKYJMM-FZKQIMNGSA-N 0 0 420.328 4.226 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cccc(OCC(F)(F)F)c3)n2)c(F)c1 ZINC000541171876 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30 HIEDRN C=CCc1ccc(OCC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(OC)c1 ZINC000543894713 940230862 /nfs/dbraw/zinc/23/08/62/940230862.db2.gz OSYIDOOAHFMFOV-UHFFFAOYSA-N 0 0 422.872 4.152 20 30 HIEDRN Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543894823 940230938 /nfs/dbraw/zinc/23/09/38/940230938.db2.gz UKJGUWAUNNCKDI-UHFFFAOYSA-N 0 0 407.817 4.135 20 30 HIEDRN Cn1cc(-c2ccc(F)c(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)c2)cn1 ZINC000543900255 940232855 /nfs/dbraw/zinc/23/28/55/940232855.db2.gz GTJNAXZLNCDWIY-UHFFFAOYSA-N 0 0 418.472 4.218 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(F)cc2OC(F)F)n1 ZINC000543908788 940237959 /nfs/dbraw/zinc/23/79/59/940237959.db2.gz OCKZKORBRAYDJA-UHFFFAOYSA-N 0 0 406.751 4.390 20 30 HIEDRN C[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543915676 940242076 /nfs/dbraw/zinc/24/20/76/940242076.db2.gz RNPUDNMGJAUPDY-GOSISDBHSA-N 0 0 407.477 4.356 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543924683 940248692 /nfs/dbraw/zinc/24/86/92/940248692.db2.gz UFMZMHRKMXCDCU-HNNXBMFYSA-N 0 0 412.424 4.052 20 30 HIEDRN COc1ccc(-c2n[nH]cc2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC000543928597 940250268 /nfs/dbraw/zinc/25/02/68/940250268.db2.gz XFJBIQWXFLBBEM-UHFFFAOYSA-N 0 0 418.844 4.048 20 30 HIEDRN CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000543943435 940257692 /nfs/dbraw/zinc/25/76/92/940257692.db2.gz JRIVQBGILRMNIX-JKSUJKDBSA-N 0 0 419.485 4.218 20 30 HIEDRN Cc1cc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)nn1CCC#N ZINC000543943459 940258236 /nfs/dbraw/zinc/25/82/36/940258236.db2.gz XTOJCYXQMONJFS-UHFFFAOYSA-N 0 0 403.364 4.340 20 30 HIEDRN C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943042 940258263 /nfs/dbraw/zinc/25/82/63/940258263.db2.gz ANZXWEMLEFLFCP-IBGZPJMESA-N 0 0 411.509 4.213 20 30 HIEDRN CC(C)C(=O)NC1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000543944468 940259091 /nfs/dbraw/zinc/25/90/91/940259091.db2.gz ONSJQZLNCIDJIZ-SFHVURJKSA-N 0 0 418.541 4.232 20 30 HIEDRN C[C@H](C(=O)N(c1cccc(N2CCCC2)c1)C1CCCCCC1)n1cnc(C#N)n1 ZINC000543999001 940291302 /nfs/dbraw/zinc/29/13/02/940291302.db2.gz WMYLRFSPDILUER-GOSISDBHSA-N 0 0 406.534 4.067 20 30 HIEDRN O=C(Cn1cccn1)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000544012176 940299169 /nfs/dbraw/zinc/29/91/69/940299169.db2.gz VFWWMXGSMFVWIK-LBPRGKRZSA-N 0 0 419.247 4.341 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1ccccc1Br ZINC000544019648 940301571 /nfs/dbraw/zinc/30/15/71/940301571.db2.gz FVBZYOZAWYRUBA-UHFFFAOYSA-N 0 0 415.331 4.274 20 30 HIEDRN CC[C@H](c1nnc(SC[C@H](O)COc2ccc(CC#N)cc2)o1)c1ccccc1 ZINC000544022873 940302538 /nfs/dbraw/zinc/30/25/38/940302538.db2.gz UMBNOLNIAHVXKG-QUCCMNQESA-N 0 0 409.511 4.210 20 30 HIEDRN C=CC[C@H](CC)NC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000544032890 940305473 /nfs/dbraw/zinc/30/54/73/940305473.db2.gz SKSGXSPWQJSUFP-OXJNMPFZSA-N 0 0 422.497 4.112 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(Br)c1F ZINC000544033794 940306163 /nfs/dbraw/zinc/30/61/63/940306163.db2.gz PJJBTVQBRLHLOT-LBPRGKRZSA-N 0 0 411.296 4.232 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CCC(CCCn4ccnc4)CC3)o2)cc1 ZINC000544041096 940307371 /nfs/dbraw/zinc/30/73/71/940307371.db2.gz XEMXQKFVTKCSFD-UHFFFAOYSA-N 0 0 418.497 4.259 20 30 HIEDRN CCOc1ccc(C#N)cc1N[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000544040488 940307716 /nfs/dbraw/zinc/30/77/16/940307716.db2.gz XFBZRSXJAYFNKM-OAHLLOKOSA-N 0 0 406.486 4.135 20 30 HIEDRN N#CCc1ccc(C[S@](=O)Cc2nc(-c3cc(Br)cs3)no2)cc1 ZINC000544044790 940309025 /nfs/dbraw/zinc/30/90/25/940309025.db2.gz FYIAULQSAWEZMM-DEOSSOPVSA-N 0 0 422.329 4.076 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000544083480 940321668 /nfs/dbraw/zinc/32/16/68/940321668.db2.gz FWGOBAOTCCYQHS-KRWDZBQOSA-N 0 0 403.482 4.026 20 30 HIEDRN CC1(C#N)CCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000544104152 940327243 /nfs/dbraw/zinc/32/72/43/940327243.db2.gz DIPVWQRJNFISPS-UHFFFAOYSA-N 0 0 409.361 4.293 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000544112625 940329478 /nfs/dbraw/zinc/32/94/78/940329478.db2.gz MQPALRATOSWSGN-UHFFFAOYSA-N 0 0 400.479 4.268 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000544151587 940338809 /nfs/dbraw/zinc/33/88/09/940338809.db2.gz NPJBQRBWNSUZOU-UHFFFAOYSA-N 0 0 420.469 4.183 20 30 HIEDRN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(OC)c(OC3CCCC3)c2)n1 ZINC000544155732 940339539 /nfs/dbraw/zinc/33/95/39/940339539.db2.gz WRPDSDCRGCVSPL-OAHLLOKOSA-N 0 0 414.483 4.140 20 30 HIEDRN COc1cccc([C@H]2C[C@H](C)CN2C(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000544161784 940340325 /nfs/dbraw/zinc/34/03/25/940340325.db2.gz GVUCMFPKZAOGQZ-OXJNMPFZSA-N 0 0 423.538 4.249 20 30 HIEDRN N#Cc1ccc(CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000544162695 940340805 /nfs/dbraw/zinc/34/08/05/940340805.db2.gz FKCLACQGPRKYAC-UHFFFAOYSA-N 0 0 400.232 4.034 20 30 HIEDRN N#Cc1ccc(CN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C2CC2)cc1 ZINC000544184356 940346759 /nfs/dbraw/zinc/34/67/59/940346759.db2.gz YKQLLWGRSSBXDW-UHFFFAOYSA-N 0 0 411.509 4.224 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000544209661 940355448 /nfs/dbraw/zinc/35/54/48/940355448.db2.gz OMWQNUILGNEMRK-UHFFFAOYSA-N 0 0 414.421 4.029 20 30 HIEDRN COCC[C@@H](Cc1ccco1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000544239844 940364653 /nfs/dbraw/zinc/36/46/53/940364653.db2.gz LZHUURBHIPKWOO-NRFANRHFSA-N 0 0 404.466 4.108 20 30 HIEDRN COc1cc(Cc2noc(-c3ccc(C#N)cc3C)n2)ccc1OCC(F)(F)F ZINC000544269908 940374420 /nfs/dbraw/zinc/37/44/20/940374420.db2.gz LEOUFVAHGUXLKT-UHFFFAOYSA-N 0 0 403.360 4.457 20 30 HIEDRN CCCc1c(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cnn1C1CCCC1 ZINC000544270586 940374942 /nfs/dbraw/zinc/37/49/42/940374942.db2.gz FAXXAIOEHUPYAA-UHFFFAOYSA-N 0 0 402.502 4.142 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000544298403 940383099 /nfs/dbraw/zinc/38/30/99/940383099.db2.gz RPNHWUHOQUUZQI-ZDUSSCGKSA-N 0 0 405.401 4.068 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000544302330 940384374 /nfs/dbraw/zinc/38/43/74/940384374.db2.gz ZKXPNTVNWPFEIN-UHFFFAOYSA-N 0 0 405.454 4.067 20 30 HIEDRN N#CC1(c2ccc(C(=O)NCCc3c[nH]c4ccc(Br)cc34)cc2)CC1 ZINC000544306572 940385612 /nfs/dbraw/zinc/38/56/12/940385612.db2.gz CJIYURFMULFMHM-UHFFFAOYSA-N 0 0 408.299 4.458 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000544307967 940385916 /nfs/dbraw/zinc/38/59/16/940385916.db2.gz SCZYXOPZBZNUPW-IBGZPJMESA-N 0 0 421.419 4.269 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(Cc3csc(-c4ccccc4)n3)n2)c1 ZINC000544367791 940403893 /nfs/dbraw/zinc/40/38/93/940403893.db2.gz ODPZECSTODFZKV-UHFFFAOYSA-N 0 0 402.479 4.367 20 30 HIEDRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(Cl)c(C#N)c3)s2)c1 ZINC000544423097 940422193 /nfs/dbraw/zinc/42/21/93/940422193.db2.gz PELKHMGNPIRQDN-UHFFFAOYSA-N 0 0 411.870 4.298 20 30 HIEDRN Cc1cnc([C@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)s1 ZINC000544424443 940423376 /nfs/dbraw/zinc/42/33/76/940423376.db2.gz GOQRHUSPHJDUPG-HXUWFJFHSA-N 0 0 423.542 4.062 20 30 HIEDRN Cc1cnc([C@@H](NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C2CC2)s1 ZINC000544424439 940423580 /nfs/dbraw/zinc/42/35/80/940423580.db2.gz GOQRHUSPHJDUPG-FQEVSTJZSA-N 0 0 423.542 4.062 20 30 HIEDRN CC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000544459460 940440019 /nfs/dbraw/zinc/44/00/19/940440019.db2.gz SFPFZUAJQAHFJD-LBPRGKRZSA-N 0 0 402.829 4.366 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](c3nc(Cc4ccc(F)cc4Cl)no3)C2)c(F)c1 ZINC000563916433 945324385 /nfs/dbraw/zinc/32/43/85/945324385.db2.gz AGSDGPIZAWCGGT-AWEZNQCLSA-N 0 0 400.816 4.458 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000563909423 945321978 /nfs/dbraw/zinc/32/19/78/945321978.db2.gz AAKRIVNEJKDGNN-UHFFFAOYSA-N 0 0 423.900 4.474 20 30 HIEDRN CCN1CCN(c2ccc(-c3noc(CSc4ccc(C#N)cc4)n3)cc2F)CC1 ZINC000544495191 940456213 /nfs/dbraw/zinc/45/62/13/940456213.db2.gz NSRZZIGLGYTYBF-UHFFFAOYSA-N 0 0 423.517 4.182 20 30 HIEDRN N#Cc1ccc(OCc2ccc(-c3nc(-c4cccnc4N4CCCC4)no3)o2)cc1 ZINC000544500869 940457699 /nfs/dbraw/zinc/45/76/99/940457699.db2.gz YQMJBOLTMXXLSF-UHFFFAOYSA-N 0 0 413.437 4.442 20 30 HIEDRN COc1cccc(-c2noc([C@H](C)NCC#Cc3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000544514545 940466043 /nfs/dbraw/zinc/46/60/43/940466043.db2.gz ZSMSVVHEGBQMOZ-AWEZNQCLSA-N 0 0 417.387 4.346 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000544516641 940468016 /nfs/dbraw/zinc/46/80/16/940468016.db2.gz HEDKPRXWZQGMER-HUUCEWRRSA-N 0 0 414.506 4.191 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)N[C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)n2)cc1 ZINC000544517897 940469196 /nfs/dbraw/zinc/46/91/96/940469196.db2.gz CSDZLOVUOYLXJU-SNTJIJGESA-N 0 0 423.561 4.269 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)o1 ZINC000544573865 940482411 /nfs/dbraw/zinc/48/24/11/940482411.db2.gz ZRBQPIUZRYGKCO-NRFANRHFSA-N 0 0 416.477 4.204 20 30 HIEDRN CCc1cccc2c(Cc3noc(CCc4c(C)nn(CCC#N)c4C)n3)c[nH]c21 ZINC000544583740 940484563 /nfs/dbraw/zinc/48/45/63/940484563.db2.gz VFPPSXISGWPOAR-UHFFFAOYSA-N 0 0 402.502 4.216 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)cc1 ZINC000544639974 940496819 /nfs/dbraw/zinc/49/68/19/940496819.db2.gz MXUWQVJYFHZAMV-UHFFFAOYSA-N 0 0 424.457 4.025 20 30 HIEDRN Cc1nn(C)c(C)c1[C@H](NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(F)(F)F ZINC000544641275 940496833 /nfs/dbraw/zinc/49/68/33/940496833.db2.gz FHIYVRBULMUGPJ-LNLFQRSKSA-N 0 0 419.451 4.122 20 30 HIEDRN Cc1cccc(OCCCc2noc(CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)c1C ZINC000544711294 940505630 /nfs/dbraw/zinc/50/56/30/940505630.db2.gz LAIKUCXVPXNZQK-UHFFFAOYSA-N 0 0 406.486 4.072 20 30 HIEDRN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[C@@]12CCCO2 ZINC000544711691 940505669 /nfs/dbraw/zinc/50/56/69/940505669.db2.gz GZVSPYLCAAJJGK-ZZRIFKAOSA-N 0 0 419.525 4.312 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000544720325 940507202 /nfs/dbraw/zinc/50/72/02/940507202.db2.gz LYBKOUSTVRGEHX-OAQYLSRUSA-N 0 0 415.534 4.354 20 30 HIEDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000544733145 940508700 /nfs/dbraw/zinc/50/87/00/940508700.db2.gz VPCBOUCFTFOWJR-INIZCTEOSA-N 0 0 418.449 4.334 20 30 HIEDRN Cc1ccc(C(=O)c2c(NC(=O)Cc3cccc(C#N)c3)sc3c2CCOC3)cc1 ZINC000544764059 940511940 /nfs/dbraw/zinc/51/19/40/940511940.db2.gz KRSMBBHHTRPBRQ-UHFFFAOYSA-N 0 0 416.502 4.413 20 30 HIEDRN Cc1ccc(C(=O)c2c(NC(=O)c3ccc(C#N)s3)sc3c2CCN(C)C3)cc1 ZINC000544765140 940512198 /nfs/dbraw/zinc/51/21/98/940512198.db2.gz WHLZESRGCFWAAH-UHFFFAOYSA-N 0 0 421.547 4.461 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H]1CCOC[C@@H]1OCC)c1ccc(C(F)(F)F)cc1 ZINC000544776870 940513030 /nfs/dbraw/zinc/51/30/30/940513030.db2.gz DXGKSLFCJTZBEB-KSZLIROESA-N 0 0 400.441 4.206 20 30 HIEDRN N#Cc1cccc(N2CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccccc3)CC2)n1 ZINC000544831676 940518152 /nfs/dbraw/zinc/51/81/52/940518152.db2.gz IPJXKEDURPRAGL-HSZRJFAPSA-N 0 0 410.521 4.018 20 30 HIEDRN 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Cc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)cc(C(=O)N(C2CC2)C2(C#N)CCC2)c1 ZINC000556455592 942872475 /nfs/dbraw/zinc/87/24/75/942872475.db2.gz AXLRXPVJWOOEQV-UHFFFAOYSA-N 0 0 416.525 4.097 20 30 HIEDRN N#CC1(N(C(=O)CCc2nc3cc(Br)ccc3s2)C2CC2)CCC1 ZINC000556454624 942872588 /nfs/dbraw/zinc/87/25/88/942872588.db2.gz QJMMBIOVAJVAHS-UHFFFAOYSA-N 0 0 404.333 4.429 20 30 HIEDRN N#Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)ccc1F ZINC000556455866 942872901 /nfs/dbraw/zinc/87/29/01/942872901.db2.gz HPTVKLBQCLXTHF-UHFFFAOYSA-N 0 0 406.288 4.399 20 30 HIEDRN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000556625415 942920173 /nfs/dbraw/zinc/92/01/73/942920173.db2.gz KICOPAMKNFSJMG-QFIPXVFZSA-N 0 0 404.514 4.085 20 30 HIEDRN N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000556624877 942920199 /nfs/dbraw/zinc/92/01/99/942920199.db2.gz OZMFXLQQSMIEGK-QFIPXVFZSA-N 0 0 414.465 4.364 20 30 HIEDRN N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1)c1ccccc1 ZINC000556625632 942920230 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ZINC000557649019 943248456 /nfs/dbraw/zinc/24/84/56/943248456.db2.gz HUVYRNBPCCQJBN-NSHDSACASA-N 0 0 403.211 4.097 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CC)CC(=O)N1CCCCCC1 ZINC000557744093 943276925 /nfs/dbraw/zinc/27/69/25/943276925.db2.gz JPKINSWCISMASR-UHFFFAOYSA-N 0 0 412.452 4.135 20 30 HIEDRN C[C@@H](Oc1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1)c1ccccc1 ZINC000557746894 943277563 /nfs/dbraw/zinc/27/75/63/943277563.db2.gz PWHIGXQYGFAZIB-LJQANCHMSA-N 0 0 412.493 4.056 20 30 HIEDRN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(F)c(F)c(F)c1F ZINC000557745210 943277779 /nfs/dbraw/zinc/27/77/79/943277779.db2.gz OQRVDOIYVHUTIL-GOSISDBHSA-N 0 0 421.312 4.393 20 30 HIEDRN C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557760114 943282127 /nfs/dbraw/zinc/28/21/27/943282127.db2.gz ZGYUNTWLZJLXDP-VBKZILBWSA-N 0 0 417.431 4.245 20 30 HIEDRN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000557850114 943312637 /nfs/dbraw/zinc/31/26/37/943312637.db2.gz UTCMRMRKBDFPGC-LBPRGKRZSA-N 0 0 416.852 4.482 20 30 HIEDRN N#CCc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)cc1 ZINC000557883942 943320053 /nfs/dbraw/zinc/32/00/53/943320053.db2.gz ZZKMGHJIRBKFTM-URXFXBBRSA-N 0 0 416.452 4.073 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(Br)s1)c1ccccc1 ZINC000557899073 943323579 /nfs/dbraw/zinc/32/35/79/943323579.db2.gz FXKNKQVHFOXINH-MRXNPFEDSA-N 0 0 421.360 4.293 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000558019756 943357894 /nfs/dbraw/zinc/35/78/94/943357894.db2.gz KLHAXLGXYMOHSH-FQEVSTJZSA-N 0 0 400.473 4.061 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000558130198 943389869 /nfs/dbraw/zinc/38/98/69/943389869.db2.gz IFYMQHBMMDQTAM-MOPGFXCFSA-N 0 0 402.416 4.356 20 30 HIEDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000558193852 943427204 /nfs/dbraw/zinc/42/72/04/943427204.db2.gz RHHKQKJTBQBCDM-SFHVURJKSA-N 0 0 422.529 4.076 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccnc2)c(C(F)(F)F)c1 ZINC000558240301 943452872 /nfs/dbraw/zinc/45/28/72/943452872.db2.gz DYWRMQYBEPCLLC-LJQANCHMSA-N 0 0 417.412 4.040 20 30 HIEDRN CCc1ccc([C@H](C#N)NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)cc1 ZINC000558284358 943483307 /nfs/dbraw/zinc/48/33/07/943483307.db2.gz DFPSZOGINXQTNC-KRWDZBQOSA-N 0 0 410.271 4.260 20 30 HIEDRN CCc1ccc([C@@H](C#N)NC(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 ZINC000558286696 943483708 /nfs/dbraw/zinc/48/37/08/943483708.db2.gz QNAHTKISIMQRSK-HXUWFJFHSA-N 0 0 419.554 4.309 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)NCc3nccc(C(F)F)n3)c2)cc1 ZINC000558288478 943485036 /nfs/dbraw/zinc/48/50/36/943485036.db2.gz ARSMCIONHWBLNJ-UHFFFAOYSA-N 0 0 423.423 4.381 20 30 HIEDRN Cc1noc([C@H]2CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 ZINC000558314949 943501649 /nfs/dbraw/zinc/50/16/49/943501649.db2.gz IULNGTPPKFJKID-OAQYLSRUSA-N 0 0 417.469 4.392 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000558325216 943508032 /nfs/dbraw/zinc/50/80/32/943508032.db2.gz CQOKLZSPMCQQMM-MRXNPFEDSA-N 0 0 413.440 4.097 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1nccc(C(F)F)n1 ZINC000558325605 943508575 /nfs/dbraw/zinc/50/85/75/943508575.db2.gz VGWJKKPNOCQBIA-UHFFFAOYSA-N 0 0 423.423 4.495 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4csnn4)cc3)CC2)c(F)c1 ZINC000558330637 943511252 /nfs/dbraw/zinc/51/12/52/943511252.db2.gz UQNJIHRYLHTUNU-UHFFFAOYSA-N 0 0 423.473 4.291 20 30 HIEDRN COc1ncc(Br)cc1Cc1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000558332820 943511411 /nfs/dbraw/zinc/51/14/11/943511411.db2.gz IVFYGLHSDCFZJK-CQSZACIVSA-N 0 0 413.275 4.066 20 30 HIEDRN COCCOc1ccc(Cl)cc1-c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000558334290 943511883 /nfs/dbraw/zinc/51/18/83/943511883.db2.gz RMHFEPSOHMURJT-INIZCTEOSA-N 0 0 408.845 4.137 20 30 HIEDRN COCCCOc1ccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000558344363 943519558 /nfs/dbraw/zinc/51/95/58/943519558.db2.gz UGECADNRRXTEHA-UHFFFAOYSA-N 0 0 415.493 4.218 20 30 HIEDRN C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC000558453012 943563486 /nfs/dbraw/zinc/56/34/86/943563486.db2.gz TYBZPSANYFFVRM-UHFFFAOYSA-N 0 0 400.351 4.431 20 30 HIEDRN C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000558454276 943563573 /nfs/dbraw/zinc/56/35/73/943563573.db2.gz DYAXRQLSRBFQMT-DLBZAZTESA-N 0 0 409.317 4.200 20 30 HIEDRN C=CCn1c(-c2ccc(C)s2)nnc1N(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000558456320 943565383 /nfs/dbraw/zinc/56/53/83/943565383.db2.gz UQLLKWDSWCRHRU-UHFFFAOYSA-N 0 0 406.515 4.176 20 30 HIEDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc(C#N)c(OC)c2)c1 ZINC000558498088 943576232 /nfs/dbraw/zinc/57/62/32/943576232.db2.gz NQPCNUHMFZRONQ-UHFFFAOYSA-N 0 0 400.866 4.281 20 30 HIEDRN CC(=O)N1CCc2cc(NC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)ccc21 ZINC000558510529 943580425 /nfs/dbraw/zinc/58/04/25/943580425.db2.gz DWRGCFZHKVCMDZ-UHFFFAOYSA-N 0 0 413.437 4.299 20 30 HIEDRN COc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000558512318 943581932 /nfs/dbraw/zinc/58/19/32/943581932.db2.gz UKYQHDHEOQVHAH-INIZCTEOSA-N 0 0 418.453 4.343 20 30 HIEDRN COc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000558512325 943582050 /nfs/dbraw/zinc/58/20/50/943582050.db2.gz UKYQHDHEOQVHAH-MRXNPFEDSA-N 0 0 418.453 4.343 20 30 HIEDRN CC(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000558535596 943590638 /nfs/dbraw/zinc/59/06/38/943590638.db2.gz ALFQLYQHJQRSOR-UHFFFAOYSA-N 0 0 408.502 4.215 20 30 HIEDRN N#Cc1cncc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(Cl)cc2Cl)c1 ZINC000558586520 943609381 /nfs/dbraw/zinc/60/93/81/943609381.db2.gz KJZXZRGKUKYDJM-UHFFFAOYSA-N 0 0 421.265 4.248 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000558587952 943609749 /nfs/dbraw/zinc/60/97/49/943609749.db2.gz ZEEMPZIJSUBEDS-UHFFFAOYSA-N 0 0 422.488 4.230 20 30 HIEDRN COc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1OC1CCCC1 ZINC000558591524 943611251 /nfs/dbraw/zinc/61/12/51/943611251.db2.gz WMPZOFSRRQIGER-UHFFFAOYSA-N 0 0 405.498 4.109 20 30 HIEDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000558594143 943611699 /nfs/dbraw/zinc/61/16/99/943611699.db2.gz DYCLUUAOQDUNEK-UHFFFAOYSA-N 0 0 410.905 4.027 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000558622159 943619198 /nfs/dbraw/zinc/61/91/98/943619198.db2.gz JNKDKMOJJJPNKE-UHFFFAOYSA-N 0 0 406.493 4.453 20 30 HIEDRN C[C@H]1c2c(F)cccc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 ZINC000558635311 943622304 /nfs/dbraw/zinc/62/23/04/943622304.db2.gz PXRLCBYANYJLIR-OXJNMPFZSA-N 0 0 417.488 4.259 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000558653656 943624926 /nfs/dbraw/zinc/62/49/26/943624926.db2.gz FHYIAMMDFFQDJK-HNNXBMFYSA-N 0 0 417.296 4.089 20 30 HIEDRN Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000558655822 943625159 /nfs/dbraw/zinc/62/51/59/943625159.db2.gz MLFKKPNQRQKPSM-UHFFFAOYSA-N 0 0 401.514 4.255 20 30 HIEDRN COc1ccc(C(=O)Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)cc1Cl ZINC000558756545 943648427 /nfs/dbraw/zinc/64/84/27/943648427.db2.gz GVSNDKRYMHCQSM-UHFFFAOYSA-N 0 0 401.249 4.380 20 30 HIEDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000558811654 943673841 /nfs/dbraw/zinc/67/38/41/943673841.db2.gz APKLMKQNTAMQSS-CVEARBPZSA-N 0 0 417.391 4.043 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnn(Cc2ccc(F)cc2)c1CC ZINC000558823008 943679840 /nfs/dbraw/zinc/67/98/40/943679840.db2.gz STVBUWGFFGSRRN-UHFFFAOYSA-N 0 0 420.492 4.344 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(c2cccc(OC)c2)CC1 ZINC000558881725 943717138 /nfs/dbraw/zinc/71/71/38/943717138.db2.gz DZSHUELNWIJANG-UHFFFAOYSA-N 0 0 405.477 4.310 20 30 HIEDRN CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC000558883779 943718210 /nfs/dbraw/zinc/71/82/10/943718210.db2.gz GXUMSBZNNUMXQV-UHFFFAOYSA-N 0 0 405.502 4.269 20 30 HIEDRN C[C@@H](C#N)CN(C)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CCc1ccccc1 ZINC000558901454 943736437 /nfs/dbraw/zinc/73/64/37/943736437.db2.gz ZYURVAYMFZWSJS-VJBMBRPKSA-N 0 0 415.541 4.362 20 30 HIEDRN COc1cc(N2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)ccc1F ZINC000558928720 943751273 /nfs/dbraw/zinc/75/12/73/943751273.db2.gz NGRVCCKDZCADMD-UHFFFAOYSA-N 0 0 420.488 4.055 20 30 HIEDRN CN(C(=O)NCC#Cc1cccc(F)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000558956774 943771226 /nfs/dbraw/zinc/77/12/26/943771226.db2.gz KRTGPXBNVQUFJQ-GOSISDBHSA-N 0 0 417.278 4.105 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 ZINC000558961844 943772000 /nfs/dbraw/zinc/77/20/00/943772000.db2.gz IKGGTKCTXATQBB-IBGZPJMESA-N 0 0 421.545 4.008 20 30 HIEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000558962867 943772373 /nfs/dbraw/zinc/77/23/73/943772373.db2.gz DDSDPBAHNQIFCF-GOSISDBHSA-N 0 0 408.550 4.078 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC000558965271 943772857 /nfs/dbraw/zinc/77/28/57/943772857.db2.gz YFXPCHGFDBGGDY-OAQYLSRUSA-N 0 0 421.589 4.410 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000558977719 943781549 /nfs/dbraw/zinc/78/15/49/943781549.db2.gz MMKYKILZHZOVGH-OAQYLSRUSA-N 0 0 404.562 4.327 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000558981550 943784295 /nfs/dbraw/zinc/78/42/95/943784295.db2.gz CRJYIAUGTKMAPQ-UHFFFAOYSA-N 0 0 411.550 4.102 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC000558984063 943784801 /nfs/dbraw/zinc/78/48/01/943784801.db2.gz LHZZYUFTJNPWDY-UHFFFAOYSA-N 0 0 419.504 4.059 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC000558982354 943785692 /nfs/dbraw/zinc/78/56/92/943785692.db2.gz LBRADNLQNARILM-FQEVSTJZSA-N 0 0 418.541 4.478 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC000558986351 943788295 /nfs/dbraw/zinc/78/82/95/943788295.db2.gz IYKJFARKGJVYEH-UHFFFAOYSA-N 0 0 412.925 4.106 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(c2ccnn2CC)CC1 ZINC000558986616 943788442 /nfs/dbraw/zinc/78/84/42/943788442.db2.gz MYZVSANZRRWQAP-UHFFFAOYSA-N 0 0 404.562 4.354 20 30 HIEDRN C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CCC(OCCOC)CC1 ZINC000558993617 943793379 /nfs/dbraw/zinc/79/33/79/943793379.db2.gz GNJGNLCZRGUYSD-UHFFFAOYSA-N 0 0 420.557 4.230 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000558994921 943793974 /nfs/dbraw/zinc/79/39/74/943793974.db2.gz WOAMVABKUAQKDY-UHFFFAOYSA-N 0 0 417.557 4.417 20 30 HIEDRN C=C(C)Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000558995673 943794356 /nfs/dbraw/zinc/79/43/56/943794356.db2.gz IFNYXBFJGKFKRL-SFHVURJKSA-N 0 0 418.488 4.235 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000558995347 943794515 /nfs/dbraw/zinc/79/45/15/943794515.db2.gz XVEDTWVPQDFAPZ-IAGOWNOFSA-N 0 0 417.351 4.147 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000558997969 943795546 /nfs/dbraw/zinc/79/55/46/943795546.db2.gz XDLGJSNMJKKROA-MUGJNUQGSA-N 0 0 402.583 4.026 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC000558999289 943796685 /nfs/dbraw/zinc/79/66/85/943796685.db2.gz AHBKTZYZVHBLLS-UHFFFAOYSA-N 0 0 417.557 4.415 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC000559002097 943797310 /nfs/dbraw/zinc/79/73/10/943797310.db2.gz AFQIVMBWISUUNL-XMMPIXPASA-N 0 0 401.514 4.251 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 ZINC000559000142 943797471 /nfs/dbraw/zinc/79/74/71/943797471.db2.gz ATMQQCZBQFDMGV-UHFFFAOYSA-N 0 0 406.353 4.475 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000559002503 943797936 /nfs/dbraw/zinc/79/79/36/943797936.db2.gz IVSDNQINWTXYKG-JOCHJYFZSA-N 0 0 413.525 4.436 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC2(CCCC2)C1 ZINC000559002881 943798674 /nfs/dbraw/zinc/79/86/74/943798674.db2.gz QWGPWBUYBLBPBZ-UHFFFAOYSA-N 0 0 405.502 4.326 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000559004170 943799927 /nfs/dbraw/zinc/79/99/27/943799927.db2.gz LHDSUTLCWHEKEF-OAQYLSRUSA-N 0 0 408.502 4.318 20 30 HIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC000559004045 943799965 /nfs/dbraw/zinc/79/99/65/943799965.db2.gz KBTUBAWFVSVHDS-ZWKOTPCHSA-N 0 0 402.514 4.385 20 30 HIEDRN C=C(C)Cn1c(C(C)C)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000559005625 943800644 /nfs/dbraw/zinc/80/06/44/943800644.db2.gz QOVPMKRHXBSKCO-UHFFFAOYSA-N 0 0 400.523 4.043 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(N2CCc3ccccc32)CC1 ZINC000559005796 943800781 /nfs/dbraw/zinc/80/07/81/943800781.db2.gz XXRDOJMYHJLJFW-UHFFFAOYSA-N 0 0 414.557 4.256 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(F)C1 ZINC000559006131 943800817 /nfs/dbraw/zinc/80/08/17/943800817.db2.gz FMKJBVAXMWSXIO-SFHVURJKSA-N 0 0 409.303 4.231 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000559006547 943801488 /nfs/dbraw/zinc/80/14/88/943801488.db2.gz WZNDBZAJPJFAIB-CVEARBPZSA-N 0 0 402.926 4.046 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)Cc1cnn(CC)c1 ZINC000559009107 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N#CCc1ccc(OC[C@H](O)COc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000559283029 943890037 /nfs/dbraw/zinc/89/00/37/943890037.db2.gz BFBNIVGSZYNSTG-KRWDZBQOSA-N 0 0 410.451 4.208 20 30 HIEDRN CC(=O)c1cccc(OC[C@@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000559298193 943892165 /nfs/dbraw/zinc/89/21/65/943892165.db2.gz XNAFUNXEPDNEHF-FQEVSTJZSA-N 0 0 403.434 4.372 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1nccs1)C(F)(F)F ZINC000559319834 943895981 /nfs/dbraw/zinc/89/59/81/943895981.db2.gz CUHKLRKJPVMAKE-ABAIWWIYSA-N 0 0 414.478 4.369 20 30 HIEDRN Cc1cc(C)c(C[C@@H](C(=O)Nc2nc3n(c2C#N)CCS3)C(F)(F)F)c(C)c1 ZINC000559397609 943930511 /nfs/dbraw/zinc/93/05/11/943930511.db2.gz UPDMVCBDEJUSTF-AWEZNQCLSA-N 0 0 408.449 4.145 20 30 HIEDRN COc1ccc([C@@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C(C)C)cc1 ZINC000559473435 943969531 /nfs/dbraw/zinc/96/95/31/943969531.db2.gz ILRGUKDSTCRKCU-QHCPKHFHSA-N 0 0 421.541 4.065 20 30 HIEDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000559475558 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HIEDRN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000560843314 944354294 /nfs/dbraw/zinc/35/42/94/944354294.db2.gz JBXUVCRRZCTFGX-GFCCVEGCSA-N 0 0 403.251 4.033 20 30 HIEDRN N#CC1(c2ccccn2)CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000560923330 944370073 /nfs/dbraw/zinc/37/00/73/944370073.db2.gz GHQMZVYPNHCJDF-UHFFFAOYSA-N 0 0 413.312 4.026 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)cc1 ZINC000560975869 944382739 /nfs/dbraw/zinc/38/27/39/944382739.db2.gz OYHUGVBAXHIBCL-UNMCSNQZSA-N 0 0 407.901 4.178 20 30 HIEDRN CC(=O)Nc1ccc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC000560982689 944385647 /nfs/dbraw/zinc/38/56/47/944385647.db2.gz SFBNJLAVVJHNAP-UHFFFAOYSA-N 0 0 410.905 4.415 20 30 HIEDRN N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(Br)cc3F)C2)c(F)c1 ZINC000560982683 944385653 /nfs/dbraw/zinc/38/56/53/944385653.db2.gz RFZNIWZSHOPMER-GFCCVEGCSA-N 0 0 406.230 4.064 20 30 HIEDRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000560988125 944387516 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C[C@H](Cc1ccccc1C(F)(F)F)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000561548697 944668478 /nfs/dbraw/zinc/66/84/78/944668478.db2.gz IDGDHDYULUXASY-CYBMUJFWSA-N 0 0 414.424 4.109 20 30 HIEDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000561622504 944712214 /nfs/dbraw/zinc/71/22/14/944712214.db2.gz ZZPSVPOEDFBUJA-QGZVFWFLSA-N 0 0 416.529 4.411 20 30 HIEDRN CC(C)(C)n1cc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(-c2ccccc2Cl)n1 ZINC000561624036 944713431 /nfs/dbraw/zinc/71/34/31/944713431.db2.gz TWYNURMMCPCPKA-UHFFFAOYSA-N 0 0 408.893 4.683 20 30 HIEDRN N#CCC[C@H](NC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)c1ccccc1 ZINC000561657333 944733088 /nfs/dbraw/zinc/73/30/88/944733088.db2.gz GNUXGQWNVUZWBE-JXALWOEJSA-N 0 0 419.529 4.130 20 30 HIEDRN C=CCn1c(Sc2c([N+](=O)[O-])nc(C)n2CC)nnc1-c1cccc(Cl)c1 ZINC000561678968 944743137 /nfs/dbraw/zinc/74/31/37/944743137.db2.gz CQMNTHRHUMVNNM-UHFFFAOYSA-N 0 0 404.883 4.369 20 30 HIEDRN CC(=O)NC1CCC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000561712134 944759565 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/nfs/dbraw/zinc/21/78/78/855217878.db2.gz OITQIOWFNKPXDU-OAHLLOKOSA-N 0 0 422.451 4.462 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000303833366 855231598 /nfs/dbraw/zinc/23/15/98/855231598.db2.gz RJTVIMPZESRVPN-UHFFFAOYSA-N 0 0 415.415 4.445 20 30 HIEDRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000303838523 855236556 /nfs/dbraw/zinc/23/65/56/855236556.db2.gz LQHXIQWAWLLKQC-UWJYYQICSA-N 0 0 415.459 4.121 20 30 HIEDRN CCCN(CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000303840877 855238033 /nfs/dbraw/zinc/23/80/33/855238033.db2.gz BOBUFZMUNVYDQN-UHFFFAOYSA-N 0 0 405.477 4.042 20 30 HIEDRN C#CCOc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1 ZINC000303871563 855262704 /nfs/dbraw/zinc/26/27/04/855262704.db2.gz NCBXDYFJLMNUFT-UHFFFAOYSA-N 0 0 409.873 4.453 20 30 HIEDRN COc1cc(/C=C/C(=O)c2c(Cl)nc3sccn32)c(Br)cc1O ZINC000303877670 855265221 /nfs/dbraw/zinc/26/52/21/855265221.db2.gz IPYJEVCUIAJLGR-NSCUHMNNSA-N 0 0 413.680 4.422 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000303890999 855272422 /nfs/dbraw/zinc/27/24/22/855272422.db2.gz PMRZSAZAXMDDOQ-XMMPIXPASA-N 0 0 413.477 4.190 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000303896585 855275744 /nfs/dbraw/zinc/27/57/44/855275744.db2.gz QCNHIIVLZNHREU-IAGOWNOFSA-N 0 0 404.388 4.243 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000303913456 855286550 /nfs/dbraw/zinc/28/65/50/855286550.db2.gz SCUYDXNQJZBRFW-FCEUIQTBSA-N 0 0 405.498 4.381 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccccc1 ZINC000303913157 855286620 /nfs/dbraw/zinc/28/66/20/855286620.db2.gz MWLUUKVWGVZADC-UHFFFAOYSA-N 0 0 403.404 4.457 20 30 HIEDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C#N)c(C#N)c3)cc2[N+](=O)[O-])C1 ZINC000303995328 855338718 /nfs/dbraw/zinc/33/87/18/855338718.db2.gz JKKCZKQGTWQEOV-GJZGRUSLSA-N 0 0 403.442 4.073 20 30 HIEDRN COc1ccc(Br)cc1CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000304051441 855344924 /nfs/dbraw/zinc/34/49/24/855344924.db2.gz PAAUXLRODVGVKB-UHFFFAOYSA-N 0 0 403.276 4.321 20 30 HIEDRN N#Cc1cc(F)c(C(=O)Nc2ccc(I)cc2Cl)c(F)c1 ZINC000314988978 855376859 /nfs/dbraw/zinc/37/68/59/855376859.db2.gz YQRUFYSYCCSCMR-UHFFFAOYSA-N 0 0 418.568 4.347 20 30 HIEDRN COc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000314908712 855377152 /nfs/dbraw/zinc/37/71/52/855377152.db2.gz UCQQWXIOFQBPAJ-UHFFFAOYSA-N 0 0 410.065 4.344 20 30 HIEDRN N#Cc1cccc(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 ZINC000314856956 855377292 /nfs/dbraw/zinc/37/72/92/855377292.db2.gz DCHOAWRXLQVWRB-UHFFFAOYSA-N 0 0 420.115 4.106 20 30 HIEDRN N#CCCN(Cc1cccnc1)C(=O)c1ccc(Br)cc1Br ZINC000318314403 855382933 /nfs/dbraw/zinc/38/29/33/855382933.db2.gz TUFCYGRCEHWDCO-UHFFFAOYSA-N 0 0 423.108 4.163 20 30 HIEDRN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)c(Br)cc2F)c1 ZINC000318395363 855383372 /nfs/dbraw/zinc/38/33/72/855383372.db2.gz HPYDFHZBVUZVIG-UHFFFAOYSA-N 0 0 407.623 4.053 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2cc(C)ccc2Br)c(C#N)c1C ZINC000325394927 855402532 /nfs/dbraw/zinc/40/25/32/855402532.db2.gz IUCKUGGYVFTBOQ-UHFFFAOYSA-N 0 0 407.289 4.428 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccc(OC)cc1 ZINC000409465380 855492567 /nfs/dbraw/zinc/49/25/67/855492567.db2.gz NAHPEQWWCXYROW-UHFFFAOYSA-N 0 0 407.283 4.495 20 30 HIEDRN Cc1nc(C)c(-c2csc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)s1 ZINC000409467274 855494728 /nfs/dbraw/zinc/49/47/28/855494728.db2.gz YUFCVOKWHPKXHZ-UHFFFAOYSA-N 0 0 406.496 4.193 20 30 HIEDRN C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(OCc2ccccn2)c1 ZINC000409477815 855501034 /nfs/dbraw/zinc/50/10/34/855501034.db2.gz YGLAQBKIYQFHPP-SFHVURJKSA-N 0 0 423.476 4.209 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2ccncc2)ccc1C(F)(F)F ZINC000409479170 855502316 /nfs/dbraw/zinc/50/23/16/855502316.db2.gz PHXDGXUKDVGBKE-UHFFFAOYSA-N 0 0 417.412 4.368 20 30 HIEDRN COc1cccc2c1CCCCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409490560 855507066 /nfs/dbraw/zinc/50/70/66/855507066.db2.gz HMQRBLFSNDSGOX-UHFFFAOYSA-N 0 0 410.417 4.117 20 30 HIEDRN CCCN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409508970 855515367 /nfs/dbraw/zinc/51/53/67/855515367.db2.gz HAVPOSNZJRIWOX-GOSISDBHSA-N 0 0 423.460 4.450 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1OC ZINC000409513696 855517263 /nfs/dbraw/zinc/51/72/63/855517263.db2.gz NLMDNMVOHGHEJW-UHFFFAOYSA-N 0 0 421.453 4.352 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000437380973 862689207 /nfs/dbraw/zinc/68/92/07/862689207.db2.gz ACDXIVFVZYRGFZ-AWEZNQCLSA-N 0 0 401.919 4.438 20 30 HIEDRN Cc1cc(C)cc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000437380848 862689247 /nfs/dbraw/zinc/68/92/47/862689247.db2.gz AQMADTNKSDCSKW-UHFFFAOYSA-N 0 0 415.468 4.482 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)ccc1C(F)(F)F ZINC000409539288 855532305 /nfs/dbraw/zinc/53/23/05/855532305.db2.gz VPDCLEJKEYAEBF-UHFFFAOYSA-N 0 0 410.392 4.194 20 30 HIEDRN CC[C@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409566211 855543154 /nfs/dbraw/zinc/54/31/54/855543154.db2.gz VOFZKDTXBNLPOM-HRAATJIYSA-N 0 0 421.513 4.254 20 30 HIEDRN CC(C)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409572154 855545946 /nfs/dbraw/zinc/54/59/46/855545946.db2.gz YMNKSYGQWKBIGH-UHFFFAOYSA-N 0 0 400.397 4.315 20 30 HIEDRN Cc1nc(SCC(=O)NCc2ccc(-c3cccnc3)cc2)c(C#N)c(C)c1C ZINC000437381834 862692954 /nfs/dbraw/zinc/69/29/54/862692954.db2.gz CLIYBLHLPFZDBQ-UHFFFAOYSA-N 0 0 402.523 4.349 20 30 HIEDRN COc1cc([C@H](C)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1OCC(C)C ZINC000409585352 855553853 /nfs/dbraw/zinc/55/38/53/855553853.db2.gz OJRROMRPWZKEKE-KRWDZBQOSA-N 0 0 418.497 4.278 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)cc2)c1 ZINC000409645716 855580381 /nfs/dbraw/zinc/58/03/81/855580381.db2.gz PBKNLPZSEVPTHD-NRFANRHFSA-N 0 0 417.509 4.328 20 30 HIEDRN COc1coc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cc1=O ZINC000409648799 855582202 /nfs/dbraw/zinc/58/22/02/855582202.db2.gz MLVCUMDBWDIBMJ-UHFFFAOYSA-N 0 0 410.813 4.005 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCCc2nn(C)cc21 ZINC000409649429 855582332 /nfs/dbraw/zinc/58/23/32/855582332.db2.gz PPVAVQQYOJKKCF-FQEVSTJZSA-N 0 0 400.482 4.238 20 30 HIEDRN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409685108 855600859 /nfs/dbraw/zinc/60/08/59/855600859.db2.gz GFLWDTXDRYVZJD-UHFFFAOYSA-N 0 0 401.470 4.289 20 30 HIEDRN C[C@H](Nc1ccc(C(F)(F)F)c(C#N)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000409712265 855615896 /nfs/dbraw/zinc/61/58/96/855615896.db2.gz NXJCYUDXXDWSLU-VBKZILBWSA-N 0 0 405.420 4.709 20 30 HIEDRN C[C@H](Nc1ccc(C(F)(F)F)c(C#N)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000409712267 855616127 /nfs/dbraw/zinc/61/61/27/855616127.db2.gz NXJCYUDXXDWSLU-XOBRGWDASA-N 0 0 405.420 4.709 20 30 HIEDRN N#Cc1cccc(-c2c[nH]c(CNc3ccnc4c(Br)ccc(F)c34)n2)c1 ZINC000409721549 855620221 /nfs/dbraw/zinc/62/02/21/855620221.db2.gz MCHXVDKYMHHZLO-UHFFFAOYSA-N 0 0 422.261 4.432 20 30 HIEDRN Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000409723991 855620993 /nfs/dbraw/zinc/62/09/93/855620993.db2.gz ZEGJYVAJWDJWQW-UHFFFAOYSA-N 0 0 407.477 4.290 20 30 HIEDRN Cc1nc(NC(=O)C2(c3ccccc3Cl)CCOCC2)sc1SCC#N ZINC000409819718 855671726 /nfs/dbraw/zinc/67/17/26/855671726.db2.gz MWNRIKHIBROHSJ-UHFFFAOYSA-N 0 0 407.948 4.408 20 30 HIEDRN CCCC(=O)Nc1cccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1C ZINC000409822774 855673695 /nfs/dbraw/zinc/67/36/95/855673695.db2.gz JBGSTLALYNSZSY-UHFFFAOYSA-N 0 0 423.492 4.099 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC(Oc4ccccc4Cl)CC3)n2)c1 ZINC000409857362 855690896 /nfs/dbraw/zinc/69/08/96/855690896.db2.gz YPGIZNOXPOWEGB-UHFFFAOYSA-N 0 0 406.873 4.081 20 30 HIEDRN C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1)c1nc(C(=O)OCC)cs1 ZINC000409869087 855696704 /nfs/dbraw/zinc/69/67/04/855696704.db2.gz GUGVUYQWVZFLAF-CBBWQLFWSA-N 0 0 400.500 4.359 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cnccc2Oc2ccccc2)n1 ZINC000409940563 855736254 /nfs/dbraw/zinc/73/62/54/855736254.db2.gz WSFWDSXVCRAODJ-UHFFFAOYSA-N 0 0 415.840 4.837 20 30 HIEDRN N#Cc1cccnc1OC1CCC(NC(=O)c2cnccc2Oc2ccccc2)CC1 ZINC000409948905 855739711 /nfs/dbraw/zinc/73/97/11/855739711.db2.gz FAQOISJBSWJLKJ-UHFFFAOYSA-N 0 0 414.465 4.261 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)n1cnc(C#N)n1 ZINC000409968339 855751507 /nfs/dbraw/zinc/75/15/07/855751507.db2.gz UOHHFAOWIKBALJ-LLVKDONJSA-N 0 0 424.873 4.405 20 30 HIEDRN Cc1ccc(Sc2c(Cl)cccc2NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000437390460 862717324 /nfs/dbraw/zinc/71/73/24/862717324.db2.gz KWWUDHHKGULSAH-CQSZACIVSA-N 0 0 401.919 4.356 20 30 HIEDRN C[C@H](C(=O)N[C@@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)n1cnc(C#N)n1 ZINC000409985863 855762733 /nfs/dbraw/zinc/76/27/33/855762733.db2.gz ZUAGJKPKJQYGOF-NWDGAFQWSA-N 0 0 419.432 4.335 20 30 HIEDRN Cc1cc(CNC(=O)c2cccc(SCC#N)c2)ccc1I ZINC000410031939 855787224 /nfs/dbraw/zinc/78/72/24/855787224.db2.gz YTFUKFOMNZKCAU-UHFFFAOYSA-N 0 0 422.291 4.145 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1=O ZINC000410105040 855821927 /nfs/dbraw/zinc/82/19/27/855821927.db2.gz MCVQVXTWNXWSPN-PMACEKPBSA-N 0 0 416.493 4.044 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](CO)c3cccc(Cl)c3F)cc2)nc1 ZINC000410109985 855824056 /nfs/dbraw/zinc/82/40/56/855824056.db2.gz MVSPINCXAJAAGE-SFHVURJKSA-N 0 0 411.820 4.001 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)N(Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC000410109779 855824269 /nfs/dbraw/zinc/82/42/69/855824269.db2.gz YOKLDEFOFMGDFP-MRXNPFEDSA-N 0 0 417.303 4.352 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N[C@H](c2nccs2)c2ccccc2)ccc1C(F)(F)F ZINC000410115423 855826985 /nfs/dbraw/zinc/82/69/85/855826985.db2.gz GWKKMZNPEYZEPG-INIZCTEOSA-N 0 0 423.441 4.101 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)c1ccc(Br)cc1I ZINC000410133766 855834177 /nfs/dbraw/zinc/83/41/77/855834177.db2.gz JCKBVXFHXJLPQW-SNVBAGLBSA-N 0 0 408.077 4.138 20 30 HIEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000410137301 855835180 /nfs/dbraw/zinc/83/51/80/855835180.db2.gz MPUMZMIOLYOCOD-ROUUACIJSA-N 0 0 415.559 4.081 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)CO1 ZINC000410138965 855835326 /nfs/dbraw/zinc/83/53/26/855835326.db2.gz WAERVNRZFZPFHK-KUHUBIRLSA-N 0 0 424.444 4.036 20 30 HIEDRN Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)cc1 ZINC000410141473 855835985 /nfs/dbraw/zinc/83/59/85/855835985.db2.gz UWCGLCBWTGXQTR-UHFFFAOYSA-N 0 0 424.444 4.118 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1O ZINC000410171375 855849143 /nfs/dbraw/zinc/84/91/43/855849143.db2.gz LMSNRKCBSNJNPB-UHFFFAOYSA-N 0 0 408.351 4.263 20 30 HIEDRN C=CCN(C(=O)N[C@H](c1ccc(F)cc1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000410183147 855853583 /nfs/dbraw/zinc/85/35/83/855853583.db2.gz ACXFUDKGPSRHPH-JTSKRJEESA-N 0 0 422.508 4.457 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410186616 855854641 /nfs/dbraw/zinc/85/46/41/855854641.db2.gz AIKBXGFMGMVEFU-UHFFFAOYSA-N 0 0 416.928 4.487 20 30 HIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410220706 855867341 /nfs/dbraw/zinc/86/73/41/855867341.db2.gz SWBKWVXGAGJAND-HXUWFJFHSA-N 0 0 408.901 4.389 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2ccc3c(c2)[C@H](NC(=O)c2ccc(C#N)cc2)CCC3)cc1 ZINC000410239202 855876650 /nfs/dbraw/zinc/87/66/50/855876650.db2.gz WQGLPGIIZSYHKI-XMMPIXPASA-N 0 0 420.472 4.490 20 30 HIEDRN N#Cc1ccc(CSCC(=O)N[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000410252546 855881869 /nfs/dbraw/zinc/88/18/69/855881869.db2.gz BBXVMCTZAOGWEB-KRWDZBQOSA-N 0 0 417.328 4.194 20 30 HIEDRN C=CCc1cc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc(OC)c1OC ZINC000410323292 855928295 /nfs/dbraw/zinc/92/82/95/855928295.db2.gz GQLLYLGBMWZJBZ-UHFFFAOYSA-N 0 0 406.526 4.100 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000410339880 855937483 /nfs/dbraw/zinc/93/74/83/855937483.db2.gz VJEFMWVPPJVMHK-MRXNPFEDSA-N 0 0 415.449 4.175 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@]3(c4ccc(Cl)cc4)C[C@H]3C)C2)n1 ZINC000410385972 855965912 /nfs/dbraw/zinc/96/59/12/855965912.db2.gz WGBFZAQGQHGEHS-TWWFPWMWSA-N 0 0 408.933 4.183 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl ZINC000410397097 855972706 /nfs/dbraw/zinc/97/27/06/855972706.db2.gz JESIYUUBGPPAIY-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410403778 855978426 /nfs/dbraw/zinc/97/84/26/855978426.db2.gz FIPFCBUTOMGLNM-UHFFFAOYSA-N 0 0 412.387 4.065 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000410405249 855979456 /nfs/dbraw/zinc/97/94/56/855979456.db2.gz IDBOGTRXJINZDI-CQSZACIVSA-N 0 0 407.495 4.376 20 30 HIEDRN CN(Cc1cc(Cl)ccc1F)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410418997 855988361 /nfs/dbraw/zinc/98/83/61/855988361.db2.gz CKPJMOMUWXETFQ-UHFFFAOYSA-N 0 0 406.788 4.190 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)ccc1F ZINC000425942497 856011388 /nfs/dbraw/zinc/01/13/88/856011388.db2.gz FSRALCZBLDZKQX-UHFFFAOYSA-N 0 0 403.413 4.053 20 30 HIEDRN COC(=O)c1cc(NC(=O)c2occc2COc2cccc(C#N)c2)cc2[nH]ccc21 ZINC000425984830 856030988 /nfs/dbraw/zinc/03/09/88/856030988.db2.gz LZYXONYLLQEUEF-UHFFFAOYSA-N 0 0 415.405 4.250 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1ccc(C#N)cc1 ZINC000426001504 856039124 /nfs/dbraw/zinc/03/91/24/856039124.db2.gz LAAQFOUHYVUAMI-INIZCTEOSA-N 0 0 410.433 4.038 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1c2c(sc1-n1cccc1)CCC2 ZINC000426027525 856055626 /nfs/dbraw/zinc/05/56/26/856055626.db2.gz IFYABRWPXKIXKW-UHFFFAOYSA-N 0 0 405.523 4.188 20 30 HIEDRN CCC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000437404255 862755492 /nfs/dbraw/zinc/75/54/92/862755492.db2.gz NBOSVQBNMQAIJM-UHFFFAOYSA-N 0 0 411.461 4.012 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000426070104 856086282 /nfs/dbraw/zinc/08/62/82/856086282.db2.gz NDMOOUDMXNKDFH-WFASDCNBSA-N 0 0 405.296 4.310 20 30 HIEDRN CC(C)[C@](C)(C#N)NC(=O)c1cc(I)c(Cl)cc1Cl ZINC000426093733 856103729 /nfs/dbraw/zinc/10/37/29/856103729.db2.gz YMCPASFEQMGOQM-ZDUSSCGKSA-N 0 0 411.070 4.266 20 30 HIEDRN CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000426148981 856140162 /nfs/dbraw/zinc/14/01/62/856140162.db2.gz LEHLMBIWJMGCRV-KRWDZBQOSA-N 0 0 403.269 4.134 20 30 HIEDRN COCCCN(CCc1ccc(OC)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426157395 856144991 /nfs/dbraw/zinc/14/49/91/856144991.db2.gz STIBDLBIQHJNHV-UHFFFAOYSA-N 0 0 401.894 4.333 20 30 HIEDRN CC(C)c1cnc(NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000426210636 856178274 /nfs/dbraw/zinc/17/82/74/856178274.db2.gz ZZNWCMIEFXZZHN-UHFFFAOYSA-N 0 0 420.494 4.294 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426274053 856214393 /nfs/dbraw/zinc/21/43/93/856214393.db2.gz ARPBPONXXPVXSQ-UHFFFAOYSA-N 0 0 418.375 4.383 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000426276909 856215517 /nfs/dbraw/zinc/21/55/17/856215517.db2.gz JKYREJWRPPQUIV-PBHICJAKSA-N 0 0 420.271 4.369 20 30 HIEDRN N#Cc1cccc(NCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1 ZINC000426332945 856250021 /nfs/dbraw/zinc/25/00/21/856250021.db2.gz SRUSKMAAEJAXOT-UHFFFAOYSA-N 0 0 402.267 4.063 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000426359965 856259415 /nfs/dbraw/zinc/25/94/15/856259415.db2.gz JQBVOFBBDHKMLF-NYLDSWQDSA-N 0 0 411.546 4.429 20 30 HIEDRN COc1cc(Cc2noc(-c3ccc(C#N)o3)n2)cc(Cl)c1OCC(F)(F)F ZINC000426423606 856283602 /nfs/dbraw/zinc/28/36/02/856283602.db2.gz ZGZJMOFLTFNTFR-UHFFFAOYSA-N 0 0 413.739 4.395 20 30 HIEDRN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)CNc1cccc(C#N)c1 ZINC000426425265 856284347 /nfs/dbraw/zinc/28/43/47/856284347.db2.gz AGKUXISQWFPIRL-UHFFFAOYSA-N 0 0 402.498 4.497 20 30 HIEDRN N#Cc1cccc(NCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1 ZINC000426447238 856294915 /nfs/dbraw/zinc/29/49/15/856294915.db2.gz IEZZJHMMANWFTH-UHFFFAOYSA-N 0 0 400.269 4.160 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCCCc2cccc(F)c2)ccc1Oc1ccccc1 ZINC000426502218 856322107 /nfs/dbraw/zinc/32/21/07/856322107.db2.gz YYCLAAOBEUJDPT-UHFFFAOYSA-N 0 0 417.440 4.177 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NC2(c3ccccc3F)CC2)ccc1Oc1ccccc1 ZINC000426522728 856333323 /nfs/dbraw/zinc/33/33/23/856333323.db2.gz LXSKLNJHDPTMEN-UHFFFAOYSA-N 0 0 415.424 4.234 20 30 HIEDRN C=C(C)COc1cc(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])ccc1OC ZINC000426755693 856458963 /nfs/dbraw/zinc/45/89/63/856458963.db2.gz FESRJBKPOLYALB-SFHVURJKSA-N 0 0 407.869 4.228 20 30 HIEDRN C=CCOc1c(Br)cc(C[NH2+][C@H](CC(=O)[O-])c2ccc(C)o2)cc1OC ZINC000426786783 856478025 /nfs/dbraw/zinc/47/80/25/856478025.db2.gz YMQLFYPNOMOFQX-OAHLLOKOSA-N 0 0 424.291 4.230 20 30 HIEDRN CC(C)COc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1Cl ZINC000437428296 862802984 /nfs/dbraw/zinc/80/29/84/862802984.db2.gz LXSLGAZLHHJETE-UHFFFAOYSA-N 0 0 406.269 4.477 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)CC(=O)c2ccccc2)cc1C ZINC000426904657 856535636 /nfs/dbraw/zinc/53/56/36/856535636.db2.gz IXAYWPBLEIVOCK-LJQANCHMSA-N 0 0 414.509 4.472 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000426945348 856555496 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HIEDRN N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000427010213 856593882 /nfs/dbraw/zinc/59/38/82/856593882.db2.gz XMXOEYSWJZPGKW-FQEVSTJZSA-N 0 0 405.889 4.377 20 30 HIEDRN Cc1sc(NC(=O)CN2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c(C#N)c1C ZINC000427020980 856598899 /nfs/dbraw/zinc/59/88/99/856598899.db2.gz DGYZZGOXMNXMCV-KPZWWZAWSA-N 0 0 403.935 4.291 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000427020724 856599090 /nfs/dbraw/zinc/59/90/90/856599090.db2.gz GLUXTZUBJYOUNB-GFCCVEGCSA-N 0 0 420.296 4.468 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000427020430 856599160 /nfs/dbraw/zinc/59/91/60/856599160.db2.gz FKJMWWABTVWIPY-UHFFFAOYSA-N 0 0 417.843 4.057 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)cc2)ccn1 ZINC000427027452 856602238 /nfs/dbraw/zinc/60/22/38/856602238.db2.gz NXLFENSAJAWKDU-FCHUYYIVSA-N 0 0 418.497 4.113 20 30 HIEDRN C=C(C)CNC(=O)C(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C ZINC000427040099 856607192 /nfs/dbraw/zinc/60/71/92/856607192.db2.gz FBYWCCHADSCZGJ-UHFFFAOYSA-N 0 0 408.477 4.363 20 30 HIEDRN C=C(C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000427047721 856609996 /nfs/dbraw/zinc/60/99/96/856609996.db2.gz XWWGZBUOWYGZLT-UHFFFAOYSA-N 0 0 403.360 4.000 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3ccc(Cl)cc3F)cc2)c1 ZINC000427080901 856625484 /nfs/dbraw/zinc/62/54/84/856625484.db2.gz PIBWETAAHQYFPU-UHFFFAOYSA-N 0 0 423.831 4.398 20 30 HIEDRN C=CCn1c(=O)c2ccsc2nc1S[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000427101258 856637647 /nfs/dbraw/zinc/63/76/47/856637647.db2.gz OOROKZOVTOLTJW-OAHLLOKOSA-N 0 0 417.943 4.195 20 30 HIEDRN C=CCC[C@H](C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1)c1ccccc1 ZINC000427115698 856647085 /nfs/dbraw/zinc/64/70/85/856647085.db2.gz CMONSTBWANYSKW-NRFANRHFSA-N 0 0 418.541 4.126 20 30 HIEDRN Cc1ccc(-n2nccc2NC(=O)c2ccc(Sc3ccccc3C#N)cc2)nn1 ZINC000427121540 856651402 /nfs/dbraw/zinc/65/14/02/856651402.db2.gz JJSVMBHSWOOZQI-UHFFFAOYSA-N 0 0 412.478 4.246 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1F ZINC000437456860 862821437 /nfs/dbraw/zinc/82/14/37/862821437.db2.gz BNYUVJHPVXKDER-MRXNPFEDSA-N 0 0 419.412 4.070 20 30 HIEDRN C=CC[C@H](C(=O)N1CCCN(Cc2csc([C@H](C)OC)n2)CC1)c1ccccc1 ZINC000427164068 856683537 /nfs/dbraw/zinc/68/35/37/856683537.db2.gz LDVQMXYPFFJTBK-RXVVDRJESA-N 0 0 413.587 4.245 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000427174328 856690645 /nfs/dbraw/zinc/69/06/45/856690645.db2.gz JAUDJNRHBHHEIJ-UHFFFAOYSA-N 0 0 403.324 4.364 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1F ZINC000437464750 862827128 /nfs/dbraw/zinc/82/71/28/862827128.db2.gz DGHNVRBWMHGQME-NRFANRHFSA-N 0 0 417.396 4.218 20 30 HIEDRN COc1ccc(CN(C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1O ZINC000427254197 856738160 /nfs/dbraw/zinc/73/81/60/856738160.db2.gz XITWGVAQGDIMKC-UHFFFAOYSA-N 0 0 402.450 4.124 20 30 HIEDRN N#Cc1ccc(F)cc1Cn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC000427261971 856742624 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HIEDRN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427455982 856828036 /nfs/dbraw/zinc/82/80/36/856828036.db2.gz MXSPHPOFVGLTFB-LSDHHAIUSA-N 0 0 409.301 4.168 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1Cl ZINC000427456575 856828904 /nfs/dbraw/zinc/82/89/04/856828904.db2.gz PXWCAJVMRLTLEY-UHFFFAOYSA-N 0 0 424.888 4.308 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427457945 856828948 /nfs/dbraw/zinc/82/89/48/856828948.db2.gz WITCEBNWUNQZGB-QVKFZJNVSA-N 0 0 406.873 4.017 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000437482718 862840942 /nfs/dbraw/zinc/84/09/42/862840942.db2.gz JWPUGBNAFDOWQQ-RTWAWAEBSA-N 0 0 403.482 4.423 20 30 HIEDRN COc1cc(CNC(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1O ZINC000427502429 856843588 /nfs/dbraw/zinc/84/35/88/856843588.db2.gz QOTMLPCEAUUJQP-UHFFFAOYSA-N 0 0 420.490 4.362 20 30 HIEDRN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000427558443 856865470 /nfs/dbraw/zinc/86/54/70/856865470.db2.gz YZZZHQGHIYWQJL-GFCCVEGCSA-N 0 0 423.328 4.444 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000437487675 862845550 /nfs/dbraw/zinc/84/55/50/862845550.db2.gz ZQAQSTDFULPWPX-PGRDOPGGSA-N 0 0 404.514 4.390 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1)c1ccccc1 ZINC000427579213 856875778 /nfs/dbraw/zinc/87/57/78/856875778.db2.gz JYVHLDAQKGEXDS-QFIPXVFZSA-N 0 0 421.541 4.238 20 30 HIEDRN N#Cc1ccc(Oc2ccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)nc1 ZINC000427596153 856882064 /nfs/dbraw/zinc/88/20/64/856882064.db2.gz ZBTSPGUTJPZHCX-UHFFFAOYSA-N 0 0 414.421 4.459 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000437499092 862854719 /nfs/dbraw/zinc/85/47/19/862854719.db2.gz OXYUNAHHXQEKDQ-MGPUTAFESA-N 0 0 410.543 4.452 20 30 HIEDRN Cc1cc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000427765062 856945008 /nfs/dbraw/zinc/94/50/08/856945008.db2.gz WMVMLUOKVVBDJL-UHFFFAOYSA-N 0 0 418.472 4.013 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccc1Cl ZINC000427779758 856950749 /nfs/dbraw/zinc/95/07/49/856950749.db2.gz LULMWDKQKNFPPG-ZDUSSCGKSA-N 0 0 421.975 4.115 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000437499100 862854347 /nfs/dbraw/zinc/85/43/47/862854347.db2.gz OXYUNAHHXQEKDQ-YWZLYKJASA-N 0 0 410.543 4.452 20 30 HIEDRN N#Cc1cccc(CS(=O)(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1 ZINC000427786925 856954307 /nfs/dbraw/zinc/95/43/07/856954307.db2.gz FJEDRSZJIUMQHB-UHFFFAOYSA-N 0 0 403.507 4.115 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000437503901 862856529 /nfs/dbraw/zinc/85/65/29/862856529.db2.gz GEHFKRHLDJGQGG-RDTXWAMCSA-N 0 0 410.461 4.469 20 30 HIEDRN CCOc1ccc(NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F ZINC000437503986 862856629 /nfs/dbraw/zinc/85/66/29/862856629.db2.gz YYHNQZOSTLCNEM-CYBMUJFWSA-N 0 0 401.463 4.053 20 30 HIEDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000427898948 856997947 /nfs/dbraw/zinc/99/79/47/856997947.db2.gz CGQHPVJRJZQIDK-NRFANRHFSA-N 0 0 401.466 4.159 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2cc(Br)c(OC)cc2OC)cc1OC ZINC000427950376 857019671 /nfs/dbraw/zinc/01/96/71/857019671.db2.gz MKQFZOSEHOEPNN-UHFFFAOYSA-N 0 0 422.275 4.292 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000437518017 862863107 /nfs/dbraw/zinc/86/31/07/862863107.db2.gz RYACDBNNBVIYIX-KUHUBIRLSA-N 0 0 420.303 4.332 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC ZINC000437517120 862863281 /nfs/dbraw/zinc/86/32/81/862863281.db2.gz JOAUGCYEMGCRRP-MHECFPHRSA-N 0 0 417.509 4.259 20 30 HIEDRN Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000427984902 857033348 /nfs/dbraw/zinc/03/33/48/857033348.db2.gz REXGOEIQLZZNFM-UHFFFAOYSA-N 0 0 415.858 4.166 20 30 HIEDRN COc1ccc(F)cc1CN1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000428005856 857038247 /nfs/dbraw/zinc/03/82/47/857038247.db2.gz LMRMAKLCTXNNRM-UHFFFAOYSA-N 0 0 423.513 4.187 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000428006978 857039476 /nfs/dbraw/zinc/03/94/76/857039476.db2.gz RUIVHPKGZNVANN-UHFFFAOYSA-N 0 0 400.467 4.322 20 30 HIEDRN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000428007037 857039614 /nfs/dbraw/zinc/03/96/14/857039614.db2.gz SHEXPMLHZYRQJB-RTBURBONSA-N 0 0 420.395 4.006 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000437532291 862869650 /nfs/dbraw/zinc/86/96/50/862869650.db2.gz CTPFDCQMWKZYCO-UHFFFAOYSA-N 0 0 412.902 4.459 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1ccccc1 ZINC000428033262 857050009 /nfs/dbraw/zinc/05/00/09/857050009.db2.gz QNTYHAJUDHUFQV-AUSIDOKSSA-N 0 0 406.526 4.220 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)CCSCC(=O)Nc1ccc(Br)cc1 ZINC000428034503 857050039 /nfs/dbraw/zinc/05/00/39/857050039.db2.gz DFSKPODSDPGOKD-INIZCTEOSA-N 0 0 411.365 4.078 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000428039282 857051548 /nfs/dbraw/zinc/05/15/48/857051548.db2.gz DHMARUILKMOQAO-INIZCTEOSA-N 0 0 422.909 4.461 20 30 HIEDRN C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1nc(C(C)(C)C)no1 ZINC000437522858 862865498 /nfs/dbraw/zinc/86/54/98/862865498.db2.gz BLBIWVAISSAIOT-LBPRGKRZSA-N 0 0 410.503 4.169 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000437523667 862866029 /nfs/dbraw/zinc/86/60/29/862866029.db2.gz KWVJHPCQTJXPNU-XIKOKIGWSA-N 0 0 409.349 4.089 20 30 HIEDRN COc1cc(COc2ccc([N+](=O)[O-])c(CO)c2)ccc1OCc1cccc(C#N)c1 ZINC000428080542 857066418 /nfs/dbraw/zinc/06/64/18/857066418.db2.gz PBLUSMJGOHEHAH-UHFFFAOYSA-N 0 0 420.421 4.125 20 30 HIEDRN Cc1ccc(C(=O)NC2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)s1 ZINC000428097394 857070725 /nfs/dbraw/zinc/07/07/25/857070725.db2.gz OZCWJWLFJWABJJ-UHFFFAOYSA-N 0 0 408.571 4.336 20 30 HIEDRN C[C@@H]1CN(c2ccc(CNc3nc4c(cc3C#N)CCCC4(C)C)cn2)C[C@H](C)O1 ZINC000428101898 857071637 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20 30 HIEDRN Cc1cc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)ccc1Oc1ccncc1 ZINC000428211042 857112939 /nfs/dbraw/zinc/11/29/39/857112939.db2.gz SMDVDYWYPBXPAW-UHFFFAOYSA-N 0 0 410.437 4.074 20 30 HIEDRN Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)s1 ZINC000428215897 857115378 /nfs/dbraw/zinc/11/53/78/857115378.db2.gz NIYNBYLIEUCDRT-CYBMUJFWSA-N 0 0 424.457 4.071 20 30 HIEDRN C=CCC[C@@H](NC(=O)NCC1([S@@](C)=O)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000437539705 862874423 /nfs/dbraw/zinc/87/44/23/862874423.db2.gz UGPSFTNHLLFLEK-CHAGWJKLSA-N 0 0 402.482 4.313 20 30 HIEDRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428283589 857141274 /nfs/dbraw/zinc/14/12/74/857141274.db2.gz URFOJQLUJKGHRA-UHFFFAOYSA-N 0 0 418.497 4.143 20 30 HIEDRN N#CCCn1ncc(C(=O)NCc2cccc(Br)c2)c1-c1ccccc1 ZINC000428291869 857143610 /nfs/dbraw/zinc/14/36/10/857143610.db2.gz VEILVXFFOFDLIJ-UHFFFAOYSA-N 0 0 409.287 4.156 20 30 HIEDRN CCCc1nc(C)c(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000428304748 857146766 /nfs/dbraw/zinc/14/67/66/857146766.db2.gz YVVRKLPDCYMYHZ-SFHVURJKSA-N 0 0 417.351 4.081 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O)c1ccccc1 ZINC000437544518 862876670 /nfs/dbraw/zinc/87/66/70/862876670.db2.gz GIBKDSOBETVESF-YUXAGFNASA-N 0 0 414.571 4.476 20 30 HIEDRN CO[C@H](C)c1nc(CN2CCCN(CC#Cc3ccc(Cl)cc3)CC2)cs1 ZINC000437548034 862879243 /nfs/dbraw/zinc/87/92/43/862879243.db2.gz QHEIKSWNXHLXDN-QGZVFWFLSA-N 0 0 403.979 4.063 20 30 HIEDRN Cc1sc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c(C#N)c1C ZINC000428368516 857177707 /nfs/dbraw/zinc/17/77/07/857177707.db2.gz DXAXWZGGWPICEU-IBGZPJMESA-N 0 0 408.527 4.040 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)S(=O)(=O)c1cccnc1C#N ZINC000428372692 857181854 /nfs/dbraw/zinc/18/18/54/857181854.db2.gz JITSMBWFBLDDRB-OAHLLOKOSA-N 0 0 412.540 4.075 20 30 HIEDRN N#Cc1c(F)cccc1CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000428384487 857184761 /nfs/dbraw/zinc/18/47/61/857184761.db2.gz OBRSIRCLSJULMH-AWEZNQCLSA-N 0 0 403.383 4.138 20 30 HIEDRN CN(C)C(=O)COc1ccccc1CNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000428412540 857196280 /nfs/dbraw/zinc/19/62/80/857196280.db2.gz WLHMFVPUZIXCMR-UHFFFAOYSA-N 0 0 401.466 4.430 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000437557436 862884676 /nfs/dbraw/zinc/88/46/76/862884676.db2.gz MFBDQUFAGWVGLN-UHFFFAOYSA-N 0 0 415.396 4.058 20 30 HIEDRN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000428511312 857232735 /nfs/dbraw/zinc/23/27/35/857232735.db2.gz BKDZHKLRXYPBHE-DGGJZMOXSA-N 0 0 400.482 4.147 20 30 HIEDRN COc1cccc(C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428530210 857243741 /nfs/dbraw/zinc/24/37/41/857243741.db2.gz VYYDCLXXWZZFIK-UHFFFAOYSA-N 0 0 402.498 4.180 20 30 HIEDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)n2)c1 ZINC000428616195 857279284 /nfs/dbraw/zinc/27/92/84/857279284.db2.gz FNYJJNJCLNQCBC-MRXNPFEDSA-N 0 0 424.464 4.330 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCN(CC3CC3)c3ccccc32)c1-c1ccccc1 ZINC000428626477 857282298 /nfs/dbraw/zinc/28/22/98/857282298.db2.gz QGHAENUGNXHLKM-UHFFFAOYSA-N 0 0 411.509 4.341 20 30 HIEDRN CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000428728627 857311763 /nfs/dbraw/zinc/31/17/63/857311763.db2.gz FSUWCBYHCDWTFH-JOCHJYFZSA-N 0 0 413.525 4.205 20 30 HIEDRN CCOc1ccc(-c2nc(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428770573 857328558 /nfs/dbraw/zinc/32/85/58/857328558.db2.gz GGZOUBZQBHCMQW-FQEVSTJZSA-N 0 0 406.511 4.129 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)nc1 ZINC000428786392 857339034 /nfs/dbraw/zinc/33/90/34/857339034.db2.gz ICXKHJGRUKWDGM-FYYLOGMGSA-N 0 0 423.476 4.246 20 30 HIEDRN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428796612 857345961 /nfs/dbraw/zinc/34/59/61/857345961.db2.gz ZMGIDFPGIFCUOO-AOMKIAJQSA-N 0 0 406.461 4.109 20 30 HIEDRN Cc1nc(C)n(Cc2cccc(NC(=O)Nc3cccc(OCCCC#N)c3)c2)n1 ZINC000428797547 857346995 /nfs/dbraw/zinc/34/69/95/857346995.db2.gz DIGQTQFCOLKWKO-UHFFFAOYSA-N 0 0 404.474 4.270 20 30 HIEDRN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428811620 857356030 /nfs/dbraw/zinc/35/60/30/857356030.db2.gz JUIDGMCYTJTLNG-ISKFKSNPSA-N 0 0 412.493 4.095 20 30 HIEDRN C[C@H](NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1)c1ccc(C#N)cc1 ZINC000428823617 857361299 /nfs/dbraw/zinc/36/12/99/857361299.db2.gz OBVDLLPYTIASLO-BTYIYWSLSA-N 0 0 405.889 4.494 20 30 HIEDRN C=CCN(CCC#N)CCOc1cc(Br)c(OC)cc1Br ZINC000428843021 857369417 /nfs/dbraw/zinc/36/94/17/857369417.db2.gz UOPVJSKQRNEUGW-UHFFFAOYSA-N 0 0 418.129 4.001 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000428867087 857378073 /nfs/dbraw/zinc/37/80/73/857378073.db2.gz IVTWCMBTZFPBHP-ROUUACIJSA-N 0 0 413.543 4.058 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000428890597 857394357 /nfs/dbraw/zinc/39/43/57/857394357.db2.gz VCXMEXHKYRDUIA-KUNJGFBQSA-N 0 0 401.557 4.482 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000428897755 857398643 /nfs/dbraw/zinc/39/86/43/857398643.db2.gz SJSYNCPHEDGVHJ-UHFFFAOYSA-N 0 0 413.543 4.454 20 30 HIEDRN N#Cc1cc(NC(=O)CCc2nnc[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000428931938 857424032 /nfs/dbraw/zinc/42/40/32/857424032.db2.gz QRFASDVIGXWTND-UHFFFAOYSA-N 0 0 401.348 4.059 20 30 HIEDRN CC(=O)N(c1nc(Cn2c(C)nc(C#N)c2C#N)cs1)c1c(C)cc(C)cc1C ZINC000428936274 857426053 /nfs/dbraw/zinc/42/60/53/857426053.db2.gz ZZRJSECHHNKUOB-UHFFFAOYSA-N 0 0 404.499 4.050 20 30 HIEDRN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1N1CCNC1=O ZINC000429000712 857451394 /nfs/dbraw/zinc/45/13/94/857451394.db2.gz ABRHDBRACKNFAQ-UHFFFAOYSA-N 0 0 424.526 4.069 20 30 HIEDRN Cc1cc(Sc2ccccc2)ccc1NC(=O)N(CCC#N)CCN1CCOCC1 ZINC000429024993 857463142 /nfs/dbraw/zinc/46/31/42/857463142.db2.gz FIECURMESKBUFY-UHFFFAOYSA-N 0 0 424.570 4.226 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000429047573 857475785 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20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000429214069 857557481 /nfs/dbraw/zinc/55/74/81/857557481.db2.gz LNZSIYLWNZGTEV-UHFFFAOYSA-N 0 0 421.314 4.902 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000429223976 857563431 /nfs/dbraw/zinc/56/34/31/857563431.db2.gz VICYRAWHFKKZSV-UHFFFAOYSA-N 0 0 412.456 4.336 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000429362463 857621684 /nfs/dbraw/zinc/62/16/84/857621684.db2.gz MICVTKNVUAYDAR-QGZVFWFLSA-N 0 0 403.486 4.215 20 30 HIEDRN CC[C@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000429373849 857629461 /nfs/dbraw/zinc/62/94/61/857629461.db2.gz TYODXSFBUBGWRS-NRFANRHFSA-N 0 0 406.486 4.134 20 30 HIEDRN CC(C)c1nc([C@H]2CCCN2C(=O)NC2CCC(Oc3ccccc3C#N)CC2)no1 ZINC000429493426 857696062 /nfs/dbraw/zinc/69/60/62/857696062.db2.gz RKKMECXECXHQIL-CTWPCTMYSA-N 0 0 423.517 4.301 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000429512400 857707805 /nfs/dbraw/zinc/70/78/05/857707805.db2.gz BGBDMBPZRLQZDB-UHFFFAOYSA-N 0 0 424.302 4.229 20 30 HIEDRN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)c3nc4c(nccc4C)[nH]3)cc12 ZINC000429568526 857755164 /nfs/dbraw/zinc/75/51/64/857755164.db2.gz IZQDLRCSTIEJHO-INIZCTEOSA-N 0 0 412.478 4.465 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429576919 857763407 /nfs/dbraw/zinc/76/34/07/857763407.db2.gz DJQODXVCYIXDLW-UHFFFAOYSA-N 0 0 409.421 4.199 20 30 HIEDRN C[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@@H](c2ccccc2)O1 ZINC000429594196 857777730 /nfs/dbraw/zinc/77/77/30/857777730.db2.gz QBJNWCQMPBDENM-AVRDEDQJSA-N 0 0 400.482 4.066 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000429600398 857782460 /nfs/dbraw/zinc/78/24/60/857782460.db2.gz VPPPJDSSTRDGCH-UHFFFAOYSA-N 0 0 403.404 4.131 20 30 HIEDRN N#Cc1cccc(CNC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000429700205 857841776 /nfs/dbraw/zinc/84/17/76/857841776.db2.gz HTCFTZKPHMTYDN-UHFFFAOYSA-N 0 0 415.375 4.023 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C=C[C@@H](CC(=O)NC[C@H](CO)Cc1cccc(Br)c1)c1ccccc1 ZINC000430137548 858048931 /nfs/dbraw/zinc/04/89/31/858048931.db2.gz ZBHASOWFIYORGW-MSOLQXFVSA-N 0 0 402.332 4.076 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000437649038 862981703 /nfs/dbraw/zinc/98/17/03/862981703.db2.gz HKKZUTINIXEOEH-IFMALSPDSA-N 0 0 407.514 4.028 20 30 HIEDRN N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCCC[C@@H]3c3ccccc3)n2)c1 ZINC000430210549 858083728 /nfs/dbraw/zinc/08/37/28/858083728.db2.gz DNEDELXDFIDGOY-HXUWFJFHSA-N 0 0 416.506 4.374 20 30 HIEDRN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000430220782 858086637 /nfs/dbraw/zinc/08/66/37/858086637.db2.gz QGFHVTUCAYKSGQ-LIRRHRJNSA-N 0 0 400.404 4.187 20 30 HIEDRN Cc1cn2c(nc(C)c2CN(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)s1 ZINC000430279532 858107209 /nfs/dbraw/zinc/10/72/09/858107209.db2.gz UEFMQYKOVVBJTE-UHFFFAOYSA-N 0 0 418.526 4.062 20 30 HIEDRN C=CCN(C)C(=O)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000430317638 858120237 /nfs/dbraw/zinc/12/02/37/858120237.db2.gz HADHRXWVVVRVME-UHFFFAOYSA-N 0 0 419.319 4.364 20 30 HIEDRN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C#N)cc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000430369180 858136472 /nfs/dbraw/zinc/13/64/72/858136472.db2.gz NKPVMLNDHVEBJT-UHFFFAOYSA-N 0 0 409.833 4.234 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000430388285 858143072 /nfs/dbraw/zinc/14/30/72/858143072.db2.gz XTDINQBFAUJPMP-XZOQPEGZSA-N 0 0 413.477 4.133 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430437602 858162159 /nfs/dbraw/zinc/16/21/59/858162159.db2.gz KKISSRONRZIJCB-UHFFFAOYSA-N 0 0 409.445 4.464 20 30 HIEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000437657700 862995088 /nfs/dbraw/zinc/99/50/88/862995088.db2.gz RIQSBPACJDOLGA-QFIPXVFZSA-N 0 0 401.514 4.140 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000430577602 858225094 /nfs/dbraw/zinc/22/50/94/858225094.db2.gz CPZQKKSHLGELIT-VUNKPPBISA-N 0 0 404.510 4.459 20 30 HIEDRN N#CCSc1cccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000430589046 858228923 /nfs/dbraw/zinc/22/89/23/858228923.db2.gz GWMMDEGHVKOYRE-UHFFFAOYSA-N 0 0 400.450 4.316 20 30 HIEDRN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)s1 ZINC000430650694 858248230 /nfs/dbraw/zinc/24/82/30/858248230.db2.gz VEYALXCZPQOPIC-NSHDSACASA-N 0 0 421.316 4.464 20 30 HIEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)c1cccc(SCC#N)c1)O[C@H](C)C2 ZINC000430693288 858271195 /nfs/dbraw/zinc/27/11/95/858271195.db2.gz MYVHWHOEAIIGLX-WNYOCNMUSA-N 0 0 408.523 4.310 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000430725027 858278553 /nfs/dbraw/zinc/27/85/53/858278553.db2.gz POWXEWVHOIFWNW-UHFFFAOYSA-N 0 0 406.467 4.469 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccc(OCC(F)(F)F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430790793 858306639 /nfs/dbraw/zinc/30/66/39/858306639.db2.gz AXAWDJVPTFWEHG-LJQANCHMSA-N 0 0 418.415 4.189 20 30 HIEDRN O=C(NCc1c(F)cc(F)c(F)c1F)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000430811506 858313196 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ZMVIJOOSCWYULR-GOSISDBHSA-N 0 0 418.852 4.018 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccccc2OCC(F)(F)F)C(=O)[C@@H]1Cc1ccccc1 ZINC000431012597 858404142 /nfs/dbraw/zinc/40/41/42/858404142.db2.gz GIYBLGFSJYLSGF-SFHVURJKSA-N 0 0 418.415 4.189 20 30 HIEDRN C=CCN1C(=O)N(C[C@@H]2CCCO[C@@H]2c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431019606 858405694 /nfs/dbraw/zinc/40/56/94/858405694.db2.gz QYRWTRCCCBZWON-RJGXRXQPSA-N 0 0 404.510 4.216 20 30 HIEDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)cc1 ZINC000431026797 858408289 /nfs/dbraw/zinc/40/82/89/858408289.db2.gz GFHFAQRAIOTUSE-SFHVURJKSA-N 0 0 422.554 4.285 20 30 HIEDRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2(CC#N)CC2)cc1 ZINC000431134926 858463503 /nfs/dbraw/zinc/46/35/03/858463503.db2.gz ZCWBEPNIGHYCIW-UHFFFAOYSA-N 0 0 400.482 4.031 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)nn1-c1ccc(Br)cc1 ZINC000431170737 858485475 /nfs/dbraw/zinc/48/54/75/858485475.db2.gz YNEWFRBLUWQURK-GOSISDBHSA-N 0 0 413.250 4.077 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cccc(Oc3ccc(C#N)cc3)c1)C[C@H](C)O2 ZINC000431244236 858526638 /nfs/dbraw/zinc/52/66/38/858526638.db2.gz HRAJKVCJFPVDBJ-NXMSCROESA-N 0 0 406.482 4.149 20 30 HIEDRN Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(O[C@H]2CCOC2)c1 ZINC000431291488 858549229 /nfs/dbraw/zinc/54/92/29/858549229.db2.gz DZXOSKYPPSOUPZ-FCHUYYIVSA-N 0 0 407.514 4.397 20 30 HIEDRN N#Cc1csc(C(=O)N2CCCN(C(=O)c3cc(C#N)cs3)c3ccccc32)c1 ZINC000437704523 863037345 /nfs/dbraw/zinc/03/73/45/863037345.db2.gz NNXZKKJEJYIWRM-UHFFFAOYSA-N 0 0 418.503 4.250 20 30 HIEDRN COc1ccc(C2=NN(C(=O)CNc3cccc(C#N)c3C)[C@@H](c3ccco3)C2)cc1 ZINC000431319147 858561951 /nfs/dbraw/zinc/56/19/51/858561951.db2.gz OPTJKRHSZOMFAU-JOCHJYFZSA-N 0 0 414.465 4.258 20 30 HIEDRN CCn1nc(C)c(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C ZINC000431336855 858571060 /nfs/dbraw/zinc/57/10/60/858571060.db2.gz KQDWRXQBRSDFHH-UHFFFAOYSA-N 0 0 404.489 4.302 20 30 HIEDRN C=CCN(C(=O)NC[C@H]1CCCCC(F)(F)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000431384464 858589125 /nfs/dbraw/zinc/58/91/25/858589125.db2.gz SOJALWQSAVYENI-SJORKVTESA-N 0 0 418.492 4.137 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)NCc3cccc4c3OCCCO4)s2)cc1 ZINC000431405804 858598985 /nfs/dbraw/zinc/59/89/85/858598985.db2.gz JSDDDGYYZUOVLD-UHFFFAOYSA-N 0 0 420.494 4.089 20 30 HIEDRN CCOC(=O)c1cnc2c(F)c(F)ccc2c1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000431423909 858608142 /nfs/dbraw/zinc/60/81/42/858608142.db2.gz WPSMSYNOQWEAFX-IBGZPJMESA-N 0 0 423.419 4.139 20 30 HIEDRN COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 ZINC000431489482 858640536 /nfs/dbraw/zinc/64/05/36/858640536.db2.gz YXFCUOOZNZQGRO-JOCHJYFZSA-N 0 0 411.461 4.488 20 30 HIEDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ncc(C#N)cc1Cl ZINC000431564985 858672403 /nfs/dbraw/zinc/67/24/03/858672403.db2.gz KNOQANJMKTYBPG-UHFFFAOYSA-N 0 0 416.268 4.362 20 30 HIEDRN Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)cc2F)c1 ZINC000431627637 858698052 /nfs/dbraw/zinc/69/80/52/858698052.db2.gz IDCMLPOXOLPMRX-FQEVSTJZSA-N 0 0 412.490 4.033 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC000431632234 858701319 /nfs/dbraw/zinc/70/13/19/858701319.db2.gz GYZFFFNTBMVZHR-MRXNPFEDSA-N 0 0 411.296 4.302 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437723629 863053686 /nfs/dbraw/zinc/05/36/86/863053686.db2.gz KVTWDCZFNLRSBV-HKARXFIJSA-N 0 0 405.498 4.064 20 30 HIEDRN COc1ccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1Br ZINC000431645620 858709127 /nfs/dbraw/zinc/70/91/27/858709127.db2.gz YTJCCHQYJXRMMI-QGZVFWFLSA-N 0 0 423.332 4.171 20 30 HIEDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000431663509 858722186 /nfs/dbraw/zinc/72/21/86/858722186.db2.gz XBBUQCLDGNXYPA-UHFFFAOYSA-N 0 0 402.479 4.393 20 30 HIEDRN COc1ccc(NC(=O)[C@@](N)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1F ZINC000431745448 858783088 /nfs/dbraw/zinc/78/30/88/858783088.db2.gz QRAWRBSSWJZJDL-HNNXBMFYSA-N 0 0 410.289 4.208 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000431755893 858791647 /nfs/dbraw/zinc/79/16/47/858791647.db2.gz FAUDWEYWJZSFCJ-SFHVURJKSA-N 0 0 403.507 4.393 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000431786684 858810643 /nfs/dbraw/zinc/81/06/43/858810643.db2.gz SFGWRIQVUAORBH-DZGCQCFKSA-N 0 0 420.332 4.103 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000431802637 858818371 /nfs/dbraw/zinc/81/83/71/858818371.db2.gz UDQQCYBZVLICGO-UHFFFAOYSA-N 0 0 414.506 4.308 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000431811948 858823732 /nfs/dbraw/zinc/82/37/32/858823732.db2.gz RPYZVDMVVJEYPE-MRXNPFEDSA-N 0 0 407.392 4.241 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000431811946 858823941 /nfs/dbraw/zinc/82/39/41/858823941.db2.gz RPYZVDMVVJEYPE-INIZCTEOSA-N 0 0 407.392 4.241 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(OCCn2cncn2)c1 ZINC000431842262 858836256 /nfs/dbraw/zinc/83/62/56/858836256.db2.gz FWGDDAJYXGAAGM-UHFFFAOYSA-N 0 0 403.467 4.004 20 30 HIEDRN CCN([C@H](c1cccnc1)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431906751 858864384 /nfs/dbraw/zinc/86/43/84/858864384.db2.gz IEJHIKLNGLXDIC-OAQYLSRUSA-N 0 0 413.449 4.032 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCCCCn1cc(Br)cn1)c1ccccc1 ZINC000431908487 858865218 /nfs/dbraw/zinc/86/52/18/858865218.db2.gz CENAGTMGUSTLBZ-SFHVURJKSA-N 0 0 418.339 4.160 20 30 HIEDRN CCN([C@@H](c1ccc(Cl)cc1)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000431922421 858871063 /nfs/dbraw/zinc/87/10/63/858871063.db2.gz DWODCNDJKOKWOT-NRFANRHFSA-N 0 0 411.914 4.407 20 30 HIEDRN CCN([C@@H](c1cccnc1)c1ccc(F)c(C)c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000431921947 858871097 /nfs/dbraw/zinc/87/10/97/858871097.db2.gz IEAMQVRKDVUIAH-JOCHJYFZSA-N 0 0 409.486 4.201 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cccc(OCC(F)(F)F)c2)c1 ZINC000431932213 858876547 /nfs/dbraw/zinc/87/65/47/858876547.db2.gz WTIHTLBAJLOFMI-UHFFFAOYSA-N 0 0 400.303 4.282 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000431954684 858885721 /nfs/dbraw/zinc/88/57/21/858885721.db2.gz RGEOSYKQEIETJA-UHFFFAOYSA-N 0 0 404.470 4.055 20 30 HIEDRN Cc1nc(-c2ccc([C@@H](C)NC(=O)C(=O)Nc3cccc(C#N)c3C)cc2)cs1 ZINC000431974674 858897090 /nfs/dbraw/zinc/89/70/90/858897090.db2.gz SJXQIGYCTLEEHG-CQSZACIVSA-N 0 0 404.495 4.115 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nccn2CC)cc1 ZINC000431978652 858899697 /nfs/dbraw/zinc/89/96/97/858899697.db2.gz ZFRDFFSOUFGJGJ-OAQYLSRUSA-N 0 0 421.545 4.476 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000431994303 858911556 /nfs/dbraw/zinc/91/15/56/858911556.db2.gz VYTYFURSFHQZAD-UHFFFAOYSA-N 0 0 401.388 4.015 20 30 HIEDRN N#CCCC[C@@H](c1ccccc1)N1C(=O)N[C@H](c2ccc(Br)cc2)C1=O ZINC000432035413 858943360 /nfs/dbraw/zinc/94/33/60/858943360.db2.gz UVJFFAVEZLHOOF-ZWKOTPCHSA-N 0 0 412.287 4.477 20 30 HIEDRN COc1cc2c(c(OC)c1OC)CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 ZINC000432045393 858948579 /nfs/dbraw/zinc/94/85/79/858948579.db2.gz DLSLQZMKVUXBNY-UHFFFAOYSA-N 0 0 406.404 4.208 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@]2(CCCOC2)O1 ZINC000432060437 858958651 /nfs/dbraw/zinc/95/86/51/858958651.db2.gz FPWHWTAZIKKPAN-HXOBKFHXSA-N 0 0 407.470 4.152 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@]2(CCCOC2)O1 ZINC000432060900 858960095 /nfs/dbraw/zinc/96/00/95/858960095.db2.gz LDFPDWSUJBXUNO-HXOBKFHXSA-N 0 0 407.470 4.152 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000432076228 858971541 /nfs/dbraw/zinc/97/15/41/858971541.db2.gz CNSPULBULBWPGH-IERDGZPVSA-N 0 0 403.548 4.273 20 30 HIEDRN N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432082273 858976681 /nfs/dbraw/zinc/97/66/81/858976681.db2.gz ZKVRFXVXQNLTOZ-UHFFFAOYSA-N 0 0 417.687 4.351 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(NC(=O)N(C)C)cc1 ZINC000432103423 858991532 /nfs/dbraw/zinc/99/15/32/858991532.db2.gz RDZNRCUOTABFNI-HNNXBMFYSA-N 0 0 411.531 4.354 20 30 HIEDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000432136188 859009962 /nfs/dbraw/zinc/00/99/62/859009962.db2.gz BEBJAZLLUBPPBK-INIZCTEOSA-N 0 0 423.567 4.419 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccnc(Oc3ccccc3Br)c2)CC1 ZINC000432169992 859028082 /nfs/dbraw/zinc/02/80/82/859028082.db2.gz OJCZIWDNXMIEGT-UHFFFAOYSA-N 0 0 401.264 4.452 20 30 HIEDRN C=CCn1c(SCC2(O)CCC(C(=O)OCC)CC2)nnc1-c1cccc(C)c1 ZINC000432253749 859069763 /nfs/dbraw/zinc/06/97/63/859069763.db2.gz PNDUASCQBYKCGN-UHFFFAOYSA-N 0 0 415.559 4.016 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000432256117 859070826 /nfs/dbraw/zinc/07/08/26/859070826.db2.gz RPHNERJRAIWKFA-HNNXBMFYSA-N 0 0 413.319 4.277 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1C#N ZINC000432266064 859075095 /nfs/dbraw/zinc/07/50/95/859075095.db2.gz XIIHDTYIOIODLB-UHFFFAOYSA-N 0 0 415.497 4.412 20 30 HIEDRN COc1cccc(OC)c1Oc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cn1 ZINC000432295006 859089612 /nfs/dbraw/zinc/08/96/12/859089612.db2.gz UZAQWRLZVLQXQK-UHFFFAOYSA-N 0 0 418.453 4.393 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cc1Cl ZINC000432300631 859092506 /nfs/dbraw/zinc/09/25/06/859092506.db2.gz FVSSOBHVIJULFJ-AWEZNQCLSA-N 0 0 400.809 4.457 20 30 HIEDRN CN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000432343129 859110942 /nfs/dbraw/zinc/11/09/42/859110942.db2.gz RNTHDJLUJRHDOM-UHFFFAOYSA-N 0 0 406.788 4.190 20 30 HIEDRN N#Cc1nn(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c2ccccc12 ZINC000432459640 859173151 /nfs/dbraw/zinc/17/31/51/859173151.db2.gz ZYDRCXIBHDYUOW-QHCPKHFHSA-N 0 0 400.869 4.467 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000432463121 859174816 /nfs/dbraw/zinc/17/48/16/859174816.db2.gz MFOADYNKBMORGE-ZIAGYGMSSA-N 0 0 410.905 4.286 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000432463119 859174849 /nfs/dbraw/zinc/17/48/49/859174849.db2.gz MFOADYNKBMORGE-KBPBESRZSA-N 0 0 410.905 4.286 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)NCC[C@H](c3ccccc3)C(F)(F)F)CCO2)c1 ZINC000432464178 859175775 /nfs/dbraw/zinc/17/57/75/859175775.db2.gz MDRJULPPCMPERT-WOJBJXKFSA-N 0 0 417.431 4.377 20 30 HIEDRN COc1ccccc1C1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCCC1 ZINC000432483187 859186872 /nfs/dbraw/zinc/18/68/72/859186872.db2.gz MVTBKQZOPHPPPD-UHFFFAOYSA-N 0 0 419.525 4.304 20 30 HIEDRN COc1cc(C#N)cc(Br)c1OCc1ncc(Br)s1 ZINC000432490472 859190734 /nfs/dbraw/zinc/19/07/34/859190734.db2.gz CYAJXKGJAWRGOZ-UHFFFAOYSA-N 0 0 404.083 4.127 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c(Cl)c1 ZINC000432493235 859191935 /nfs/dbraw/zinc/19/19/35/859191935.db2.gz JFKNLTMIEZVJIY-UHFFFAOYSA-N 0 0 403.269 4.138 20 30 HIEDRN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1nc(C#N)c2ccccc21 ZINC000432493332 859191939 /nfs/dbraw/zinc/19/19/39/859191939.db2.gz LDTZLXSEWMFCRZ-UHFFFAOYSA-N 0 0 420.450 4.045 20 30 HIEDRN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000432504985 859198447 /nfs/dbraw/zinc/19/84/47/859198447.db2.gz IZUCUZXGNJLPBJ-QFIPXVFZSA-N 0 0 400.486 4.081 20 30 HIEDRN C=CCn1c(SCc2ncnn2C(C)C)nc2sc3c(c2c1=O)CCCCC3 ZINC000432559809 859227289 /nfs/dbraw/zinc/22/72/89/859227289.db2.gz SIUPBTMICAZTHM-UHFFFAOYSA-N 0 0 415.588 4.378 20 30 HIEDRN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000432591940 859243497 /nfs/dbraw/zinc/24/34/97/859243497.db2.gz JQAIYEOAPGECAC-CQSZACIVSA-N 0 0 401.413 4.146 20 30 HIEDRN COc1ccc([C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000432597142 859246606 /nfs/dbraw/zinc/24/66/06/859246606.db2.gz XKGNCGMKLUYKBW-NRFANRHFSA-N 0 0 421.497 4.048 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000432603682 859250790 /nfs/dbraw/zinc/25/07/90/859250790.db2.gz WEKUBGCJGUGQPO-WMZHIEFXSA-N 0 0 407.470 4.152 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3ccccc3)C3CC3)CC2)c(F)c1 ZINC000432625039 859260125 /nfs/dbraw/zinc/26/01/25/859260125.db2.gz YRUGWJXQELAAPC-OAQYLSRUSA-N 0 0 407.489 4.444 20 30 HIEDRN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)cn2)C[C@@H](C)O1 ZINC000432651399 859273863 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HIEDRN Cc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3SCCC#N)CCC2)cc1C ZINC000435307803 860729877 /nfs/dbraw/zinc/72/98/77/860729877.db2.gz RQWVWGIGGDWSGP-UHFFFAOYSA-N 0 0 421.566 4.486 20 30 HIEDRN Cc1ccc(C2(CNC(=O)C(=O)Nc3cccc(OCCCC#N)c3)CCC2)cc1C ZINC000435315404 860731890 /nfs/dbraw/zinc/73/18/90/860731890.db2.gz UEEQHCOPTVKZLX-UHFFFAOYSA-N 0 0 419.525 4.163 20 30 HIEDRN Cc1c(NC(=O)N(CCC#N)Cc2ccccn2)cc(Br)cc1[N+](=O)[O-] ZINC000435329626 860741553 /nfs/dbraw/zinc/74/15/53/860741553.db2.gz QGNCBNCBCNEKFS-UHFFFAOYSA-N 0 0 418.251 4.009 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000435333680 860744710 /nfs/dbraw/zinc/74/47/10/860744710.db2.gz SCMOPDCHPOFFQL-IBGZPJMESA-N 0 0 413.518 4.061 20 30 HIEDRN N#Cc1cc(F)c(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c(F)c1 ZINC000435355116 860756419 /nfs/dbraw/zinc/75/64/19/860756419.db2.gz BIQOZEVEKYMNMU-JTQLQIEISA-N 0 0 401.360 4.332 20 30 HIEDRN CCc1nc(COc2ccc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)cc2)no1 ZINC000435356339 860757444 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C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)c1ccccc1 ZINC000435741372 861022234 /nfs/dbraw/zinc/02/22/34/861022234.db2.gz OMXVRJOMOWMVNC-HXUWFJFHSA-N 0 0 406.461 4.082 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000435740113 861022684 /nfs/dbraw/zinc/02/26/84/861022684.db2.gz ZVLPKWBXHWKVTB-SFHVURJKSA-N 0 0 406.404 4.390 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(OCc2ccncc2)cc1)c1ccccc1 ZINC000435744441 861025903 /nfs/dbraw/zinc/02/59/03/861025903.db2.gz XMBIGNDTAMNYDP-QHCPKHFHSA-N 0 0 415.493 4.423 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1 ZINC000435749099 861029331 /nfs/dbraw/zinc/02/93/31/861029331.db2.gz REFPQZZZFUVUCK-HSZRJFAPSA-N 0 0 422.525 4.254 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1OC)c1ccccc1 ZINC000435748084 861029691 /nfs/dbraw/zinc/02/96/91/861029691.db2.gz COVUQPQHCNMHAB-INIZCTEOSA-N 0 0 417.303 4.220 20 30 HIEDRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)ccc1C#N ZINC000435753732 861032828 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403.486 4.454 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000438061614 863433111 /nfs/dbraw/zinc/43/31/11/863433111.db2.gz TZZCVEAEKKGSPS-PKOBYXMFSA-N 0 0 407.352 4.352 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000438061938 863434526 /nfs/dbraw/zinc/43/45/26/863434526.db2.gz VMKKWDKCGNZJES-XUZZJYLKSA-N 0 0 424.541 4.397 20 30 HIEDRN CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438068639 863449609 /nfs/dbraw/zinc/44/96/09/863449609.db2.gz AEIPREMLIXVSLT-UHFFFAOYSA-N 0 0 421.504 4.390 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1ccc(OCC)c(OCC)c1)C(C)C ZINC000438069118 863450335 /nfs/dbraw/zinc/45/03/35/863450335.db2.gz ZYBDMEDJZMOAHG-NYVOZVTQSA-N 0 0 404.551 4.462 20 30 HIEDRN CCOC(=O)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 ZINC000438069541 863450748 /nfs/dbraw/zinc/45/07/48/863450748.db2.gz FQHKSGSHFVAUEQ-AEFFLSMTSA-N 0 0 411.527 4.407 20 30 HIEDRN CN(Cc1ccccc1)c1ccccc1NC(=O)NCCOc1ccc(C#N)cc1 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/nfs/dbraw/zinc/40/76/43/872407643.db2.gz FZOGCRORPQICMP-LLVKDONJSA-N 0 0 416.359 4.342 20 30 HIEDRN CC(C)N(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cnc2ccccc2c1 ZINC000448460887 872417193 /nfs/dbraw/zinc/41/71/93/872417193.db2.gz GTGQHHRHKKBKGH-UHFFFAOYSA-N 0 0 421.522 4.367 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000448481758 872462055 /nfs/dbraw/zinc/46/20/55/872462055.db2.gz QBHVTMAWAUERFS-UHFFFAOYSA-N 0 0 413.724 4.317 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(-c4cccc(F)c4)on3)o2)cc1 ZINC000448540060 872543768 /nfs/dbraw/zinc/54/37/68/872543768.db2.gz YJVJWWIURMGJMG-UHFFFAOYSA-N 0 0 403.369 4.777 20 30 HIEDRN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448539960 872544417 /nfs/dbraw/zinc/54/44/17/872544417.db2.gz WTMCAMCHPVBJPX-IRLDBZIGSA-N 0 0 413.905 4.207 20 30 HIEDRN C[C@H](c1nccs1)N1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000468566670 882625344 /nfs/dbraw/zinc/62/53/44/882625344.db2.gz SUHFRFZQFLVCJS-QGZVFWFLSA-N 0 0 417.538 4.277 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000460152383 872677891 /nfs/dbraw/zinc/67/78/91/872677891.db2.gz UAHQSCQJUOGMLT-GFCCVEGCSA-N 0 0 416.359 4.281 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000460180696 872741905 /nfs/dbraw/zinc/74/19/05/872741905.db2.gz YZSJUINYJXGRQS-ICSRJNTNSA-N 0 0 401.514 4.440 20 30 HIEDRN CCn1c(Cc2ccccc2Cl)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC000460197870 872772821 /nfs/dbraw/zinc/77/28/21/872772821.db2.gz RJCWHCBHFPMLIK-UHFFFAOYSA-N 0 0 420.948 4.131 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC000460209073 872792488 /nfs/dbraw/zinc/79/24/88/872792488.db2.gz CYOFOEZNRKGUMW-NRFANRHFSA-N 0 0 403.486 4.099 20 30 HIEDRN CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(CCC#N)CCC(C)C ZINC000460213352 872798004 /nfs/dbraw/zinc/79/80/04/872798004.db2.gz RXIMCLYMPNXYHG-UHFFFAOYSA-N 0 0 421.549 4.022 20 30 HIEDRN COc1cc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)ccc1C#N ZINC000460266604 872854889 /nfs/dbraw/zinc/85/48/89/872854889.db2.gz CSCNHYJGCTZEEH-UHFFFAOYSA-N 0 0 414.303 4.208 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cc1 ZINC000460282987 872872322 /nfs/dbraw/zinc/87/23/22/872872322.db2.gz SHERFOISRQMSCU-UHFFFAOYSA-N 0 0 403.394 4.068 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000460290441 872880919 /nfs/dbraw/zinc/88/09/19/872880919.db2.gz QLKQSVGLEQUVMK-YWZLYKJASA-N 0 0 407.905 4.456 20 30 HIEDRN CC(C)n1c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2nc1C(F)(F)F ZINC000460293248 872884025 /nfs/dbraw/zinc/88/40/25/872884025.db2.gz JYLJWTQOXKMBOA-UHFFFAOYSA-N 0 0 416.403 4.316 20 30 HIEDRN CCc1nc(C)c([C@H](C)N(C)c2nnc(COc3ccc(C#N)cc3)n2CC)s1 ZINC000460293340 872884553 /nfs/dbraw/zinc/88/45/53/872884553.db2.gz YYXHZZHFHFUCIN-HNNXBMFYSA-N 0 0 410.547 4.273 20 30 HIEDRN CCn1c(-c2cc3ccccc3o2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC000460310440 872897072 /nfs/dbraw/zinc/89/70/72/872897072.db2.gz IJDICVMPUJGAMY-UHFFFAOYSA-N 0 0 401.470 4.236 20 30 HIEDRN C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000460327007 872926139 /nfs/dbraw/zinc/92/61/39/872926139.db2.gz VOYMMSCYIJBIEL-UHFFFAOYSA-N 0 0 416.408 4.443 20 30 HIEDRN CCC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)C1 ZINC000460329586 872933925 /nfs/dbraw/zinc/93/39/25/872933925.db2.gz CUCBDOHTLRJSSQ-IBGZPJMESA-N 0 0 409.917 4.393 20 30 HIEDRN N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccnc(-n3cncn3)c2)c1 ZINC000460335678 872943044 /nfs/dbraw/zinc/94/30/44/872943044.db2.gz OUMJZGONLBOMGQ-UHFFFAOYSA-N 0 0 414.856 4.034 20 30 HIEDRN CNC(=O)c1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c1 ZINC000460339604 872950302 /nfs/dbraw/zinc/95/03/02/872950302.db2.gz PDZMZGCKLNRWSJ-UHFFFAOYSA-N 0 0 403.869 4.418 20 30 HIEDRN COCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000460347984 872966003 /nfs/dbraw/zinc/96/60/03/872966003.db2.gz KIQJAAHYNGVGMV-ZWKOTPCHSA-N 0 0 404.388 4.240 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2C[C@H](C)C[C@H]2c2cccnc2)c1C#N ZINC000460354685 872975723 /nfs/dbraw/zinc/97/57/23/872975723.db2.gz AUXLYLPNQONSGN-ZHRRBRCNSA-N 0 0 417.513 4.035 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](OC)C[C@@H]1C ZINC000460366800 873000086 /nfs/dbraw/zinc/00/00/86/873000086.db2.gz AMZQGVRRLCGFIP-STQMWFEESA-N 0 0 411.369 4.349 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC000460369642 873004363 /nfs/dbraw/zinc/00/43/63/873004363.db2.gz MGLWNWQCALMLMA-MRXNPFEDSA-N 0 0 413.572 4.249 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)CC[C@H]1C ZINC000460369859 873004387 /nfs/dbraw/zinc/00/43/87/873004387.db2.gz KJBVVYDDHRBULE-QZTJIDSGSA-N 0 0 420.561 4.437 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC000460368823 873004569 /nfs/dbraw/zinc/00/45/69/873004569.db2.gz GRMIEYZMPKZJTP-PXNSSMCTSA-N 0 0 418.545 4.020 20 30 HIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000460371739 873007439 /nfs/dbraw/zinc/00/74/39/873007439.db2.gz CMRSKZGHBAUVBP-QGZVFWFLSA-N 0 0 423.477 4.277 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)c2ccccc21 ZINC000460372378 873008795 /nfs/dbraw/zinc/00/87/95/873008795.db2.gz XLDRFBHZKMYYIB-MRXNPFEDSA-N 0 0 412.497 4.023 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000460373631 873009749 /nfs/dbraw/zinc/00/97/49/873009749.db2.gz HZOVVPFWGRNHKA-HKUYNNGSSA-N 0 0 421.570 4.228 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(CCCO)[C@H]1CCc2ccccc21 ZINC000460373347 873010457 /nfs/dbraw/zinc/01/04/57/873010457.db2.gz GUGJIFIJWMDEIJ-NRFANRHFSA-N 0 0 408.571 4.383 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CC(C)(C)C ZINC000460375523 873013572 /nfs/dbraw/zinc/01/35/72/873013572.db2.gz YQLYZNRKNUISAE-GOSISDBHSA-N 0 0 416.591 4.330 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCC[C@H](OCCC)CC1 ZINC000460375035 873013707 /nfs/dbraw/zinc/01/37/07/873013707.db2.gz JWSCFULKZRHBFR-SFHVURJKSA-N 0 0 414.550 4.324 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC000460376379 873014705 /nfs/dbraw/zinc/01/47/05/873014705.db2.gz SYKJGWYWAPNHEY-UHFFFAOYSA-N 0 0 418.570 4.095 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC[C@H](SC)C1 ZINC000460378773 873018161 /nfs/dbraw/zinc/01/81/61/873018161.db2.gz ZMJUEVGBRDJAFW-KRWDZBQOSA-N 0 0 400.548 4.014 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H]2CCC[C@H]21 ZINC000460381616 873024042 /nfs/dbraw/zinc/02/40/42/873024042.db2.gz SHVZINQTLDOOGQ-OLZOCXBDSA-N 0 0 409.353 4.103 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(CC)C1CCCC1 ZINC000460385049 873027750 /nfs/dbraw/zinc/02/77/50/873027750.db2.gz KPEZOSIPACCLRA-UHFFFAOYSA-N 0 0 406.534 4.020 20 30 HIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000460385110 873028803 /nfs/dbraw/zinc/02/88/03/873028803.db2.gz FREAXYGRNNVLLD-LJQANCHMSA-N 0 0 422.533 4.419 20 30 HIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000460386260 873029165 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HIEDRN COc1cccc(O[C@H](C)CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC000460537723 873235363 /nfs/dbraw/zinc/23/53/63/873235363.db2.gz OYHKPBDJIKYOOY-GOSISDBHSA-N 0 0 416.477 4.343 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000460541087 873241642 /nfs/dbraw/zinc/24/16/42/873241642.db2.gz BGYLPCYXFYPHCE-FQEVSTJZSA-N 0 0 410.905 4.458 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[C@H](OC)C[C@H]1C ZINC000460541844 873243693 /nfs/dbraw/zinc/24/36/93/873243693.db2.gz BGIDUWVYKZCOQE-MJGOQNOKSA-N 0 0 414.550 4.322 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1ccco1 ZINC000460543929 873246073 /nfs/dbraw/zinc/24/60/73/873246073.db2.gz KDHWDJFGBNZECJ-INIZCTEOSA-N 0 0 418.501 4.041 20 30 HIEDRN C=C(C)Cn1c(CCCc2ccccc2)nnc1N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000460548740 873254322 /nfs/dbraw/zinc/25/43/22/873254322.db2.gz ZIKJLYKSXSHKKN-PKTZIBPZSA-N 0 0 420.532 4.481 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H]2CCC[C@H]21 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C=CCn1c(SC[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccccn1 ZINC000462391017 875500842 /nfs/dbraw/zinc/50/08/42/875500842.db2.gz XERNDCCHFXQHKB-CYBMUJFWSA-N 0 0 400.454 4.415 20 30 HIEDRN CCCOc1ccc(Br)cc1CS(=O)(=O)c1ccc(C#N)cc1F ZINC000462407784 875514287 /nfs/dbraw/zinc/51/42/87/875514287.db2.gz GWGGOEKZEOSXTA-UHFFFAOYSA-N 0 0 412.280 4.223 20 30 HIEDRN CCCCN(C)C(=O)CSCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000462408310 875514761 /nfs/dbraw/zinc/51/47/61/875514761.db2.gz GWGWAPODGFUDCL-UHFFFAOYSA-N 0 0 404.580 4.022 20 30 HIEDRN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000462418043 875525240 /nfs/dbraw/zinc/52/52/40/875525240.db2.gz GLLRIQRSLAVDKF-KSSFIOAISA-N 0 0 424.444 4.036 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C(=O)c2ccc(CC)o2)CC1 ZINC000468894193 882942645 /nfs/dbraw/zinc/94/26/45/882942645.db2.gz IYZSEJDSQVSKGL-UHFFFAOYSA-N 0 0 408.502 4.026 20 30 HIEDRN COc1cc(CNC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)ccc1C#N ZINC000462472123 875578926 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C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2[N+](=O)[O-])C1 ZINC000464056811 877201495 /nfs/dbraw/zinc/20/14/95/877201495.db2.gz YEOIMZHGWIGDFN-GJZGRUSLSA-N 0 0 410.449 4.018 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000464096954 877252406 /nfs/dbraw/zinc/25/24/06/877252406.db2.gz PFJMOOJYLLAAMB-AWEZNQCLSA-N 0 0 416.884 4.151 20 30 HIEDRN CC[C@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2 ZINC000464111250 877266851 /nfs/dbraw/zinc/26/68/51/877266851.db2.gz XJHAIGXIUZNNQV-ABPVARSCSA-N 0 0 411.461 4.482 20 30 HIEDRN CC[C@H](C#N)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000464112159 877269113 /nfs/dbraw/zinc/26/91/13/877269113.db2.gz DBXWZPAKOUSNIL-GOSISDBHSA-N 0 0 423.314 4.263 20 30 HIEDRN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469045554 883116996 /nfs/dbraw/zinc/11/69/96/883116996.db2.gz NLGBDFVFTOFGJA-IBGZPJMESA-N 0 0 404.445 4.060 20 30 HIEDRN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2s1 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30 HIEDRN COc1ccc(CC[C@@H]2CCCCN2C(=O)NCCc2cccc(C#N)c2)cc1OC ZINC000466817678 880592193 /nfs/dbraw/zinc/59/21/93/880592193.db2.gz UMIJBIMYWWODRG-QFIPXVFZSA-N 0 0 421.541 4.315 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccncc1OCC(F)(F)F ZINC000466855405 880624543 /nfs/dbraw/zinc/62/45/43/880624543.db2.gz BWAJKWNSLHEZJL-ROUUACIJSA-N 0 0 418.419 4.004 20 30 HIEDRN N#C[C@H]1CSCCN1C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000466870133 880637608 /nfs/dbraw/zinc/63/76/08/880637608.db2.gz JEIJIVGCZOSLQK-ZDUSSCGKSA-N 0 0 419.915 4.481 20 30 HIEDRN CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000466879205 880647567 /nfs/dbraw/zinc/64/75/67/880647567.db2.gz WUGMITDIJFGLEC-NSHDSACASA-N 0 0 409.842 4.117 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@@H](c4ccccc4)C[C@H]3C)C2)n1 ZINC000466882939 880650307 /nfs/dbraw/zinc/65/03/07/880650307.db2.gz OBIMFQQNYUJZEB-LSWJPFSZSA-N 0 0 402.542 4.273 20 30 HIEDRN C=CCN(C(=O)N[C@H]1C[C@H](c2ccccc2C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000466914253 880683184 /nfs/dbraw/zinc/68/31/84/880683184.db2.gz QGJTVNPVTMLJAT-JBACZVJFSA-N 0 0 416.529 4.176 20 30 HIEDRN Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)co2)cc1 ZINC000466932975 880700945 /nfs/dbraw/zinc/70/09/45/880700945.db2.gz NKMHFTMDJRYLPQ-UHFFFAOYSA-N 0 0 421.400 4.019 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000466939985 880708599 /nfs/dbraw/zinc/70/85/99/880708599.db2.gz UPMHZANOLMDVPQ-DNQXCXABSA-N 0 0 421.541 4.193 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 ZINC000466954635 880735544 /nfs/dbraw/zinc/73/55/44/880735544.db2.gz NKFJIVKVZQMONM-RBBKRZOGSA-N 0 0 407.514 4.200 20 30 HIEDRN COC(=O)[C@H](NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cccc(C#N)c1 ZINC000467010556 880816155 /nfs/dbraw/zinc/81/61/55/880816155.db2.gz JIMUPEQJGXCJOL-FDDCHVKYSA-N 0 0 417.534 4.291 20 30 HIEDRN COC(=O)[C@H](NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cccc(C#N)c1 ZINC000467010559 880816265 /nfs/dbraw/zinc/81/62/65/880816265.db2.gz JIMUPEQJGXCJOL-WZONZLPQSA-N 0 0 417.534 4.291 20 30 HIEDRN COCc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000467019205 880821253 /nfs/dbraw/zinc/82/12/53/880821253.db2.gz VONVPASVRYTQEN-LJQANCHMSA-N 0 0 401.894 4.163 20 30 HIEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCCCC[C@H]1CC(=O)c1cccs1 ZINC000467066243 880848416 /nfs/dbraw/zinc/84/84/16/880848416.db2.gz VCKBWGGRTAPMQQ-KRWDZBQOSA-N 0 0 402.541 4.135 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2cccs2)c(Cl)c1 ZINC000467065995 880848452 /nfs/dbraw/zinc/84/84/52/880848452.db2.gz SOZDPIQLSPMCKT-OAHLLOKOSA-N 0 0 422.959 4.479 20 30 HIEDRN COC(=O)c1ccc(C(C)C)c(NC(=O)CCCOc2ccc(C#N)cc2OC)c1 ZINC000467069199 880849504 /nfs/dbraw/zinc/84/95/04/880849504.db2.gz PMHQZYPVPLTSNJ-UHFFFAOYSA-N 0 0 410.470 4.275 20 30 HIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000503549649 912616065 /nfs/dbraw/zinc/61/60/65/912616065.db2.gz GEEMVAPPHIZPCG-FPOVZHCZSA-N 0 0 420.513 4.324 20 30 HIEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(F)c1 ZINC000467144995 880885018 /nfs/dbraw/zinc/88/50/18/880885018.db2.gz VGNHHJJQXZUFLE-QGZVFWFLSA-N 0 0 422.503 4.296 20 30 HIEDRN Cc1oc(NC(=O)CN2CCC[C@H]2c2cc(F)cc(Br)c2)c(C#N)c1C ZINC000467180322 880907802 /nfs/dbraw/zinc/90/78/02/880907802.db2.gz LLKDHZVTYNESDF-KRWDZBQOSA-N 0 0 420.282 4.445 20 30 HIEDRN CC(C)N(CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000467182103 880909041 /nfs/dbraw/zinc/90/90/41/880909041.db2.gz RNKUIJLUAOCMNT-UHFFFAOYSA-N 0 0 422.273 4.448 20 30 HIEDRN Cc1ccccc1-c1noc([C@@H](C)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000467199161 880927795 /nfs/dbraw/zinc/92/77/95/880927795.db2.gz XQNRHIJCLMDULO-QGZVFWFLSA-N 0 0 415.497 4.328 20 30 HIEDRN Cc1c(=O)[nH]c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1-c1ccccc1 ZINC000467210117 880939131 /nfs/dbraw/zinc/93/91/31/880939131.db2.gz ADTLJBCNFLAZHG-LJQANCHMSA-N 0 0 416.506 4.317 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)ccc1C(C)C)c1ccccc1 ZINC000467234608 880960699 /nfs/dbraw/zinc/96/06/99/880960699.db2.gz DIBBOKDFVGFICP-HXUWFJFHSA-N 0 0 408.498 4.359 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467237289 880964141 /nfs/dbraw/zinc/96/41/41/880964141.db2.gz VPEMZCUKNVTEAI-PXNSSMCTSA-N 0 0 409.452 4.024 20 30 HIEDRN N#Cc1cccc(COc2cccc(NCCCS(=O)(=O)c3ccccc3)c2)c1 ZINC000467252541 880982428 /nfs/dbraw/zinc/98/24/28/880982428.db2.gz AHYSSOXFJCYOEW-UHFFFAOYSA-N 0 0 406.507 4.413 20 30 HIEDRN CN(Cc1cccc(Br)c1OCC(C)(C)O)Cc1cc(F)ccc1C#N ZINC000467265917 881004026 /nfs/dbraw/zinc/00/40/26/881004026.db2.gz KJOYMVDHEQDIKC-UHFFFAOYSA-N 0 0 421.310 4.242 20 30 HIEDRN CN(Cc1ccc(C#N)cc1F)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467266302 881005102 /nfs/dbraw/zinc/00/51/02/881005102.db2.gz PQVJWCGRTFYRBG-UHFFFAOYSA-N 0 0 421.310 4.242 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000467291949 881037369 /nfs/dbraw/zinc/03/73/69/881037369.db2.gz QPZBRJPAXNQLHH-UHFFFAOYSA-N 0 0 400.276 4.115 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-c2ccccn2)no1 ZINC000467294810 881040412 /nfs/dbraw/zinc/04/04/12/881040412.db2.gz DNXGASMZPUJDAM-UHFFFAOYSA-N 0 0 416.250 4.467 20 30 HIEDRN CCOc1ccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c2ncccc12 ZINC000467305309 881055067 /nfs/dbraw/zinc/05/50/67/881055067.db2.gz RLFHOQCZKLYKIU-NRFANRHFSA-N 0 0 402.454 4.111 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCc1cccc2cc[nH]c21 ZINC000467316887 881063479 /nfs/dbraw/zinc/06/34/79/881063479.db2.gz QGGYNQWJDXJHPY-UHFFFAOYSA-N 0 0 424.460 4.395 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000467340628 881091924 /nfs/dbraw/zinc/09/19/24/881091924.db2.gz JHHRTRRMBDUQQG-HOTGVXAUSA-N 0 0 415.588 4.306 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(F)c2)c1 ZINC000467407189 881192674 /nfs/dbraw/zinc/19/26/74/881192674.db2.gz MQCCTXWWWQYMQJ-GOSISDBHSA-N 0 0 422.504 4.317 20 30 HIEDRN COCc1nc2cc(N[C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)ccc2o1 ZINC000467431293 881227190 /nfs/dbraw/zinc/22/71/90/881227190.db2.gz XMMXDHYMJSYBNF-KRWDZBQOSA-N 0 0 406.486 4.338 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1F ZINC000467463846 881274027 /nfs/dbraw/zinc/27/40/27/881274027.db2.gz IXXOHLMHCYQNBB-WMZOPIPTSA-N 0 0 410.449 4.045 20 30 HIEDRN COC(=O)c1cccc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000467489109 881308296 /nfs/dbraw/zinc/30/82/96/881308296.db2.gz AYSLDUAWUSAFRK-UHFFFAOYSA-N 0 0 401.422 4.459 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N(C)Cc1cccc(C#N)c1 ZINC000503582303 912668214 /nfs/dbraw/zinc/66/82/14/912668214.db2.gz YJDUGUAXNDKZNH-INIZCTEOSA-N 0 0 418.522 4.331 20 30 HIEDRN C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000467516137 881330859 /nfs/dbraw/zinc/33/08/59/881330859.db2.gz GCJDYHSEINQLCP-MBSDFSHPSA-N 0 0 408.517 4.040 20 30 HIEDRN COc1cccc([C@H](C)CCCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000469078026 883163906 /nfs/dbraw/zinc/16/39/06/883163906.db2.gz RSIVXSGPHKMKSC-JPYJTQIMSA-N 0 0 419.525 4.152 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)n1 ZINC000469084865 883171779 /nfs/dbraw/zinc/17/17/79/883171779.db2.gz VTAVJGTZWXSAFF-UHFFFAOYSA-N 0 0 403.486 5.073 20 30 HIEDRN COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)CC(C)(C)C#N)CC2 ZINC000469090319 883177224 /nfs/dbraw/zinc/17/72/24/883177224.db2.gz XJXJYPVBZQGVLN-UHFFFAOYSA-N 0 0 407.514 4.140 20 30 HIEDRN N#CCCCn1cc(C(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc21 ZINC000469137592 883232803 /nfs/dbraw/zinc/23/28/03/883232803.db2.gz XSDQGPHUHWCNEG-UHFFFAOYSA-N 0 0 401.510 4.423 20 30 HIEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccnc4ccccc43)cc2)cc1 ZINC000503598524 912687318 /nfs/dbraw/zinc/68/73/18/912687318.db2.gz VPUWQPOZYBKALY-UHFFFAOYSA-N 0 0 422.444 4.154 20 30 HIEDRN COc1cccc(NC(=O)C[C@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000469186433 883285810 /nfs/dbraw/zinc/28/58/10/883285810.db2.gz JJIBNHREWCJOFD-KRWDZBQOSA-N 0 0 420.513 4.107 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)NCc3cc(F)cc(Br)c3)on2)c1 ZINC000469195082 883294442 /nfs/dbraw/zinc/29/44/42/883294442.db2.gz RXXRSCDIXHMTNH-UHFFFAOYSA-N 0 0 400.207 4.045 20 30 HIEDRN COCCSc1ccc([C@H](C)NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000469213884 883312550 /nfs/dbraw/zinc/31/25/50/883312550.db2.gz BPJSRRGCZAFFMT-HNNXBMFYSA-N 0 0 407.495 4.443 20 30 HIEDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000469231030 883329184 /nfs/dbraw/zinc/32/91/84/883329184.db2.gz FFGLYCCALWBFPF-HXUWFJFHSA-N 0 0 412.555 4.083 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)CC1(O)CCCC1)c1ccc2c(c1)OCCO2 ZINC000469250297 883346740 /nfs/dbraw/zinc/34/67/40/883346740.db2.gz XEQHIGDNHZWPGG-UHFFFAOYSA-N 0 0 423.509 4.251 20 30 HIEDRN C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1nc(-c2ccccc2)no1 ZINC000469261279 883358725 /nfs/dbraw/zinc/35/87/25/883358725.db2.gz UZEJFYLZGDIOGM-INIZCTEOSA-N 0 0 401.470 4.493 20 30 HIEDRN Cn1c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)nc2cc(Cl)ccc21 ZINC000469292526 883389623 /nfs/dbraw/zinc/38/96/23/883389623.db2.gz UPRNEJAFUJHSIL-UHFFFAOYSA-N 0 0 407.905 4.422 20 30 HIEDRN CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000469332285 883440265 /nfs/dbraw/zinc/44/02/65/883440265.db2.gz KOCDZCXBINDYFY-GOSISDBHSA-N 0 0 404.514 4.123 20 30 HIEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)Nc1cccc(Cl)c1 ZINC000469344909 883461841 /nfs/dbraw/zinc/46/18/41/883461841.db2.gz PINBIBDGAUPCNH-OAHLLOKOSA-N 0 0 410.905 4.362 20 30 HIEDRN Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469351370 883473032 /nfs/dbraw/zinc/47/30/32/883473032.db2.gz UULFNOXXLWJQKK-SFHVURJKSA-N 0 0 404.514 4.326 20 30 HIEDRN C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H]1n1ccnc1 ZINC000469381696 883519239 /nfs/dbraw/zinc/51/92/39/883519239.db2.gz PWDGNLPMDNQMID-IERDGZPVSA-N 0 0 404.445 4.409 20 30 HIEDRN C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1n1ccnc1 ZINC000469383646 883522271 /nfs/dbraw/zinc/52/22/71/883522271.db2.gz KVAKZVBPXJQOFA-JPYJTQIMSA-N 0 0 400.482 4.465 20 30 HIEDRN C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1n1ccnc1 ZINC000469391902 883545111 /nfs/dbraw/zinc/54/51/11/883545111.db2.gz WUYDWNHGWFXYAB-PGRDOPGGSA-N 0 0 400.482 4.057 20 30 HIEDRN C=CCN(C(=O)C[C@@H](C)c1c[nH]c2ccccc21)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469398138 883559710 /nfs/dbraw/zinc/55/97/10/883559710.db2.gz SJGKYLIRDJPFNS-QZTJIDSGSA-N 0 0 414.513 4.413 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469452021 883652896 /nfs/dbraw/zinc/65/28/96/883652896.db2.gz IMOYOSMAWAXOJH-STQMWFEESA-N 0 0 401.482 4.203 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469452020 883653346 /nfs/dbraw/zinc/65/33/46/883653346.db2.gz IMOYOSMAWAXOJH-QWHCGFSZSA-N 0 0 401.482 4.203 20 30 HIEDRN Cc1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc32)nn1-c1cccc(C#N)c1 ZINC000503635136 912736656 /nfs/dbraw/zinc/73/66/56/912736656.db2.gz DPYZHLFQVVOLQY-UHFFFAOYSA-N 0 0 411.343 4.465 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)nc1C(C)C ZINC000503638872 912743093 /nfs/dbraw/zinc/74/30/93/912743093.db2.gz XPNUVGXLHPPGIN-UHFFFAOYSA-N 0 0 423.498 4.061 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(-c4nnc5n4CCC5)c3)CC2)cc1 ZINC000503646437 912751289 /nfs/dbraw/zinc/75/12/89/912751289.db2.gz XTWNYAGWBISAOT-UHFFFAOYSA-N 0 0 410.481 4.084 20 30 HIEDRN N#CC1(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CCCCC1 ZINC000503647403 912753387 /nfs/dbraw/zinc/75/33/87/912753387.db2.gz GEUAZLXKNGPVCJ-UHFFFAOYSA-N 0 0 416.275 4.251 20 30 HIEDRN Cc1cccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1Br ZINC000469581996 883822339 /nfs/dbraw/zinc/82/23/39/883822339.db2.gz CTVVIYSXJUFCQW-UHFFFAOYSA-N 0 0 417.282 4.122 20 30 HIEDRN Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1Br ZINC000469651628 883848815 /nfs/dbraw/zinc/84/88/15/883848815.db2.gz MKIAOQRTMQIJSW-UHFFFAOYSA-N 0 0 417.282 4.122 20 30 HIEDRN CN1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000469725895 883887981 /nfs/dbraw/zinc/88/79/81/883887981.db2.gz RAIHYWNJMCWZDI-FYYLOGMGSA-N 0 0 422.479 4.398 20 30 HIEDRN COc1cc(Br)ccc1[C@@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000469751948 883913395 /nfs/dbraw/zinc/91/33/95/883913395.db2.gz KJEMNDJSOSXIEP-GFCCVEGCSA-N 0 0 413.275 4.230 20 30 HIEDRN COc1cc(Br)ccc1[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000469757127 883922537 /nfs/dbraw/zinc/92/25/37/883922537.db2.gz PJRZCCDRNSDOQI-NSHDSACASA-N 0 0 422.710 4.272 20 30 HIEDRN C=CCN(C(=O)[C@@H]1CCCc2sc(C)nc21)[C@H](Cc1ccccc1)C(=O)OCC ZINC000469809275 883983839 /nfs/dbraw/zinc/98/38/39/883983839.db2.gz MCSWEYMMOOBIJX-RTBURBONSA-N 0 0 412.555 4.060 20 30 HIEDRN CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000469859912 884045699 /nfs/dbraw/zinc/04/56/99/884045699.db2.gz QISZHEVQQUAJHS-OYDLWJJNSA-N 0 0 415.537 4.093 20 30 HIEDRN C=CCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000469875187 884065910 /nfs/dbraw/zinc/06/59/10/884065910.db2.gz KJJPPZGHJJNXQE-UHFFFAOYSA-N 0 0 412.433 4.154 20 30 HIEDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000469885686 884077626 /nfs/dbraw/zinc/07/76/26/884077626.db2.gz XMVLRWWTXHDWTH-CUWPLCDZSA-N 0 0 406.507 4.123 20 30 HIEDRN C=CCc1cc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc(OC)c1OC ZINC000503678768 912784643 /nfs/dbraw/zinc/78/46/43/912784643.db2.gz GWSCHEUSLJOETG-UHFFFAOYSA-N 0 0 423.494 4.393 20 30 HIEDRN Cc1ccc(C[C@H](CO)NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1 ZINC000469927173 884118933 /nfs/dbraw/zinc/11/89/33/884118933.db2.gz ITEZAWCOJODHLV-JOCHJYFZSA-N 0 0 416.546 4.492 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000469933572 884127462 /nfs/dbraw/zinc/12/74/62/884127462.db2.gz DVMHITNQZAGLPQ-UHFFFAOYSA-N 0 0 405.458 4.010 20 30 HIEDRN CC(C)(C)c1nnc2ccc(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)cn21 ZINC000469939643 884135483 /nfs/dbraw/zinc/13/54/83/884135483.db2.gz RVSUXCWGZKSKQH-UHFFFAOYSA-N 0 0 417.513 4.018 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(C)c1Br ZINC000469948127 884147544 /nfs/dbraw/zinc/14/75/44/884147544.db2.gz NNHLPBNRTAXTCB-UHFFFAOYSA-N 0 0 417.303 4.113 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C[C@@H]3CCc4ccccc4C3)ccc21 ZINC000469949086 884147715 /nfs/dbraw/zinc/14/77/15/884147715.db2.gz AKAPYUSVBKVZFK-GOSISDBHSA-N 0 0 401.510 4.403 20 30 HIEDRN COCc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469951048 884151122 /nfs/dbraw/zinc/15/11/22/884151122.db2.gz UJDJROQZIRPKHG-UHFFFAOYSA-N 0 0 417.465 4.414 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)ccc21 ZINC000469953094 884155285 /nfs/dbraw/zinc/15/52/85/884155285.db2.gz LQUQLPFKOFSSEE-IEBWSBKVSA-N 0 0 409.436 4.290 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)CCc3nc4ccccc4s3)ccc21 ZINC000469953943 884156112 /nfs/dbraw/zinc/15/61/12/884156112.db2.gz RIBUZUBIKNUUHE-UHFFFAOYSA-N 0 0 418.522 4.451 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cnc4ccc(F)cc4c3)ccc21 ZINC000469955406 884157455 /nfs/dbraw/zinc/15/74/55/884157455.db2.gz FHJGPLJRJUQWJE-UHFFFAOYSA-N 0 0 402.429 4.209 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21 ZINC000469954218 884157989 /nfs/dbraw/zinc/15/79/89/884157989.db2.gz UKRPPSDUHJEPJF-UHFFFAOYSA-N 0 0 418.409 4.176 20 30 HIEDRN COc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)ccc1OC(C)C ZINC000469954579 884158102 /nfs/dbraw/zinc/15/81/02/884158102.db2.gz WFBQFJHXJKPJER-UHFFFAOYSA-N 0 0 421.497 4.318 20 30 HIEDRN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000469957507 884162189 /nfs/dbraw/zinc/16/21/89/884162189.db2.gz VXLLOEIQMZWTIN-SFTDATJTSA-N 0 0 403.482 4.020 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1OC ZINC000469960438 884165747 /nfs/dbraw/zinc/16/57/47/884165747.db2.gz YZYUZGYOVIDWJS-UHFFFAOYSA-N 0 0 419.481 4.095 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccn(Cc4ccccc4)c3)ccc21 ZINC000469975973 884188393 /nfs/dbraw/zinc/18/83/93/884188393.db2.gz UXJMOKBPHFZPAZ-UHFFFAOYSA-N 0 0 412.493 4.372 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc21 ZINC000469976904 884190781 /nfs/dbraw/zinc/19/07/81/884190781.db2.gz YLYLVVUSTSRBQD-UHFFFAOYSA-N 0 0 415.415 4.470 20 30 HIEDRN N#Cc1cc(F)c(C(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)c(F)c1 ZINC000470025262 884245058 /nfs/dbraw/zinc/24/50/58/884245058.db2.gz UYVLPSDUXUKGDB-UHFFFAOYSA-N 0 0 409.417 4.265 20 30 HIEDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000470031436 884264057 /nfs/dbraw/zinc/26/40/57/884264057.db2.gz QYACWQKCQMHIAQ-YADHBBJMSA-N 0 0 409.555 4.319 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(C)c3Br)C2)n1 ZINC000470051063 884297013 /nfs/dbraw/zinc/29/70/13/884297013.db2.gz OMYJEFMNFCHZGC-MRXNPFEDSA-N 0 0 413.319 4.188 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1 ZINC000470125754 884386889 /nfs/dbraw/zinc/38/68/89/884386889.db2.gz WNYOXLBMWPNENE-UHFFFAOYSA-N 0 0 422.403 4.137 20 30 HIEDRN CCOC(=O)c1cc(F)c(F)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503770737 912819933 /nfs/dbraw/zinc/81/99/33/912819933.db2.gz NJPVPQCDRSXVIM-UHFFFAOYSA-N 0 0 411.408 4.334 20 30 HIEDRN COC(=O)[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)c1ccsc1 ZINC000470139126 884403811 /nfs/dbraw/zinc/40/38/11/884403811.db2.gz YANJMAGVRCJFBD-HXUWFJFHSA-N 0 0 406.463 4.251 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000470172818 884454118 /nfs/dbraw/zinc/45/41/18/884454118.db2.gz CTOHEQMOIOQBOJ-OAHLLOKOSA-N 0 0 408.260 4.367 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1-n1cccn1 ZINC000470176928 884459108 /nfs/dbraw/zinc/45/91/08/884459108.db2.gz ODNOKBSVKLIRSD-SFHVURJKSA-N 0 0 415.497 4.058 20 30 HIEDRN CCCCCn1cc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1 ZINC000503801976 912828545 /nfs/dbraw/zinc/82/85/45/912828545.db2.gz CZYGEHMRNBADFO-UHFFFAOYSA-N 0 0 409.534 4.006 20 30 HIEDRN CC(C)(C)C1CCC(C#N)(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000470188347 884483226 /nfs/dbraw/zinc/48/32/26/884483226.db2.gz OUFCBXDRWBNSIR-UHFFFAOYSA-N 0 0 412.534 4.426 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470191360 884491201 /nfs/dbraw/zinc/49/12/01/884491201.db2.gz VRRBSAZZRRXDLJ-QGZVFWFLSA-N 0 0 401.514 4.286 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)C2)n1 ZINC000470192334 884494235 /nfs/dbraw/zinc/49/42/35/884494235.db2.gz ASBFOHMGDCZPIS-HDJSMCDHSA-N 0 0 407.562 4.093 20 30 HIEDRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000470197330 884505954 /nfs/dbraw/zinc/50/59/54/884505954.db2.gz ZLGDXCHIKCHHNU-UHFFFAOYSA-N 0 0 422.577 4.053 20 30 HIEDRN Cc1cccc2c(CCC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c[nH]c21 ZINC000470204548 884520076 /nfs/dbraw/zinc/52/00/76/884520076.db2.gz ACBJJULJPXQWCG-UHFFFAOYSA-N 0 0 406.917 4.283 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cccn3Cc3cccs3)CC2)c(Cl)c1 ZINC000470206241 884522328 /nfs/dbraw/zinc/52/23/28/884522328.db2.gz PZGGTHBMXWVMLG-UHFFFAOYSA-N 0 0 410.930 4.085 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)c(Cl)c1 ZINC000470206972 884524865 /nfs/dbraw/zinc/52/48/65/884524865.db2.gz UJGIOTPLFVUBHM-UHFFFAOYSA-N 0 0 418.884 4.361 20 30 HIEDRN C=CCC[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccc1 ZINC000470229291 884554796 /nfs/dbraw/zinc/55/47/96/884554796.db2.gz XXOISJDWKKHZMV-RBBKRZOGSA-N 0 0 412.480 4.322 20 30 HIEDRN C=CC[C@H]1N(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCC1(C)C ZINC000470276453 884636052 /nfs/dbraw/zinc/63/60/52/884636052.db2.gz GKGSDJRBTVGUNC-GOSISDBHSA-N 0 0 424.632 4.059 20 30 HIEDRN C=CC[C@H]1N(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCCC1(C)C ZINC000470282929 884649903 /nfs/dbraw/zinc/64/99/03/884649903.db2.gz BNOXWPBGDMLIRP-HXUWFJFHSA-N 0 0 404.501 4.410 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000470312093 884687224 /nfs/dbraw/zinc/68/72/24/884687224.db2.gz CLNCISBWWABSAN-UHFFFAOYSA-N 0 0 420.479 4.459 20 30 HIEDRN COCCc1ccc(Oc2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2)cc1 ZINC000470361261 884754217 /nfs/dbraw/zinc/75/42/17/884754217.db2.gz JRHHSPIAGCRLCV-UHFFFAOYSA-N 0 0 405.458 4.422 20 30 HIEDRN CCOC(=O)c1csc(CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000470364287 884759386 /nfs/dbraw/zinc/75/93/86/884759386.db2.gz TVNKAINGHRAIFI-CYBMUJFWSA-N 0 0 418.544 4.078 20 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C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 ZINC000470528831 884926146 /nfs/dbraw/zinc/92/61/46/884926146.db2.gz BMRHHSDZNLEMPO-OAHLLOKOSA-N 0 0 406.490 4.081 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2ccc(NC(=O)C3CC3)cc2)ccc1Cl ZINC000470529998 884926892 /nfs/dbraw/zinc/92/68/92/884926892.db2.gz OWLAGNVIDDKOKY-UHFFFAOYSA-N 0 0 410.905 4.356 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1 ZINC000470534696 884934383 /nfs/dbraw/zinc/93/43/83/884934383.db2.gz SZFNPRAXQCMDJP-UHFFFAOYSA-N 0 0 405.439 4.023 20 30 HIEDRN CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470536377 884936763 /nfs/dbraw/zinc/93/67/63/884936763.db2.gz CBEJUWDPRZMFQC-UHFFFAOYSA-N 0 0 420.513 4.332 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(C#N)cc1 ZINC000470537931 884941248 /nfs/dbraw/zinc/94/12/48/884941248.db2.gz REQWSAPHCNCMCA-MRXNPFEDSA-N 0 0 401.470 4.024 20 30 HIEDRN COc1cccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470539279 884943102 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417.896 4.477 20 30 HIEDRN C=CCN(Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccc(Cl)s1 ZINC000470973970 885475397 /nfs/dbraw/zinc/47/53/97/885475397.db2.gz HXNWEQUTFWQAKN-UHFFFAOYSA-N 0 0 420.991 4.424 20 30 HIEDRN CC[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000470989021 885489561 /nfs/dbraw/zinc/48/95/61/885489561.db2.gz LNCPNZUPSCWILJ-JXFKEZNVSA-N 0 0 424.342 4.388 20 30 HIEDRN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471002736 885503252 /nfs/dbraw/zinc/50/32/52/885503252.db2.gz BABCPHKYCFGWHT-XMSQKQJNSA-N 0 0 410.949 4.166 20 30 HIEDRN N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000471004565 885505052 /nfs/dbraw/zinc/50/50/52/885505052.db2.gz CXBXAJBEOOQEDX-CQSZACIVSA-N 0 0 400.857 4.198 20 30 HIEDRN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471012838 885515013 /nfs/dbraw/zinc/51/50/13/885515013.db2.gz SODUPZLPPOXJRB-JXFKEZNVSA-N 0 0 407.905 4.333 20 30 HIEDRN COc1cc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1OC(F)F 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409.371 4.084 20 30 HIEDRN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471090809 885619207 /nfs/dbraw/zinc/61/92/07/885619207.db2.gz MVDLHKAAKDZHSZ-CMPLNLGQSA-N 0 0 422.291 4.309 20 30 HIEDRN N#Cc1c(NC(=O)c2c(F)cccc2I)sc2c1CCC2 ZINC000471100683 885632702 /nfs/dbraw/zinc/63/27/02/885632702.db2.gz DETYOYBMOLOFNV-UHFFFAOYSA-N 0 0 412.227 4.104 20 30 HIEDRN CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471107462 885642031 /nfs/dbraw/zinc/64/20/31/885642031.db2.gz HMVBDLCGGXLGAJ-OAHLLOKOSA-N 0 0 422.286 4.011 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCCCc3cc(Br)ccc32)cc1 ZINC000471107970 885642081 /nfs/dbraw/zinc/64/20/81/885642081.db2.gz URCLSMYFNPSNSI-SFHVURJKSA-N 0 0 408.299 4.373 20 30 HIEDRN CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471111596 885646506 /nfs/dbraw/zinc/64/65/06/885646506.db2.gz FEZBXBPKSSYGBX-HXUWFJFHSA-N 0 0 411.509 4.016 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)ccc1NC1CC1 ZINC000471140978 885685784 /nfs/dbraw/zinc/68/57/84/885685784.db2.gz VDYBFGHHORAXSL-GFCCVEGCSA-N 0 0 400.276 4.301 20 30 HIEDRN C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471146626 885692754 /nfs/dbraw/zinc/69/27/54/885692754.db2.gz DBHSCERNQAHSHL-UWJYYQICSA-N 0 0 421.932 4.257 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1 ZINC000471149853 885697251 /nfs/dbraw/zinc/69/72/51/885697251.db2.gz YTNZCSWKCAYXBW-CYBMUJFWSA-N 0 0 411.849 4.190 20 30 HIEDRN COc1ccccc1-c1nc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cs1 ZINC000471151259 885698697 /nfs/dbraw/zinc/69/86/97/885698697.db2.gz LSHGDQRQUXESRB-NRFANRHFSA-N 0 0 404.539 4.201 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)cc1 ZINC000471151993 885700669 /nfs/dbraw/zinc/70/06/69/885700669.db2.gz QBKWACDLQYTUQF-MRXNPFEDSA-N 0 0 404.376 4.345 20 30 HIEDRN CCN(C(=O)c1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)ccc1Cl)C(C)C ZINC000471154546 885704653 /nfs/dbraw/zinc/70/46/53/885704653.db2.gz SLLRZPWAYNDPET-GOSISDBHSA-N 0 0 422.916 4.403 20 30 HIEDRN CCS(=O)(=O)c1ccc(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)s1 ZINC000471168020 885724337 /nfs/dbraw/zinc/72/43/37/885724337.db2.gz GJXGPSZKVKPVTL-UHFFFAOYSA-N 0 0 424.547 4.263 20 30 HIEDRN N#Cc1cc(NC(=O)NCc2ccc3ncccc3c2)ccc1OCC(F)(F)F ZINC000471177272 885740839 /nfs/dbraw/zinc/74/08/39/885740839.db2.gz OZDUXIYVLGAGNU-UHFFFAOYSA-N 0 0 400.360 4.369 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000471185478 885754060 /nfs/dbraw/zinc/75/40/60/885754060.db2.gz HWBVYVNHLPKRQV-LBPRGKRZSA-N 0 0 420.296 4.038 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cn2)cc1 ZINC000471188636 885755591 /nfs/dbraw/zinc/75/55/91/885755591.db2.gz RFWVIXNKIXRUSN-UHFFFAOYSA-N 0 0 400.438 4.008 20 30 HIEDRN Cc1nc(-c2ccc(C)c(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)n[nH]1 ZINC000471191988 885759572 /nfs/dbraw/zinc/75/95/72/885759572.db2.gz RKWQNAMBUORZEB-UHFFFAOYSA-N 0 0 406.515 4.011 20 30 HIEDRN CCOc1ccccc1[C@@](N)(C(=O)Nc1cccc(OCCCC#N)c1)C(F)(F)F ZINC000471241609 885818259 /nfs/dbraw/zinc/81/82/59/885818259.db2.gz CQCJBZQJJKCXGJ-HXUWFJFHSA-N 0 0 421.419 4.123 20 30 HIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000471255613 885834106 /nfs/dbraw/zinc/83/41/06/885834106.db2.gz XUCFSSKTYGNUFY-QGZVFWFLSA-N 0 0 402.527 4.489 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H](C2CC2)O1 ZINC000471257774 885836508 /nfs/dbraw/zinc/83/65/08/885836508.db2.gz NLIDQFZPQHUWFO-HXOBKFHXSA-N 0 0 405.498 4.363 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cc2F)c1 ZINC000471271094 885848750 /nfs/dbraw/zinc/84/87/50/885848750.db2.gz AFYOACSIYPXYRE-FQEVSTJZSA-N 0 0 421.432 4.495 20 30 HIEDRN Cc1sc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1CS(C)(=O)=O ZINC000471271361 885850288 /nfs/dbraw/zinc/85/02/88/885850288.db2.gz AXDQJHMNOQYBEW-LBPRGKRZSA-N 0 0 408.570 4.105 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccccc3N3CCCCCC3)C2)n1 ZINC000471290455 885875650 /nfs/dbraw/zinc/87/56/50/885875650.db2.gz YXUBTONMHLIKDS-OAQYLSRUSA-N 0 0 417.557 4.497 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000471291682 885877224 /nfs/dbraw/zinc/87/72/24/885877224.db2.gz GZPXUWXMIPQLIU-NZQKXSOJSA-N 0 0 415.449 4.139 20 30 HIEDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000471292180 885877255 /nfs/dbraw/zinc/87/72/55/885877255.db2.gz LQNCXLOMMDZOCR-WCBMZHEXSA-N 0 0 403.298 4.165 20 30 HIEDRN C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1nc2ccccc2n1C(F)F ZINC000471296196 885883734 /nfs/dbraw/zinc/88/37/34/885883734.db2.gz FDGWHRFHTZZGEJ-GFCCVEGCSA-N 0 0 407.380 4.449 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3nc4cc(Cl)ccc4s3)C2)n1 ZINC000471299277 885886937 /nfs/dbraw/zinc/88/69/37/885886937.db2.gz BDMJMPFIKLDOAQ-AWEZNQCLSA-N 0 0 411.918 4.380 20 30 HIEDRN CCCN(C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)[C@@H]1CCc2ccccc21 ZINC000471301557 885890163 /nfs/dbraw/zinc/89/01/63/885890163.db2.gz XESUESSBAYTURW-JTHBVZDNSA-N 0 0 402.542 4.404 20 30 HIEDRN Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)nn1-c1cccc(C#N)c1 ZINC000504079771 912986512 /nfs/dbraw/zinc/98/65/12/912986512.db2.gz ZKZPMQCCRFOBCN-UHFFFAOYSA-N 0 0 411.440 4.434 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000504081468 912987776 /nfs/dbraw/zinc/98/77/76/912987776.db2.gz ZWOQBNBFXFMBNR-UHFFFAOYSA-N 0 0 409.411 4.427 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)C2)n1 ZINC000471336948 885940339 /nfs/dbraw/zinc/94/03/39/885940339.db2.gz QLYYZBMXGCFABD-NZQKXSOJSA-N 0 0 400.526 4.157 20 30 HIEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471354616 885972810 /nfs/dbraw/zinc/97/28/10/885972810.db2.gz JRZMUUIZHFSENV-QUCCMNQESA-N 0 0 406.530 4.209 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1c(F)cccc1I ZINC000471360717 885987360 /nfs/dbraw/zinc/98/73/60/885987360.db2.gz SIAVJUFODUMXMV-UHFFFAOYSA-N 0 0 424.213 4.341 20 30 HIEDRN C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(OCC(F)(F)F)cc1 ZINC000504087553 912996446 /nfs/dbraw/zinc/99/64/46/912996446.db2.gz GSGGXJVLFJLWID-DJJJIMSYSA-N 0 0 414.424 4.067 20 30 HIEDRN Cc1cc(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)nn1CCC#N ZINC000504090344 913000712 /nfs/dbraw/zinc/00/07/12/913000712.db2.gz YZGMGHSCQPTTRK-UHFFFAOYSA-N 0 0 401.186 4.139 20 30 HIEDRN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000471407765 886060662 /nfs/dbraw/zinc/06/06/62/886060662.db2.gz UUUSQGHATBTCHB-RBUKOAKNSA-N 0 0 423.488 4.351 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@H]3C)C2)n1 ZINC000471425969 886083037 /nfs/dbraw/zinc/08/30/37/886083037.db2.gz CEJRPYNNVVAURS-VKGYTVAMSA-N 0 0 402.542 4.271 20 30 HIEDRN Cc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(Br)s1 ZINC000471477627 886171070 /nfs/dbraw/zinc/17/10/70/886171070.db2.gz WZJWNOFEPNAPSS-UHFFFAOYSA-N 0 0 418.360 4.039 20 30 HIEDRN C[C@H](NS(=O)(=O)c1cc(Cl)c(Br)cc1F)c1ccc(C#N)cc1 ZINC000471490221 886189045 /nfs/dbraw/zinc/18/90/45/886189045.db2.gz ZFHINLAIZSVAPC-VIFPVBQESA-N 0 0 417.687 4.153 20 30 HIEDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000504111594 913020120 /nfs/dbraw/zinc/02/01/20/913020120.db2.gz QQNQYOWAANSBDS-UHFFFAOYSA-N 0 0 421.413 4.067 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000471502981 886204111 /nfs/dbraw/zinc/20/41/11/886204111.db2.gz DITNZRMGEXNKCH-CTNGQTDRSA-N 0 0 407.489 4.305 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](CCSC)c1nnc2ccccn21 ZINC000471510940 886212525 /nfs/dbraw/zinc/21/25/25/886212525.db2.gz DHCRJVWHGSPMOY-IBGZPJMESA-N 0 0 409.559 4.311 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](CCSC)c1nnc2ccccn21 ZINC000471510942 886212699 /nfs/dbraw/zinc/21/26/99/886212699.db2.gz DHCRJVWHGSPMOY-LJQANCHMSA-N 0 0 409.559 4.311 20 30 HIEDRN Cc1cc(NC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)nn1CCC#N ZINC000504121592 913027292 /nfs/dbraw/zinc/02/72/92/913027292.db2.gz URSZJOCNKGOVRU-UHFFFAOYSA-N 0 0 404.430 4.277 20 30 HIEDRN COC[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000471611122 886326106 /nfs/dbraw/zinc/32/61/06/886326106.db2.gz OTBBXYKCNAYANF-QHCPKHFHSA-N 0 0 400.478 4.125 20 30 HIEDRN CN(C(=O)c1cccc(NCc2nnc(-c3cccc(C#N)c3)o2)c1)c1ccccc1 ZINC000471621236 886339766 /nfs/dbraw/zinc/33/97/66/886339766.db2.gz MYDPHBXGQURCNA-UHFFFAOYSA-N 0 0 409.449 4.497 20 30 HIEDRN CC(=O)Nc1ccc(NCc2nnc(-c3ccc(C#N)cc3)o2)c(C(F)(F)F)c1 ZINC000471639608 886356384 /nfs/dbraw/zinc/35/63/84/886356384.db2.gz ZNBZFAICKGYOMJ-UHFFFAOYSA-N 0 0 401.348 4.198 20 30 HIEDRN Cn1cc(C#N)cc1C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000471662347 886374510 /nfs/dbraw/zinc/37/45/10/886374510.db2.gz KYRWSPOGOARLQZ-UHFFFAOYSA-N 0 0 424.957 4.237 20 30 HIEDRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000471683808 886391785 /nfs/dbraw/zinc/39/17/85/886391785.db2.gz XVMRNTUATSLIAV-FQEVSTJZSA-N 0 0 408.889 4.015 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC(CCc4ccccc4)CC3)C2)n1 ZINC000471689249 886397887 /nfs/dbraw/zinc/39/78/87/886397887.db2.gz RPXHGPROIFEFKO-DEOSSOPVSA-N 0 0 416.569 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C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000475402429 890331005 /nfs/dbraw/zinc/33/10/05/890331005.db2.gz SXLBAGVHGOJNRE-UHFFFAOYSA-N 0 0 416.525 4.022 20 30 HIEDRN C[C@H]1CN(c2ccc(NCc3cccn3Cc3ccccc3C#N)cn2)C[C@H](C)O1 ZINC000475436217 890356490 /nfs/dbraw/zinc/35/64/90/890356490.db2.gz ZCWKTBVQEQLNMG-OALUTQOASA-N 0 0 401.514 4.029 20 30 HIEDRN N#CC[C@@H](CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1)c1ccccc1 ZINC000475448219 890363949 /nfs/dbraw/zinc/36/39/49/890363949.db2.gz WBBAURPWAFKEMR-KRWDZBQOSA-N 0 0 424.302 4.115 20 30 HIEDRN COc1cc(Br)ccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000504711451 913445587 /nfs/dbraw/zinc/44/55/87/913445587.db2.gz ITXSTCYPGMWLMT-UHFFFAOYSA-N 0 0 415.287 4.013 20 30 HIEDRN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1)c1ccccc1 ZINC000475475411 890383894 /nfs/dbraw/zinc/38/38/94/890383894.db2.gz YOWNXFOWQNJHHV-HSZRJFAPSA-N 0 0 417.553 4.402 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000475491594 890398737 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HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000475554260 890480196 /nfs/dbraw/zinc/48/01/96/890480196.db2.gz HUPFAPLLNWTAFY-UHFFFAOYSA-N 0 0 407.514 4.234 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC ZINC000475555354 890482399 /nfs/dbraw/zinc/48/23/99/890482399.db2.gz WJTWKJWQUBOARA-FQEVSTJZSA-N 0 0 414.477 4.420 20 30 HIEDRN CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1OCC ZINC000475560656 890488071 /nfs/dbraw/zinc/48/80/71/890488071.db2.gz OFNQCYBNOJCTHK-ZDUSSCGKSA-N 0 0 408.907 4.049 20 30 HIEDRN C/C=C/c1ccc(OCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000504722988 913457646 /nfs/dbraw/zinc/45/76/46/913457646.db2.gz XZLKJHWSJZMQOM-ONEGZZNKSA-N 0 0 406.482 4.049 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000475566783 890497705 /nfs/dbraw/zinc/49/77/05/890497705.db2.gz ATJRKPYPDFCUSV-GOSISDBHSA-N 0 0 408.546 4.480 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000475571372 890501025 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Cc1nc2ccc(C(=O)N[C@H](C#N)c3ccc(OCc4ccccc4)cc3)cc2n1C ZINC000475606667 890534367 /nfs/dbraw/zinc/53/43/67/890534367.db2.gz SYXFWKKCLIWXSK-HSZRJFAPSA-N 0 0 410.477 4.455 20 30 HIEDRN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000475607551 890534468 /nfs/dbraw/zinc/53/44/68/890534468.db2.gz WIUNZDIXHCYKEO-HXUWFJFHSA-N 0 0 407.539 4.258 20 30 HIEDRN Cc1cccc(NC(=O)C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1C#N ZINC000475620440 890555423 /nfs/dbraw/zinc/55/54/23/890555423.db2.gz DZWSMQJCZJNLOL-UHFFFAOYSA-N 0 0 415.415 4.230 20 30 HIEDRN N#Cc1ccc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c(F)c1 ZINC000475645343 890588597 /nfs/dbraw/zinc/58/85/97/890588597.db2.gz ZTXYNRJLIAWYMX-INIZCTEOSA-N 0 0 417.200 4.302 20 30 HIEDRN CC(C)c1noc(-c2ccccc2C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000504732849 913470720 /nfs/dbraw/zinc/47/07/20/913470720.db2.gz SKNVZRLROALRMN-UHFFFAOYSA-N 0 0 416.481 4.415 20 30 HIEDRN C=C(C)[C@@H](NC(=O)CCn1cnc2sc(C)c(C)c2c1=O)c1ccc(F)c(F)c1 ZINC000475675980 890618908 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OXQWPDIZIGOHHW-UHFFFAOYSA-N 0 0 408.433 4.179 20 30 HIEDRN N#Cc1ccc(OCC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000475861933 890798893 /nfs/dbraw/zinc/79/88/93/890798893.db2.gz FZUVKDWUHLIBHK-UHFFFAOYSA-N 0 0 418.415 4.273 20 30 HIEDRN Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000504750552 913489587 /nfs/dbraw/zinc/48/95/87/913489587.db2.gz NGTYXYRWSCLPHZ-UHFFFAOYSA-N 0 0 420.900 4.389 20 30 HIEDRN COCCSc1ccc([C@@H](C)NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000504751612 913489934 /nfs/dbraw/zinc/48/99/34/913489934.db2.gz WBVDTXAPKCYVNV-MRXNPFEDSA-N 0 0 400.569 4.407 20 30 HIEDRN COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000475878837 890813284 /nfs/dbraw/zinc/81/32/84/890813284.db2.gz YBQQTJQMBQKYMN-UHFFFAOYSA-N 0 0 416.758 4.073 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000475906296 890836035 /nfs/dbraw/zinc/83/60/35/890836035.db2.gz PFZSNUJVAFDPMC-QFIPXVFZSA-N 0 0 419.912 4.019 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CS(=O)(=O)c2ccccc2Cl)ccc1Cl 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20 30 HIEDRN COC(=O)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)Cc1cccc2ccccc21 ZINC000476043772 890974219 /nfs/dbraw/zinc/97/42/19/890974219.db2.gz UOANRVHBOTUBEE-OAQYLSRUSA-N 0 0 414.505 4.403 20 30 HIEDRN CCN(Cc1cc(C)c(OCc2ccccc2C)c(C)c1)C(=O)c1cnn(C)c1C#N ZINC000476045843 890976215 /nfs/dbraw/zinc/97/62/15/890976215.db2.gz QTRDODUYDZDQCF-UHFFFAOYSA-N 0 0 416.525 4.458 20 30 HIEDRN CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)ccc2o1 ZINC000476057833 890987247 /nfs/dbraw/zinc/98/72/47/890987247.db2.gz BZEAJRJAESLSTN-LJQANCHMSA-N 0 0 416.481 4.127 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000476092106 891014194 /nfs/dbraw/zinc/01/41/94/891014194.db2.gz VETJZHAJVHLCER-HXUWFJFHSA-N 0 0 409.392 4.257 20 30 HIEDRN N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@H](CCO)c2ccccc2)cc1 ZINC000476094699 891015842 /nfs/dbraw/zinc/01/58/42/891015842.db2.gz HYCCDJKLBQQAJC-LJQANCHMSA-N 0 0 404.441 4.386 20 30 HIEDRN Cc1c(NC(=O)C[C@H](CC#N)c2ccccc2)cccc1S(=O)(=O)NC(C)(C)C ZINC000476095462 891017027 /nfs/dbraw/zinc/01/70/27/891017027.db2.gz MHXMCTSIMSKQMA-SFHVURJKSA-N 0 0 413.543 4.098 20 30 HIEDRN Cc1c(NC(=O)c2ccc(C(C)(C)C#N)cc2)cccc1S(=O)(=O)NC(C)(C)C ZINC000476095308 891017903 /nfs/dbraw/zinc/01/79/03/891017903.db2.gz LPXWWYJPNIBXNM-UHFFFAOYSA-N 0 0 413.543 4.125 20 30 HIEDRN CCc1nc2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2o1 ZINC000476132242 891054729 /nfs/dbraw/zinc/05/47/29/891054729.db2.gz DCIRNHGNSHNRDF-UHFFFAOYSA-N 0 0 408.433 4.476 20 30 HIEDRN CSc1ccc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000504797341 913519932 /nfs/dbraw/zinc/51/99/32/913519932.db2.gz PXDQYNWGEDYFBW-UHFFFAOYSA-N 0 0 411.914 4.188 20 30 HIEDRN N#CC[C@H](CC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000476202378 891132112 /nfs/dbraw/zinc/13/21/12/891132112.db2.gz ZAIKKSRHMYATTC-MRXNPFEDSA-N 0 0 406.877 4.219 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000476203732 891135568 /nfs/dbraw/zinc/13/55/68/891135568.db2.gz FZWVMPKFESCVII-UHFFFAOYSA-N 0 0 421.541 4.475 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ZINC000476270714 891192595 /nfs/dbraw/zinc/19/25/95/891192595.db2.gz HCPFGGSQUKIDMF-FQEVSTJZSA-N 0 0 413.315 4.162 20 30 HIEDRN Cc1ccc(I)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000476300815 891214216 /nfs/dbraw/zinc/21/42/16/891214216.db2.gz BUFUTWUPCTTWLP-UHFFFAOYSA-N 0 0 402.235 4.407 20 30 HIEDRN N#Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)ccn1 ZINC000476315665 891224626 /nfs/dbraw/zinc/22/46/26/891224626.db2.gz RJZGQQSZTAETNB-IBGZPJMESA-N 0 0 410.246 4.374 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000476325531 891231852 /nfs/dbraw/zinc/23/18/52/891231852.db2.gz YWYPXNZAHBDGCA-NRFANRHFSA-N 0 0 406.530 4.166 20 30 HIEDRN COC(=O)COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c2ccccc12 ZINC000476325144 891231908 /nfs/dbraw/zinc/23/19/08/891231908.db2.gz YKMOOFDJACBREZ-SFHVURJKSA-N 0 0 402.450 4.418 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000476329971 891234907 /nfs/dbraw/zinc/23/49/07/891234907.db2.gz CREXRWPDUFLABQ-UHFFFAOYSA-N 0 0 403.482 4.044 20 30 HIEDRN N#CC[C@@H](CC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)c1ccccc1 ZINC000476341798 891245432 /nfs/dbraw/zinc/24/54/32/891245432.db2.gz MCHAVQJSYRVTIQ-KRWDZBQOSA-N 0 0 423.563 4.335 20 30 HIEDRN N#CCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000476425556 891337676 /nfs/dbraw/zinc/33/76/76/891337676.db2.gz SDVHUPOUNQFQQG-OAQYLSRUSA-N 0 0 404.491 4.241 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N(C)C(C)C ZINC000476506082 891419301 /nfs/dbraw/zinc/41/93/01/891419301.db2.gz GLEPEVSBBWPUGF-AWEZNQCLSA-N 0 0 408.955 4.044 20 30 HIEDRN Cc1ccc(I)c(OCc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000476542395 891456998 /nfs/dbraw/zinc/45/69/98/891456998.db2.gz JXGKZBJWAPCJMN-UHFFFAOYSA-N 0 0 417.206 4.100 20 30 HIEDRN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000476553481 891469947 /nfs/dbraw/zinc/46/99/47/891469947.db2.gz ZUJKSERAJIIPHB-SFHVURJKSA-N 0 0 416.308 4.330 20 30 HIEDRN N#CC[C@H](CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1)c1ccccc1 ZINC000476558065 891475183 /nfs/dbraw/zinc/47/51/83/891475183.db2.gz FEHNFYWFHISRRE-SJLPKXTDSA-N 0 0 403.404 4.168 20 30 HIEDRN N#Cc1ccc(NC(=O)CN(C#N)c2ccc(F)c(Br)c2)cc1Cl ZINC000476563387 891481316 /nfs/dbraw/zinc/48/13/16/891481316.db2.gz QWARMDBSRHTHSN-UHFFFAOYSA-N 0 0 407.630 4.039 20 30 HIEDRN CC(C)(C)N1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476611865 891546527 /nfs/dbraw/zinc/54/65/27/891546527.db2.gz PARJMDLLFHTZLQ-OALUTQOASA-N 0 0 400.885 4.090 20 30 HIEDRN N#CC[C@H](CC(=O)N[C@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000476660794 891606347 /nfs/dbraw/zinc/60/63/47/891606347.db2.gz CVIGBSOFTTTYJI-VQIMIIECSA-N 0 0 401.304 4.076 20 30 HIEDRN N#CC[C@@H](CC(=O)N[C@H](CCO)c1ccccc1Br)c1ccccc1 ZINC000476660792 891607207 /nfs/dbraw/zinc/60/72/07/891607207.db2.gz CVIGBSOFTTTYJI-QFBILLFUSA-N 0 0 401.304 4.076 20 30 HIEDRN Cc1nc(C(=O)N(C)Cc2ccc(C#N)cc2)nn1-c1c(Cl)cccc1Cl ZINC000476687397 891640149 /nfs/dbraw/zinc/64/01/49/891640149.db2.gz ARCWOSLIEILXBX-UHFFFAOYSA-N 0 0 400.269 4.026 20 30 HIEDRN CSc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1Cl ZINC000476740575 891707929 /nfs/dbraw/zinc/70/79/29/891707929.db2.gz CDFSCGFTKYCJHT-FUHWJXTLSA-N 0 0 413.930 4.299 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000476742407 891709749 /nfs/dbraw/zinc/70/97/49/891709749.db2.gz FOTDQGITQAJWNE-HSZRJFAPSA-N 0 0 407.539 4.023 20 30 HIEDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c(C)n1 ZINC000504859913 913589870 /nfs/dbraw/zinc/58/98/70/913589870.db2.gz WIGRPJZECXRABS-KRWDZBQOSA-N 0 0 400.276 4.010 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000476788977 891770754 /nfs/dbraw/zinc/77/07/54/891770754.db2.gz JKRXQGVVXPZTEP-UHFFFAOYSA-N 0 0 407.352 4.027 20 30 HIEDRN COCC1(C#N)CCN(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)CC1 ZINC000476790288 891772670 /nfs/dbraw/zinc/77/26/70/891772670.db2.gz LVYZXNMRNBLAGZ-JOCHJYFZSA-N 0 0 403.482 4.484 20 30 HIEDRN C=CCc1cc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)cc(OC)c1OC ZINC000504866548 913594055 /nfs/dbraw/zinc/59/40/55/913594055.db2.gz AQARGVXQKOODRV-UHFFFAOYSA-N 0 0 417.469 4.347 20 30 HIEDRN CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000476820831 891805068 /nfs/dbraw/zinc/80/50/68/891805068.db2.gz PSCWONGRWCSDIV-JBYOLUDKSA-N 0 0 403.309 4.497 20 30 HIEDRN N#Cc1ccc(C[S@@](=O)Cc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC000476875842 891836098 /nfs/dbraw/zinc/83/60/98/891836098.db2.gz FKPUEQQZLKIQAP-XMMPIXPASA-N 0 0 401.285 4.425 20 30 HIEDRN COc1cc(C[S@@](=O)Cc2ccc(C#N)cc2)ccc1OCc1cccc(C#N)c1 ZINC000476885614 891843682 /nfs/dbraw/zinc/84/36/82/891843682.db2.gz PUOGGXILXHJXPO-PMERELPUSA-N 0 0 416.502 4.466 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000476905628 891859747 /nfs/dbraw/zinc/85/97/47/891859747.db2.gz KHEXTPKKAJDNRJ-SFHVURJKSA-N 0 0 400.276 4.235 20 30 HIEDRN C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(F)c(F)c1 ZINC000476919720 891869433 /nfs/dbraw/zinc/86/94/33/891869433.db2.gz UCXWSTOXGQLNQA-IIBYNOLFSA-N 0 0 401.457 4.169 20 30 HIEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(CNc3ccccc3)cc2)c1 ZINC000476924245 891871419 /nfs/dbraw/zinc/87/14/19/891871419.db2.gz OWDYQPLZPZFERY-XMMPIXPASA-N 0 0 424.504 4.300 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1c(SC)cnn1-c1ccccc1 ZINC000476934644 891877777 /nfs/dbraw/zinc/87/77/77/891877777.db2.gz RLODCJVTZZHYDI-UHFFFAOYSA-N 0 0 412.559 4.128 20 30 HIEDRN N#Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cnc1C(F)(F)F ZINC000476934290 891877790 /nfs/dbraw/zinc/87/77/90/891877790.db2.gz PSLMVDZXXIKGCV-OAHLLOKOSA-N 0 0 400.360 4.481 20 30 HIEDRN CN1C(=O)CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H]1c1ccccc1 ZINC000476942250 891882340 /nfs/dbraw/zinc/88/23/40/891882340.db2.gz RVXBQGKWLUWHFP-DEOSSOPVSA-N 0 0 411.461 4.158 20 30 HIEDRN CO[C@@H](C)c1noc(CSCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000476942721 891883397 /nfs/dbraw/zinc/88/33/97/891883397.db2.gz SPPXWPDOEULVSM-OLZOCXBDSA-N 0 0 406.533 4.043 20 30 HIEDRN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nc2c(s1)CCCC2 ZINC000476993339 891920049 /nfs/dbraw/zinc/92/00/49/891920049.db2.gz HVBARKPIVQOHOV-UHFFFAOYSA-N 0 0 414.600 4.294 20 30 HIEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(Br)ccc2Br)C1 ZINC000477023913 891951191 /nfs/dbraw/zinc/95/11/91/891951191.db2.gz ILBIBNACEXEXAB-MEBBXXQBSA-N 0 0 400.114 4.414 20 30 HIEDRN CCOC(=O)c1cccc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000477036622 891961968 /nfs/dbraw/zinc/96/19/68/891961968.db2.gz HWSXFHZETAKJFT-OAHLLOKOSA-N 0 0 400.475 4.430 20 30 HIEDRN CCOC(=O)c1cccc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000477039860 891963824 /nfs/dbraw/zinc/96/38/24/891963824.db2.gz ODSUDLTXLJMJFO-LBPRGKRZSA-N 0 0 400.525 4.404 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@]2(CCCOC2)C1 ZINC000477049083 891978328 /nfs/dbraw/zinc/97/83/28/891978328.db2.gz JBSVUISTYKEWLC-AOMKIAJQSA-N 0 0 401.576 4.108 20 30 HIEDRN Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)c(OCc2ccccc2)c1 ZINC000477067896 892001500 /nfs/dbraw/zinc/00/15/00/892001500.db2.gz OEZAWSFKRNIVEH-JOCHJYFZSA-N 0 0 411.461 4.190 20 30 HIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(N[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)c2)C1 ZINC000477121682 892051724 /nfs/dbraw/zinc/05/17/24/892051724.db2.gz GNJHNRWGPKONLA-NLSFWIRASA-N 0 0 417.509 4.398 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000477138479 892064624 /nfs/dbraw/zinc/06/46/24/892064624.db2.gz XJCNMQABCHFJMV-IBGZPJMESA-N 0 0 407.367 4.239 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cc3sc(N4CCCC4)nc3s2)CCC[C@]12CCCCO2 ZINC000477137361 892065479 /nfs/dbraw/zinc/06/54/79/892065479.db2.gz FIAMSRNCUKXPSG-OXJNMPFZSA-N 0 0 416.572 4.025 20 30 HIEDRN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c(F)c(F)cc(F)c1F ZINC000477236874 892179809 /nfs/dbraw/zinc/17/98/09/892179809.db2.gz SQDCDPCCBJGDMP-SECBINFHSA-N 0 0 406.301 4.271 20 30 HIEDRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1c(F)cccc1Cl ZINC000477239598 892182872 /nfs/dbraw/zinc/18/28/72/892182872.db2.gz MCSGUHJBEHIWHO-CYBMUJFWSA-N 0 0 408.882 4.048 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000477254940 892206756 /nfs/dbraw/zinc/20/67/56/892206756.db2.gz ZHSAFIYNAGKERT-UHFFFAOYSA-N 0 0 401.306 4.428 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000477270586 892223017 /nfs/dbraw/zinc/22/30/17/892223017.db2.gz FFUKXMQJWDKLCB-INIZCTEOSA-N 0 0 417.431 4.130 20 30 HIEDRN Cc1ccc(-c2nc(CC(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cs2)o1 ZINC000477284845 892240928 /nfs/dbraw/zinc/24/09/28/892240928.db2.gz WQUMZJNGPPUHEY-UHFFFAOYSA-N 0 0 404.413 4.441 20 30 HIEDRN O=C(Cc1ccc(OC(F)(F)F)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477285418 892243125 /nfs/dbraw/zinc/24/31/25/892243125.db2.gz YTPUDKYZNFLQCD-UHFFFAOYSA-N 0 0 401.306 4.314 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)c3c(F)cccc3Cl)C2)n1 ZINC000477306022 892269296 /nfs/dbraw/zinc/26/92/96/892269296.db2.gz VAHXCVRCKDEAGF-GOEBONIOSA-N 0 0 400.885 4.148 20 30 HIEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000477319088 892283189 /nfs/dbraw/zinc/28/31/89/892283189.db2.gz BFLQTROMPBNPPS-UHFFFAOYSA-N 0 0 408.424 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C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2nccs2)c1)c1ccc(F)c(F)c1 ZINC000477641411 892764611 /nfs/dbraw/zinc/76/46/11/892764611.db2.gz MRBDTKZRFQNRFF-SFHVURJKSA-N 0 0 413.449 4.460 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cnn(CC(C)C)c1C(C)C)c1ccc(F)c(F)c1 ZINC000477657086 892788826 /nfs/dbraw/zinc/78/88/26/892788826.db2.gz AKGQRFYKBCGSSD-IBGZPJMESA-N 0 0 418.488 4.313 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1 ZINC000477661570 892800569 /nfs/dbraw/zinc/80/05/69/892800569.db2.gz LANSMMIMGVXXOR-MRXNPFEDSA-N 0 0 414.330 4.236 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1)c1ccc(F)c(F)c1 ZINC000477669446 892803522 /nfs/dbraw/zinc/80/35/22/892803522.db2.gz QHINQISOODSRSK-FQEVSTJZSA-N 0 0 412.440 4.268 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000477673614 892804604 /nfs/dbraw/zinc/80/46/04/892804604.db2.gz RDVDXWBVIZFAJE-INIZCTEOSA-N 0 0 416.321 4.495 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1)c1ccc(F)c(F)c1 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CC[C@@H]1C[C@]1(NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)c1cccc(C)c1 ZINC000481045879 896370726 /nfs/dbraw/zinc/37/07/26/896370726.db2.gz ZALVBEPJXJSORU-GSHUGGBRSA-N 0 0 411.527 4.128 20 30 HIEDRN N#Cc1ccc(CS(=O)(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c(F)c1 ZINC000481050481 896375591 /nfs/dbraw/zinc/37/55/91/896375591.db2.gz ODBCDCYRCVRRQD-HSZRJFAPSA-N 0 0 406.482 4.175 20 30 HIEDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481053499 896376866 /nfs/dbraw/zinc/37/68/66/896376866.db2.gz RIWMNZOINPLFMK-NSHDSACASA-N 0 0 401.290 4.055 20 30 HIEDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481066510 896387050 /nfs/dbraw/zinc/38/70/50/896387050.db2.gz BUTNDKIHCSDEIS-GFCCVEGCSA-N 0 0 400.397 4.239 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)cc1 ZINC000481066980 896387969 /nfs/dbraw/zinc/38/79/69/896387969.db2.gz AJEBNMIMIKUHAT-ZOCZFRKYSA-N 0 0 411.527 4.208 20 30 HIEDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481066512 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Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487875158 902419747 /nfs/dbraw/zinc/41/97/47/902419747.db2.gz GTLDVFFRLKBACE-UHFFFAOYSA-N 0 0 412.291 4.191 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000487887402 902429815 /nfs/dbraw/zinc/42/98/15/902429815.db2.gz XODSQKDLHBPCAY-RTBURBONSA-N 0 0 403.320 4.489 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1Br ZINC000487894085 902434173 /nfs/dbraw/zinc/43/41/73/902434173.db2.gz HPXRFQXBLZFAMX-CRAIPNDOSA-N 0 0 400.276 4.220 20 30 HIEDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505960249 914618224 /nfs/dbraw/zinc/61/82/24/914618224.db2.gz NOSHMHSONHCNAM-BDJLRTHQSA-N 0 0 409.389 4.475 20 30 HIEDRN COc1ccc(Br)c(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000505961021 914618309 /nfs/dbraw/zinc/61/83/09/914618309.db2.gz SIVIBRKDEDUWNH-UHFFFAOYSA-N 0 0 418.291 4.438 20 30 HIEDRN Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cs1 ZINC000505965589 914625721 /nfs/dbraw/zinc/62/57/21/914625721.db2.gz JTXZJRSBSRGSBH-KRWDZBQOSA-N 0 0 418.444 4.493 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1Br ZINC000487930460 902461673 /nfs/dbraw/zinc/46/16/73/902461673.db2.gz CIFOMDMXTOBHCA-OAHLLOKOSA-N 0 0 413.319 4.359 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1-n1cccn1 ZINC000487970847 902495865 /nfs/dbraw/zinc/49/58/65/902495865.db2.gz TYAUZEVNZVCYEN-ZDUSSCGKSA-N 0 0 410.275 4.389 20 30 HIEDRN CC(C)(CO)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccccc1 ZINC000487981895 902504303 /nfs/dbraw/zinc/50/43/03/902504303.db2.gz CUXGVQOXDSVOOM-KRWDZBQOSA-N 0 0 416.319 4.245 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1OCc1csc(Br)c1 ZINC000505969768 914630707 /nfs/dbraw/zinc/63/07/07/914630707.db2.gz CZIYWIKARRWJCP-OAHLLOKOSA-N 0 0 405.317 4.430 20 30 HIEDRN COc1cc(F)c([C@@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1OC ZINC000487996932 902519483 /nfs/dbraw/zinc/51/94/83/902519483.db2.gz UVNKDKGRAQLANG-SNVBAGLBSA-N 0 0 422.254 4.360 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1Br ZINC000488004552 902525617 /nfs/dbraw/zinc/52/56/17/902525617.db2.gz GJOVUFPLXBOJBN-FQEVSTJZSA-N 0 0 412.287 4.027 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(C#N)c(C)c1C ZINC000505970179 914633028 /nfs/dbraw/zinc/63/30/28/914633028.db2.gz GJYAGRAUNOWWCH-QGZVFWFLSA-N 0 0 418.444 4.371 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000488011206 902530801 /nfs/dbraw/zinc/53/08/01/902530801.db2.gz YBESGQMCESLDQX-UHFFFAOYSA-N 0 0 410.861 4.161 20 30 HIEDRN Cc1cc(F)ccc1CN(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488055433 902569566 /nfs/dbraw/zinc/56/95/66/902569566.db2.gz IWOAHWQMIAVOIP-UHFFFAOYSA-N 0 0 417.440 4.395 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCCC)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000488068539 902580696 /nfs/dbraw/zinc/58/06/96/902580696.db2.gz VRJPOTBCLLSKIQ-YLJYHZDGSA-N 0 0 414.550 4.140 20 30 HIEDRN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000488081191 902587080 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/nfs/dbraw/zinc/66/26/66/902662666.db2.gz WPWUEQNSRONLNL-OAHLLOKOSA-N 0 0 410.861 4.289 20 30 HIEDRN C[C@@H]1CN(c2ccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)cn2)C[C@H](C)O1 ZINC000488177230 902666061 /nfs/dbraw/zinc/66/60/61/902666061.db2.gz LEXMYWZUPOSIAI-OKILXGFUSA-N 0 0 409.440 4.005 20 30 HIEDRN N#C[C@H](NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)c1cccc(C(F)(F)F)c1 ZINC000505983105 914648288 /nfs/dbraw/zinc/64/82/88/914648288.db2.gz YPHSCCWCNRRXAP-KRWDZBQOSA-N 0 0 413.355 4.290 20 30 HIEDRN Cc1ccc(NC(=O)C2(CNC(=O)CCc3ccc(C#N)cc3)CCCC2)cc1C ZINC000488230696 902708197 /nfs/dbraw/zinc/70/81/97/902708197.db2.gz IZSJUCIYXHSLPU-UHFFFAOYSA-N 0 0 403.526 4.423 20 30 HIEDRN Cc1cccc([C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)N2CCOCC2)c1 ZINC000488241849 902716613 /nfs/dbraw/zinc/71/66/13/902716613.db2.gz MHPYOMWRRHKHAI-NRFANRHFSA-N 0 0 408.452 4.179 20 30 HIEDRN C=CCn1c(SCc2nnc(C)[nH]2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000488261491 902733206 /nfs/dbraw/zinc/73/32/06/902733206.db2.gz DQMHYMGEFUWJTJ-UHFFFAOYSA-N 0 0 409.540 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C=CCN(CC=C)C(=O)Nc1cc(Br)ccc1I ZINC000516756776 923877925 /nfs/dbraw/zinc/87/79/25/923877925.db2.gz AEMNJKIQVGNCAD-UHFFFAOYSA-N 0 0 421.076 4.260 20 30 HIEDRN C=CCn1c(-c2cn(C)c3ccccc23)nnc1N(CCOC)Cc1scnc1C ZINC000516895075 923931690 /nfs/dbraw/zinc/93/16/90/923931690.db2.gz GGDAHTCNBCMZQV-UHFFFAOYSA-N 0 0 422.558 4.041 20 30 HIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2sccc2[C@@H]1CC ZINC000516895459 923931917 /nfs/dbraw/zinc/93/19/17/923931917.db2.gz UUZCCKMDYXFCLQ-IBGZPJMESA-N 0 0 405.527 4.490 20 30 HIEDRN C[C@@H]1CN(Cc2cccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)c2)CCO1 ZINC000516899665 923935457 /nfs/dbraw/zinc/93/54/57/923935457.db2.gz UDAWRMDGPYKFQK-OAHLLOKOSA-N 0 0 408.452 4.217 20 30 HIEDRN C=CCn1c(CCC2CCCCC2)nnc1N1CCn2c(nnc2-c2ccccc2)C1 ZINC000516997290 923959151 /nfs/dbraw/zinc/95/91/51/923959151.db2.gz DAXQSESFVXJJIR-UHFFFAOYSA-N 0 0 417.561 4.256 20 30 HIEDRN CS(=O)(=O)c1ccc(CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)cc1 ZINC000517044493 923971449 /nfs/dbraw/zinc/97/14/49/923971449.db2.gz 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Cc1nc(C(C)(C)NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)no1 ZINC000517288333 924078267 /nfs/dbraw/zinc/07/82/67/924078267.db2.gz POSPVIRAYDDUAW-UHFFFAOYSA-N 0 0 405.458 4.080 20 30 HIEDRN N#CCc1ccc(OCc2cccc(NC(=O)NCc3cccc4c3OCO4)c2)cc1 ZINC000517309639 924094334 /nfs/dbraw/zinc/09/43/34/924094334.db2.gz HUTWVDLABXSZHD-UHFFFAOYSA-N 0 0 415.449 4.382 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000517330553 924106698 /nfs/dbraw/zinc/10/66/98/924106698.db2.gz KIEYKYWGRNGAKP-GDBMZVCRSA-N 0 0 423.344 4.323 20 30 HIEDRN CCc1cc(C#N)c(NC(=O)c2ccn(-c3cccc(Br)c3)n2)s1 ZINC000517346562 924119141 /nfs/dbraw/zinc/11/91/41/924119141.db2.gz UHQBXKJIYGHGKM-UHFFFAOYSA-N 0 0 401.289 4.383 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)c3ccc(OCC(F)(F)F)cn3)cc2)ccn1 ZINC000517385456 924148861 /nfs/dbraw/zinc/14/88/61/924148861.db2.gz PZTTUSZAMODTBE-UHFFFAOYSA-N 0 0 414.343 4.334 20 30 HIEDRN COc1cc(CNC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)ccc1C#N ZINC000517442296 924191443 /nfs/dbraw/zinc/19/14/43/924191443.db2.gz QHYXWQOFRJAYNF-UHFFFAOYSA-N 0 0 413.327 4.091 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccccc3)cc2)ccn1 ZINC000517444947 924194570 /nfs/dbraw/zinc/19/45/70/924194570.db2.gz FEGZGDYMJUMJKT-JOCHJYFZSA-N 0 0 412.449 4.048 20 30 HIEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)c1N ZINC000517459338 924204677 /nfs/dbraw/zinc/20/46/77/924204677.db2.gz IPJHBDZMORLTOZ-QFIPXVFZSA-N 0 0 410.481 4.175 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000517480120 924220633 /nfs/dbraw/zinc/22/06/33/924220633.db2.gz ZJZMQCAJNYGMBK-UHFFFAOYSA-N 0 0 410.518 4.330 20 30 HIEDRN CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000517489259 924226097 /nfs/dbraw/zinc/22/60/97/924226097.db2.gz HZGSQSRUHCCUBY-UHFFFAOYSA-N 0 0 414.918 4.381 20 30 HIEDRN C=CCN(C(=O)NCCSc1ccc(C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517516519 924241881 /nfs/dbraw/zinc/24/18/81/924241881.db2.gz PJOMDTWNXHJUSC-GOSISDBHSA-N 0 0 422.558 4.022 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)NCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000517528925 924248163 /nfs/dbraw/zinc/24/81/63/924248163.db2.gz AGDOJRMWHOZYDE-UHFFFAOYSA-N 0 0 404.401 4.250 20 30 HIEDRN C=CCN(C(=O)Nc1ccc(C)cc1OCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530096 924248474 /nfs/dbraw/zinc/24/84/74/924248474.db2.gz ZUZBTLLHTRUDGE-QGZVFWFLSA-N 0 0 406.490 4.151 20 30 HIEDRN C=CCN(Cc1nnc(-c2ccccc2Cl)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529201 924248797 /nfs/dbraw/zinc/24/87/97/924248797.db2.gz OMTJBQJJWCOJBL-OAHLLOKOSA-N 0 0 421.892 4.115 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000517532598 924249286 /nfs/dbraw/zinc/24/92/86/924249286.db2.gz NBMJPMFPDDHGLK-INIZCTEOSA-N 0 0 414.575 4.384 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3ccc4ccc(Cl)cc43)C2)c(F)c1 ZINC000517582029 926694324 /nfs/dbraw/zinc/69/43/24/926694324.db2.gz ZPHDZBWOUNLTDA-GOSISDBHSA-N 0 0 410.880 4.091 20 30 HIEDRN Cc1nc(CC(C)C)sc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000517581076 926694404 /nfs/dbraw/zinc/69/44/04/926694404.db2.gz CBFDSZHNMFBDES-INIZCTEOSA-N 0 0 400.523 4.060 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CCC(=O)c3ccc(Cl)cc3)C2)c(F)c1 ZINC000517581385 926694518 /nfs/dbraw/zinc/69/45/18/926694518.db2.gz NKWCRIJKPUFBDS-SFHVURJKSA-N 0 0 413.880 4.099 20 30 HIEDRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000517631753 926740621 /nfs/dbraw/zinc/74/06/21/926740621.db2.gz RMWQCZIGTHDCRO-OAQYLSRUSA-N 0 0 403.486 4.219 20 30 HIEDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000517657367 926765478 /nfs/dbraw/zinc/76/54/78/926765478.db2.gz RWQZTDIPOPVTQB-UHFFFAOYSA-N 0 0 405.498 4.291 20 30 HIEDRN C=CCn1c(SCC(=O)Nc2ccc3[nH]cnc3c2)nnc1-c1ccc(Cl)cc1 ZINC000517669114 926775452 /nfs/dbraw/zinc/77/54/52/926775452.db2.gz WBNRBTRCIIRBSK-UHFFFAOYSA-N 0 0 424.917 4.392 20 30 HIEDRN N#Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2cccc3ccccc32)cc1 ZINC000517715166 926811045 /nfs/dbraw/zinc/81/10/45/926811045.db2.gz UKYYFNZTMYLHDU-AREMUKBSSA-N 0 0 419.484 4.347 20 30 HIEDRN C=CCc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc(OC)c1OC ZINC000517717508 926812236 /nfs/dbraw/zinc/81/22/36/926812236.db2.gz SLOJVEAJQNOXIL-FQEVSTJZSA-N 0 0 402.922 4.005 20 30 HIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCC)CC2CCCCC2)cc1 ZINC000517728071 926815800 /nfs/dbraw/zinc/81/58/00/926815800.db2.gz CCYWKPPIHGSBHJ-UHFFFAOYSA-N 0 0 407.580 4.317 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000517777384 926831635 /nfs/dbraw/zinc/83/16/35/926831635.db2.gz DHTHGOUKFNZCMA-OAQYLSRUSA-N 0 0 405.477 4.140 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000517787872 926835620 /nfs/dbraw/zinc/83/56/20/926835620.db2.gz KCXYERBILNZKRE-QGZVFWFLSA-N 0 0 419.422 4.022 20 30 HIEDRN CC(C)(C)c1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000517859950 926866612 /nfs/dbraw/zinc/86/66/12/926866612.db2.gz STWIEBJLTVNDNX-UHFFFAOYSA-N 0 0 407.470 4.448 20 30 HIEDRN N#CCN(C(=O)CC1(CC(=O)N(CC#N)c2ccccc2)CCCC1)c1ccccc1 ZINC000517934451 926894765 /nfs/dbraw/zinc/89/47/65/926894765.db2.gz SYKGLUWSGPXJQY-UHFFFAOYSA-N 0 0 414.509 4.441 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)c1ccccc1 ZINC000517992626 926933310 /nfs/dbraw/zinc/93/33/10/926933310.db2.gz WJDGGTKYIMYTHK-UPVQGACJSA-N 0 0 413.521 4.419 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)NCC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000518048842 926986051 /nfs/dbraw/zinc/98/60/51/926986051.db2.gz UJSKRGQTGPMAQO-UHFFFAOYSA-N 0 0 410.514 4.074 20 30 HIEDRN COc1ccc2oc([C@H](C)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c(C)c2c1 ZINC000518051941 926989424 /nfs/dbraw/zinc/98/94/24/926989424.db2.gz JWFWCFFMQZTFTE-LBPRGKRZSA-N 0 0 404.875 4.314 20 30 HIEDRN COCCN(CCCOc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000518094888 927016706 /nfs/dbraw/zinc/01/67/06/927016706.db2.gz ZTJOSUOIQFFJJE-UHFFFAOYSA-N 0 0 405.857 4.300 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000518102776 927022229 /nfs/dbraw/zinc/02/22/29/927022229.db2.gz SRSSJWRUGNLQIZ-UHFFFAOYSA-N 0 0 420.600 4.217 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000518137690 927040802 /nfs/dbraw/zinc/04/08/02/927040802.db2.gz NNZDRRUOOUQNAO-OAHLLOKOSA-N 0 0 410.495 4.311 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)cc1OCCOC ZINC000518148185 927046918 /nfs/dbraw/zinc/04/69/18/927046918.db2.gz FBXLPNKQWAIILH-UHFFFAOYSA-N 0 0 400.523 4.408 20 30 HIEDRN N#CCCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000518148471 927048495 /nfs/dbraw/zinc/04/84/95/927048495.db2.gz HSOQZGHFPLZRQR-UHFFFAOYSA-N 0 0 423.469 4.187 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000518169233 927060108 /nfs/dbraw/zinc/06/01/08/927060108.db2.gz PFMRVTTXUVXPEQ-CYBMUJFWSA-N 0 0 418.469 4.319 20 30 HIEDRN Cn1c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc2ccccc21 ZINC000518175822 927064195 /nfs/dbraw/zinc/06/41/95/927064195.db2.gz HVLAMHNQXIJVNS-CQSZACIVSA-N 0 0 402.479 4.257 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000518185222 927069755 /nfs/dbraw/zinc/06/97/55/927069755.db2.gz MRIIMHXCIJULAM-UHFFFAOYSA-N 0 0 424.472 4.411 20 30 HIEDRN N#Cc1ccccc1S(=O)(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000518247506 927106361 /nfs/dbraw/zinc/10/63/61/927106361.db2.gz CJNSVDQMEBHXTM-UHFFFAOYSA-N 0 0 415.927 4.082 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000518249531 927108207 /nfs/dbraw/zinc/10/82/07/927108207.db2.gz NFOCYONWBNFTGC-MRXNPFEDSA-N 0 0 423.513 4.474 20 30 HIEDRN COc1cc(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)cc(OC)c1OC ZINC000518255338 927111994 /nfs/dbraw/zinc/11/19/94/927111994.db2.gz KVZFWZBNFYOHQD-CQSZACIVSA-N 0 0 415.515 4.428 20 30 HIEDRN C=CCN(Cc1coc(-c2ccc(C)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254924 927112521 /nfs/dbraw/zinc/11/25/21/927112521.db2.gz BHLPMFYZQHKMCN-SFHVURJKSA-N 0 0 400.486 4.375 20 30 HIEDRN COc1cccc(N2CC[C@H](NC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)c1 ZINC000518259899 927116784 /nfs/dbraw/zinc/11/67/84/927116784.db2.gz QYTAPJSEDFLVQJ-IRXDYDNUSA-N 0 0 410.543 4.490 20 30 HIEDRN N#C[C@H]1N(S(=O)(=O)c2csc3ccc(Cl)cc32)CCC[C@]12CCCCO2 ZINC000518306367 927168255 /nfs/dbraw/zinc/16/82/55/927168255.db2.gz XESCQPRHRJHQEU-QZTJIDSGSA-N 0 0 410.948 4.171 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccccc3C(F)(F)F)C2)c(F)c1 ZINC000518319904 927184993 /nfs/dbraw/zinc/18/49/93/927184993.db2.gz AQGPOXNBSHLEBL-INIZCTEOSA-N 0 0 420.410 4.184 20 30 HIEDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000518375366 927228329 /nfs/dbraw/zinc/22/83/29/927228329.db2.gz HPPHYFGLEWIJKQ-OAHLLOKOSA-N 0 0 400.438 4.195 20 30 HIEDRN C[C@@H](CSc1ccccc1)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000518382111 927231425 /nfs/dbraw/zinc/23/14/25/927231425.db2.gz OSWPKFPWVQHXAE-SFHVURJKSA-N 0 0 416.550 4.183 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000518392771 927238289 /nfs/dbraw/zinc/23/82/89/927238289.db2.gz RZOUAJORBJUBQW-UHFFFAOYSA-N 0 0 402.853 4.236 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000518395490 927239321 /nfs/dbraw/zinc/23/93/21/927239321.db2.gz LFRDXEWBWMDDNK-OAQYLSRUSA-N 0 0 414.914 4.150 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000518401828 927242057 /nfs/dbraw/zinc/24/20/57/927242057.db2.gz QCYCEPHAZFMVKF-OAHLLOKOSA-N 0 0 420.431 4.492 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000518412818 927252957 /nfs/dbraw/zinc/25/29/57/927252957.db2.gz TUNWBMSLEQJOPZ-HXUWFJFHSA-N 0 0 407.514 4.120 20 30 HIEDRN COc1ccc(S(=O)(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)cc1 ZINC000518423719 927261586 /nfs/dbraw/zinc/26/15/86/927261586.db2.gz QWJTZTKHMPJRRU-UHFFFAOYSA-N 0 0 410.470 4.410 20 30 HIEDRN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000518443591 927277223 /nfs/dbraw/zinc/27/72/23/927277223.db2.gz JCLMRISFDQPEPN-IAGOWNOFSA-N 0 0 400.498 4.139 20 30 HIEDRN C=CC1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000518444855 927277953 /nfs/dbraw/zinc/27/79/53/927277953.db2.gz LEJYTLXREOBIKH-FQEVSTJZSA-N 0 0 405.970 4.100 20 30 HIEDRN N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1 ZINC000518521373 927323674 /nfs/dbraw/zinc/32/36/74/927323674.db2.gz WEDNIZQEPXUSQI-GOSISDBHSA-N 0 0 408.260 4.287 20 30 HIEDRN COC(=O)[C@](C)(NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000518571830 927353840 /nfs/dbraw/zinc/35/38/40/927353840.db2.gz LGDWHGUOUAMWMM-YCRPNKLZSA-N 0 0 419.308 4.270 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCN1CCCCC1=O ZINC000518579054 927359122 /nfs/dbraw/zinc/35/91/22/927359122.db2.gz BSNBHKYANZWZIF-UHFFFAOYSA-N 0 0 406.486 4.183 20 30 HIEDRN CC[C@@H](C)[C@H](NC(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000518643666 927399119 /nfs/dbraw/zinc/39/91/19/927399119.db2.gz QLEDJRIFQVRKLN-DVECYGJZSA-N 0 0 417.553 4.184 20 30 HIEDRN C[C@@H](Nc1ccccc1SC[C@@H](C)C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000518665825 927417264 /nfs/dbraw/zinc/41/72/64/927417264.db2.gz QLMLURFSXDENAE-RBUKOAKNSA-N 0 0 408.571 4.088 20 30 HIEDRN Cc1nc(C)c(CCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)s1 ZINC000518666046 927417577 /nfs/dbraw/zinc/41/75/77/927417577.db2.gz UZDMZEWXFFNTJC-UHFFFAOYSA-N 0 0 407.543 4.126 20 30 HIEDRN N#CCCSc1ccccc1NC(=O)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000518675962 927421918 /nfs/dbraw/zinc/42/19/18/927421918.db2.gz YLYQLTFVUUEVJT-UHFFFAOYSA-N 0 0 407.539 4.473 20 30 HIEDRN Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)s1 ZINC000518673810 927422657 /nfs/dbraw/zinc/42/26/57/927422657.db2.gz IHCZXGOWZDLKRD-JSGCOSHPSA-N 0 0 401.557 4.433 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000518683132 927428691 /nfs/dbraw/zinc/42/86/91/927428691.db2.gz JNURRYSCPXGRLT-QGZVFWFLSA-N 0 0 422.554 4.365 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000518716611 927452576 /nfs/dbraw/zinc/45/25/76/927452576.db2.gz AKGYJQDZAIAMRY-UHFFFAOYSA-N 0 0 405.479 4.197 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 ZINC000518726378 927458800 /nfs/dbraw/zinc/45/88/00/927458800.db2.gz MBLWMMPPGMYWMG-UHFFFAOYSA-N 0 0 412.493 4.338 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)Cc1ccc(C)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518733470 927462587 /nfs/dbraw/zinc/46/25/87/927462587.db2.gz BDSAVWMECAOWGY-WOJBJXKFSA-N 0 0 418.545 4.169 20 30 HIEDRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1=O ZINC000518739088 927465901 /nfs/dbraw/zinc/46/59/01/927465901.db2.gz MYDHNJRGFJCTJU-SJORKVTESA-N 0 0 423.538 4.471 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000518745905 927472570 /nfs/dbraw/zinc/47/25/70/927472570.db2.gz XWORWGQGFYKNDM-HNNXBMFYSA-N 0 0 420.494 4.104 20 30 HIEDRN Cc1ccccc1[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000518756602 927479042 /nfs/dbraw/zinc/47/90/42/927479042.db2.gz CXONGIWHIVMUTK-ZWKOTPCHSA-N 0 0 407.539 4.344 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCc4ccc(F)cc43)cc2)c1 ZINC000518756808 927479884 /nfs/dbraw/zinc/47/98/84/927479884.db2.gz JEUXGRLFAHGOGW-JOCHJYFZSA-N 0 0 415.424 4.232 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3ccc(-c4ccccc4)[nH]3)C2)c(F)c1 ZINC000518818660 927515202 /nfs/dbraw/zinc/51/52/02/927515202.db2.gz LZYSEIDQHUWWQE-NRFANRHFSA-N 0 0 416.500 4.410 20 30 HIEDRN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2Cl)n1 ZINC000518820504 927516126 /nfs/dbraw/zinc/51/61/26/927516126.db2.gz WJXNHWJKQSDDCG-HNNXBMFYSA-N 0 0 421.888 4.477 20 30 HIEDRN N#Cc1c(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)n[nH]c1C1CC1 ZINC000518821075 927516568 /nfs/dbraw/zinc/51/65/68/927516568.db2.gz MZCPNSABFLPSSO-UHFFFAOYSA-N 0 0 415.240 4.300 20 30 HIEDRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2Cl)n1 ZINC000518820505 927516654 /nfs/dbraw/zinc/51/66/54/927516654.db2.gz WJXNHWJKQSDDCG-OAHLLOKOSA-N 0 0 421.888 4.477 20 30 HIEDRN C[C@H]1CCc2c(C#N)c(NC(=O)CCSCCCNc3ncccn3)sc2C1 ZINC000518823623 927519834 /nfs/dbraw/zinc/51/98/34/927519834.db2.gz ASNMFELEZQNTFZ-AWEZNQCLSA-N 0 0 415.588 4.099 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000518847981 927552113 /nfs/dbraw/zinc/55/21/13/927552113.db2.gz QTCRVWAPGCOWBF-SJCJKPOMSA-N 0 0 422.699 4.381 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCC(c2nc(Cc3cccs3)no2)CC1 ZINC000518860091 927566048 /nfs/dbraw/zinc/56/60/48/927566048.db2.gz KAAWWBGWKPRTIV-UHFFFAOYSA-N 0 0 407.455 4.226 20 30 HIEDRN COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518902109 927612940 /nfs/dbraw/zinc/61/29/40/927612940.db2.gz PMJFDSPUBDVGAI-UHFFFAOYSA-N 0 0 407.813 4.438 20 30 HIEDRN COc1cc(OCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccc1[N+](=O)[O-] ZINC000519026596 927703784 /nfs/dbraw/zinc/70/37/84/927703784.db2.gz PIDXZGQSQNTMBJ-UHFFFAOYSA-N 0 0 419.393 4.285 20 30 HIEDRN CC(C)C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000519055931 927734156 /nfs/dbraw/zinc/73/41/56/927734156.db2.gz UOKUOAXFAYDFSP-FQEVSTJZSA-N 0 0 411.937 4.226 20 30 HIEDRN COc1cccc(CNC(=O)[C@H](C)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000519064705 927743237 /nfs/dbraw/zinc/74/32/37/927743237.db2.gz MWTLUFSXXPCMNK-KRWDZBQOSA-N 0 0 401.466 4.476 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](O)C2CCCCC2)cc1 ZINC000519175006 927812890 /nfs/dbraw/zinc/81/28/90/927812890.db2.gz LATUBTGIDWNXPY-FQEVSTJZSA-N 0 0 409.486 4.422 20 30 HIEDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000519179211 927813879 /nfs/dbraw/zinc/81/38/79/927813879.db2.gz ARWQRISJGZXKOW-KRWDZBQOSA-N 0 0 420.513 4.162 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000519187751 927817463 /nfs/dbraw/zinc/81/74/63/927817463.db2.gz HCYZARPTQXXYJU-LJQANCHMSA-N 0 0 409.465 4.055 20 30 HIEDRN N#CCc1ccc(OC[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000519189899 927818714 /nfs/dbraw/zinc/81/87/14/927818714.db2.gz NVIULTNRVLQINE-FQEVSTJZSA-N 0 0 400.434 4.235 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCc1ccccc1 ZINC000519221155 927834030 /nfs/dbraw/zinc/83/40/30/927834030.db2.gz PZIHTKHCIWWNEP-UHFFFAOYSA-N 0 0 412.324 4.149 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1 ZINC000519222118 927834200 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Cc1nc(C#N)c(N2CCC(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000530540210 930741218 /nfs/dbraw/zinc/74/12/18/930741218.db2.gz YSXNKGWJDSBVOC-UHFFFAOYSA-N 0 0 407.301 4.037 20 30 HIEDRN CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000530605173 930769303 /nfs/dbraw/zinc/76/93/03/930769303.db2.gz PTCDJNJBTVUGTH-HNNXBMFYSA-N 0 0 413.905 4.075 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(N3CCC(C)CC3)nc2)c1C ZINC000530635030 930781214 /nfs/dbraw/zinc/78/12/14/930781214.db2.gz NUWPEXZTJPOFEV-UHFFFAOYSA-N 0 0 414.513 4.244 20 30 HIEDRN Cn1cc(C[C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)cn1 ZINC000530642192 930784123 /nfs/dbraw/zinc/78/41/23/930784123.db2.gz IPAHMTJYZHOYST-KRWDZBQOSA-N 0 0 402.523 4.148 20 30 HIEDRN Cc1c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1-c1ccc(F)cc1F ZINC000530725748 930808590 /nfs/dbraw/zinc/80/85/90/930808590.db2.gz WYBRBPBLMFPAMI-NQIIRXRSSA-N 0 0 406.436 4.371 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000530733531 930811778 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HIEDRN N#C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530876758 930846006 /nfs/dbraw/zinc/84/60/06/930846006.db2.gz KOBPCCDAHBTTQY-HNNXBMFYSA-N 0 0 413.193 4.271 20 30 HIEDRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000531033322 930890706 /nfs/dbraw/zinc/89/07/06/930890706.db2.gz DSAUXYTXSULCDN-FQEVSTJZSA-N 0 0 400.486 4.282 20 30 HIEDRN COc1ccc(S[C@H](C)C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000531115974 930928527 /nfs/dbraw/zinc/92/85/27/930928527.db2.gz YWZAQHXROUVENQ-PXAZEXFGSA-N 0 0 410.417 4.455 20 30 HIEDRN C[C@@H](CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(F)c1 ZINC000531115815 930928701 /nfs/dbraw/zinc/92/87/01/930928701.db2.gz PWKTYMVWWYWTEI-YVEFUNNKSA-N 0 0 408.351 4.314 20 30 HIEDRN C[C@H](CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(F)c1 ZINC000531115812 930928928 /nfs/dbraw/zinc/92/89/28/930928928.db2.gz PWKTYMVWWYWTEI-PXAZEXFGSA-N 0 0 408.351 4.314 20 30 HIEDRN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(OCC(F)(F)F)n1 ZINC000531214775 930969358 /nfs/dbraw/zinc/96/93/58/930969358.db2.gz YLBSFGILDXADCV-UHFFFAOYSA-N 0 0 412.261 4.355 20 30 HIEDRN CCc1cccc(C)c1NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N ZINC000531217766 930969969 /nfs/dbraw/zinc/96/99/69/930969969.db2.gz RWNYQWKDBWAVFJ-UHFFFAOYSA-N 0 0 416.529 4.260 20 30 HIEDRN COC(=O)CCC1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000531236711 930977608 /nfs/dbraw/zinc/97/76/08/930977608.db2.gz ZDSSQZQJIJXGPI-UHFFFAOYSA-N 0 0 410.445 4.295 20 30 HIEDRN N#Cc1cccc(COc2cccc(CNCc3nnc(-c4ccc(F)cc4)[nH]3)c2)c1 ZINC000531257052 930984182 /nfs/dbraw/zinc/98/41/82/930984182.db2.gz WGKJYVIMPDLQJV-UHFFFAOYSA-N 0 0 413.456 4.351 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000531314282 931013016 /nfs/dbraw/zinc/01/30/16/931013016.db2.gz DIHYYHLANOPOFV-IBGZPJMESA-N 0 0 415.497 4.489 20 30 HIEDRN Cc1c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C)c1 ZINC000531353019 931027350 /nfs/dbraw/zinc/02/73/50/931027350.db2.gz KOSZPSYJKGGZFQ-IBGZPJMESA-N 0 0 414.387 4.382 20 30 HIEDRN N#C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(OC(F)(F)F)cc1 ZINC000531353688 931028661 /nfs/dbraw/zinc/02/86/61/931028661.db2.gz BNYKXOXBENSGLU-AWEZNQCLSA-N 0 0 422.388 4.010 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531353351 931028668 /nfs/dbraw/zinc/02/86/68/931028668.db2.gz WCLPJIGJHXJKNW-MOPGFXCFSA-N 0 0 420.387 4.138 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531353353 931028731 /nfs/dbraw/zinc/02/87/31/931028731.db2.gz WCLPJIGJHXJKNW-RBUKOAKNSA-N 0 0 420.387 4.138 20 30 HIEDRN C[C@@H]1Sc2ccc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2NC1=O ZINC000531353329 931028775 /nfs/dbraw/zinc/02/87/75/931028775.db2.gz NUETYLOYSUQMKJ-BONVTDFDSA-N 0 0 421.400 4.013 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531360726 931030700 /nfs/dbraw/zinc/03/07/00/931030700.db2.gz DHVBLZIWWDXNNN-UHFFFAOYSA-N 0 0 405.285 4.055 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(CNC(N)=O)cc2)cc1 ZINC000531367211 931032741 /nfs/dbraw/zinc/03/27/41/931032741.db2.gz MZIUUQHFALNULJ-UHFFFAOYSA-N 0 0 402.479 4.130 20 30 HIEDRN N#Cc1cccc(CC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1 ZINC000531385082 931039484 /nfs/dbraw/zinc/03/94/84/931039484.db2.gz JNVOPIGUJMZXNL-JOCHJYFZSA-N 0 0 401.535 4.078 20 30 HIEDRN COc1ccc(CCN(Cc2ccsc2)C(=O)Cc2cccc(C#N)c2)cc1OC ZINC000531389112 931040540 /nfs/dbraw/zinc/04/05/40/931040540.db2.gz CQJKKUTVDNNZMG-UHFFFAOYSA-N 0 0 420.534 4.451 20 30 HIEDRN N#Cc1cccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC000531391691 931041853 /nfs/dbraw/zinc/04/18/53/931041853.db2.gz CKTAAVJCMGXFDB-DEOSSOPVSA-N 0 0 418.880 4.431 20 30 HIEDRN N#CC1(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCOCC1 ZINC000531440828 931057770 /nfs/dbraw/zinc/05/77/70/931057770.db2.gz HZELCRITNLUOBD-UHFFFAOYSA-N 0 0 404.388 4.434 20 30 HIEDRN COc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000531448761 931061444 /nfs/dbraw/zinc/06/14/44/931061444.db2.gz QHHKAGKVJCXWMY-DLBZAZTESA-N 0 0 417.412 4.477 20 30 HIEDRN C=CCn1c(C)cc(C(=O)CN2CCC(Oc3c(OC)cccc3OC)CC2)c1C ZINC000531493685 931077169 /nfs/dbraw/zinc/07/71/69/931077169.db2.gz KINZIURBFTYCBK-UHFFFAOYSA-N 0 0 412.530 4.034 20 30 HIEDRN C[C@H]1SCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000531509279 931084281 /nfs/dbraw/zinc/08/42/81/931084281.db2.gz PTUQMJJZPUACQX-DVECYGJZSA-N 0 0 421.566 4.419 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000531520679 931089565 /nfs/dbraw/zinc/08/95/65/931089565.db2.gz ANCYIIQUSOMYLM-SFHVURJKSA-N 0 0 417.444 4.285 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000531617149 931129589 /nfs/dbraw/zinc/12/95/89/931129589.db2.gz JJNIAVOHGQGTDE-SFHVURJKSA-N 0 0 424.497 4.314 20 30 HIEDRN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000531646453 931137829 /nfs/dbraw/zinc/13/78/29/931137829.db2.gz SEMDCWHYJMTGAG-HSZRJFAPSA-N 0 0 421.541 4.068 20 30 HIEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000531648351 931138505 /nfs/dbraw/zinc/13/85/05/931138505.db2.gz OYTDQPPPJYTRGD-DEOSSOPVSA-N 0 0 420.463 4.284 20 30 HIEDRN N#CCc1ccnc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 ZINC000531670258 931145325 /nfs/dbraw/zinc/14/53/25/931145325.db2.gz ZEXCNXCCXFOIJA-UHFFFAOYSA-N 0 0 409.243 4.350 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000531713237 931170801 /nfs/dbraw/zinc/17/08/01/931170801.db2.gz QMWRCFHCHKZKOZ-MLGOLLRUSA-N 0 0 401.454 4.105 20 30 HIEDRN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000531774733 931191144 /nfs/dbraw/zinc/19/11/44/931191144.db2.gz DFXBVZVIZIWOOS-SFHVURJKSA-N 0 0 403.429 4.211 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000531926335 931247631 /nfs/dbraw/zinc/24/76/31/931247631.db2.gz IFEJMXIDWZSRLD-UHFFFAOYSA-N 0 0 416.428 4.398 20 30 HIEDRN N#CCc1ccnc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)c1 ZINC000531925710 931247843 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Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1Cl ZINC000538685300 938683806 /nfs/dbraw/zinc/68/38/06/938683806.db2.gz VSDVULMTUPTVNX-UHFFFAOYSA-N 0 0 417.296 4.163 20 30 HIEDRN N#CCc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000538690655 938684642 /nfs/dbraw/zinc/68/46/42/938684642.db2.gz XYLWFVYEBDUTOZ-MXVIHJGJSA-N 0 0 400.482 4.202 20 30 HIEDRN Cc1cc(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)nn1-c1cccc(F)c1 ZINC000538691615 938685080 /nfs/dbraw/zinc/68/50/80/938685080.db2.gz OTLKHBQZGQCWGY-GOSISDBHSA-N 0 0 418.350 4.213 20 30 HIEDRN C[C@H](c1cccnc1)N1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538740219 938698362 /nfs/dbraw/zinc/69/83/62/938698362.db2.gz UZSFXVPGJGHQOZ-OAQYLSRUSA-N 0 0 412.537 4.411 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000538741145 938698837 /nfs/dbraw/zinc/69/88/37/938698837.db2.gz ASOIJHIKRGKRFB-UHFFFAOYSA-N 0 0 404.470 4.427 20 30 HIEDRN COc1ccccc1COC1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000538785074 938710422 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N#C[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000538849551 938724674 /nfs/dbraw/zinc/72/46/74/938724674.db2.gz IJRSWBILSMTBPN-LBPRGKRZSA-N 0 0 424.322 4.147 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CSCc1ncn(-c2ccccc2)n1 ZINC000538850255 938724941 /nfs/dbraw/zinc/72/49/41/938724941.db2.gz WCIHAGBWCLRZSG-INIZCTEOSA-N 0 0 423.567 4.391 20 30 HIEDRN COc1ccc(-n2nc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2C)cc1 ZINC000538876678 938729791 /nfs/dbraw/zinc/72/97/91/938729791.db2.gz RZBXVUJJEWDPJX-GMAHTHKFSA-N 0 0 400.482 4.101 20 30 HIEDRN C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000539113111 938804640 /nfs/dbraw/zinc/80/46/40/938804640.db2.gz XWTZYMXUOPSCCT-OFVILXPXSA-N 0 0 412.537 4.314 20 30 HIEDRN CCN1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539156452 938813423 /nfs/dbraw/zinc/81/34/23/938813423.db2.gz YHXCEDXYJZGDEK-SFTDATJTSA-N 0 0 414.912 4.328 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2cc(Br)cc(Br)c2)n1 ZINC000539175043 938815682 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C=CC[C@H](CO)CNC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000539309383 938838490 /nfs/dbraw/zinc/83/84/90/938838490.db2.gz VYMZWHHJLHCNPJ-AWEZNQCLSA-N 0 0 421.419 4.264 20 30 HIEDRN C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000539309719 938838575 /nfs/dbraw/zinc/83/85/75/938838575.db2.gz XNGSIOUBUISGBK-LLVKDONJSA-N 0 0 408.336 4.290 20 30 HIEDRN C=CCOc1cccnc1C(=O)Nc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1C ZINC000539356732 938847618 /nfs/dbraw/zinc/84/76/18/938847618.db2.gz KHKBIMJVNOVAHX-IAGOWNOFSA-N 0 0 407.514 4.325 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)Cc1ccccc1OC ZINC000563520060 945209492 /nfs/dbraw/zinc/20/94/92/945209492.db2.gz PGJAUYJXOLZDGZ-UHFFFAOYSA-N 0 0 408.502 4.183 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000539431689 938859641 /nfs/dbraw/zinc/85/96/41/938859641.db2.gz UMZFFICLOHRSCM-GOSISDBHSA-N 0 0 420.619 4.182 20 30 HIEDRN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000539434350 938859883 /nfs/dbraw/zinc/85/98/83/938859883.db2.gz AINJSCRHDVDFSJ-IVZQSRNASA-N 0 0 405.429 4.391 20 30 HIEDRN CC(C)[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C2CC2)no1 ZINC000539492934 938868201 /nfs/dbraw/zinc/86/82/01/938868201.db2.gz CSYVBWMROONHCZ-SFHVURJKSA-N 0 0 413.547 4.074 20 30 HIEDRN COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000539494740 938868548 /nfs/dbraw/zinc/86/85/48/938868548.db2.gz OEOUFZXOSGJNDK-MZNJEOGPSA-N 0 0 420.534 4.411 20 30 HIEDRN CCOc1cccc2cc([C@@H](C)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)oc21 ZINC000539505782 938870092 /nfs/dbraw/zinc/87/00/92/938870092.db2.gz NVFYDRMAGLCJGH-OAHLLOKOSA-N 0 0 400.438 4.380 20 30 HIEDRN CC(C)(C)Cc1csc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000539535234 938874745 /nfs/dbraw/zinc/87/47/45/938874745.db2.gz VKMBRLIZDGGOAK-UHFFFAOYSA-N 0 0 405.545 4.061 20 30 HIEDRN N#C[C@@H](NC(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1cccc(C(F)(F)F)c1 ZINC000539542150 938876867 /nfs/dbraw/zinc/87/68/67/938876867.db2.gz CARSFAUXNQKQFZ-CYBMUJFWSA-N 0 0 423.757 4.073 20 30 HIEDRN C=CCN1CC[C@@H](Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C1=O ZINC000539670268 938898040 /nfs/dbraw/zinc/89/80/40/938898040.db2.gz STYLOAGRECPZAO-LJQANCHMSA-N 0 0 408.502 4.012 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)cc2)CC1 ZINC000539686117 938901164 /nfs/dbraw/zinc/90/11/64/938901164.db2.gz BQXBOIWSPJFQKA-UHFFFAOYSA-N 0 0 422.916 4.275 20 30 HIEDRN COc1cc2c(cc1F)CN(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)CC2 ZINC000539700343 938906068 /nfs/dbraw/zinc/90/60/68/938906068.db2.gz ATAZHKUDJSBRFQ-UHFFFAOYSA-N 0 0 403.413 4.092 20 30 HIEDRN C=CCN1CC[C@H](Sc2nc3sc4c(c3c(=O)n2CCCCC)CCC4)C1=O ZINC000539713227 938909497 /nfs/dbraw/zinc/90/94/97/938909497.db2.gz UYSNDOBNMYOBIF-INIZCTEOSA-N 0 0 417.600 4.016 20 30 HIEDRN Cc1cc(NC(=O)NCCc2ccc(OCc3ccccc3)cc2)nn1CCC#N ZINC000539719961 938912276 /nfs/dbraw/zinc/91/22/76/938912276.db2.gz PNDPZTHTEMSERW-UHFFFAOYSA-N 0 0 403.486 4.048 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000539756981 938924471 /nfs/dbraw/zinc/92/44/71/938924471.db2.gz PXXCIBFWVJVEBO-IBGZPJMESA-N 0 0 415.424 4.025 20 30 HIEDRN N#Cc1cc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c[nH]1 ZINC000539808435 938938957 /nfs/dbraw/zinc/93/89/57/938938957.db2.gz WEFNLAUECRDDJM-UHFFFAOYSA-N 0 0 413.250 4.026 20 30 HIEDRN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000539810139 938939553 /nfs/dbraw/zinc/93/95/53/938939553.db2.gz HPSGXVHLQHZCSX-JTQLQIEISA-N 0 0 401.289 4.263 20 30 HIEDRN COc1cccc(OC)c1OCc1noc(-c2cc(C3CC3)nc(SC)c2C#N)n1 ZINC000563567270 945217580 /nfs/dbraw/zinc/21/75/80/945217580.db2.gz GSKDVOGFCZUCCI-UHFFFAOYSA-N 0 0 424.482 4.199 20 30 HIEDRN Cn1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539821633 938945597 /nfs/dbraw/zinc/94/55/97/938945597.db2.gz AJZOWXNHQPOISK-VXKWHMMOSA-N 0 0 401.470 4.267 20 30 HIEDRN C=CCOc1ccc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1OC ZINC000539862572 938960558 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Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@]1(C)CCCOC1 ZINC000540131456 939084496 /nfs/dbraw/zinc/08/44/96/939084496.db2.gz JGBGVEZIISDMNK-QFIPXVFZSA-N 0 0 413.543 4.324 20 30 HIEDRN COc1cc(C)c(S(=O)(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1OC ZINC000540216623 939133078 /nfs/dbraw/zinc/13/30/78/939133078.db2.gz RQIYSNQHCBQLII-UHFFFAOYSA-N 0 0 422.506 4.029 20 30 HIEDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000540239001 939159325 /nfs/dbraw/zinc/15/93/25/939159325.db2.gz JTRMTKKEEMITQD-TYILLQQXSA-N 0 0 416.319 4.457 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000540287269 939183668 /nfs/dbraw/zinc/18/36/68/939183668.db2.gz VDQBCZAEMNRADB-IEBWSBKVSA-N 0 0 422.554 4.122 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000540287054 939183895 /nfs/dbraw/zinc/18/38/95/939183895.db2.gz QAAXSILUHLSXHU-UHFFFAOYSA-N 0 0 422.444 4.135 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000540287271 939183897 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HIEDRN C=CCCC[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1 ZINC000540374292 939215549 /nfs/dbraw/zinc/21/55/49/939215549.db2.gz DTQDTMLPRWPNDD-QGZVFWFLSA-N 0 0 404.555 4.253 20 30 HIEDRN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc(F)cc1F ZINC000540389931 939227121 /nfs/dbraw/zinc/22/71/21/939227121.db2.gz JPKPFRJUKRABQY-DNVCBOLYSA-N 0 0 401.457 4.349 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000540397934 939233620 /nfs/dbraw/zinc/23/36/20/939233620.db2.gz OFZXTLYBSLGRTM-UHFFFAOYSA-N 0 0 405.376 4.272 20 30 HIEDRN C=CC[C@@H](CO)CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000540417724 939241472 /nfs/dbraw/zinc/24/14/72/939241472.db2.gz HBCFRYHIWQJOBL-OAHLLOKOSA-N 0 0 403.935 4.022 20 30 HIEDRN C=CC[C@@H](CO)CNC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C ZINC000540423021 939242729 /nfs/dbraw/zinc/24/27/29/939242729.db2.gz NQPULMCCPMNCLW-GFCCVEGCSA-N 0 0 410.898 4.016 20 30 HIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000540431868 939246760 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407.514 4.394 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000554866734 942298562 /nfs/dbraw/zinc/29/85/62/942298562.db2.gz KNRAIAWJZWUJAK-KRWDZBQOSA-N 0 0 401.514 4.490 20 30 HIEDRN Cn1c(-c2ccc(C#N)cc2)nnc1N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000554913580 942317427 /nfs/dbraw/zinc/31/74/27/942317427.db2.gz XPXHLQTZFPYQFO-UHFFFAOYSA-N 0 0 416.312 4.050 20 30 HIEDRN Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1CCCc1ccccc1 ZINC000554920172 942319759 /nfs/dbraw/zinc/31/97/59/942319759.db2.gz WKOMFYQPYVFOEH-NRFANRHFSA-N 0 0 401.514 4.257 20 30 HIEDRN C[C@H](NC(=O)NCCc1c[nH]c2cccc(Br)c12)c1ccc(C#N)cc1 ZINC000554920719 942320556 /nfs/dbraw/zinc/32/05/56/942320556.db2.gz WGPKDSPEGQUVIM-ZDUSSCGKSA-N 0 0 411.303 4.405 20 30 HIEDRN C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000554922721 942320858 /nfs/dbraw/zinc/32/08/58/942320858.db2.gz WIVILCBKZJTSII-UHFFFAOYSA-N 0 0 412.453 4.150 20 30 HIEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000554954610 942332304 /nfs/dbraw/zinc/33/23/04/942332304.db2.gz OSYHDAZMHXAIQG-UHFFFAOYSA-N 0 0 414.465 4.336 20 30 HIEDRN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccc(C(F)(F)F)cc1 ZINC000554987626 942344231 /nfs/dbraw/zinc/34/42/31/942344231.db2.gz SZISIQLIAIYFNY-LBPRGKRZSA-N 0 0 417.366 4.785 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000555019743 942359309 /nfs/dbraw/zinc/35/93/09/942359309.db2.gz VPROQEYBBBLFGP-IBGZPJMESA-N 0 0 403.461 4.075 20 30 HIEDRN CC[C@H](c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC)c1ccccc1 ZINC000555019903 942359390 /nfs/dbraw/zinc/35/93/90/942359390.db2.gz ALBKIHXHYIVPJR-NRFANRHFSA-N 0 0 400.530 4.038 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C ZINC000555021522 942359604 /nfs/dbraw/zinc/35/96/04/942359604.db2.gz TYYWKVDYGQGWCR-UHFFFAOYSA-N 0 0 423.492 4.415 20 30 HIEDRN COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)ccc1C#N ZINC000555074343 942377445 /nfs/dbraw/zinc/37/74/45/942377445.db2.gz SPXIUWLCPMEDMW-NSHDSACASA-N 0 0 423.694 4.066 20 30 HIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CSc2ccccc2)C1 ZINC000555095887 942384086 /nfs/dbraw/zinc/38/40/86/942384086.db2.gz CMJBIRFOCMQYMR-IBGZPJMESA-N 0 0 419.554 4.367 20 30 HIEDRN CCn1c(-c2cc3c(C)nn(-c4ccccc4)c3s2)nnc1N(C)C[C@@H](C)C#N ZINC000555097558 942384589 /nfs/dbraw/zinc/38/45/89/942384589.db2.gz PZIAEWOKDATEIU-AWEZNQCLSA-N 0 0 405.531 4.270 20 30 HIEDRN Cc1cccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000555099393 942385279 /nfs/dbraw/zinc/38/52/79/942385279.db2.gz GXTGKZGTURFNII-UHFFFAOYSA-N 0 0 402.420 4.235 20 30 HIEDRN CCn1c(-c2ccc(C)s2)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000555102227 942385842 /nfs/dbraw/zinc/38/58/42/942385842.db2.gz MSPKQGANGUSGQJ-UHFFFAOYSA-N 0 0 420.542 4.062 20 30 HIEDRN N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCO[C@@H]3c3ccccc3)o2)cc1 ZINC000555115177 942388884 /nfs/dbraw/zinc/38/88/84/942388884.db2.gz UULPKRICVOKFGW-WMZHIEFXSA-N 0 0 402.450 4.238 20 30 HIEDRN O=C(NCC#Cc1cccc(F)c1)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000555212091 942432857 /nfs/dbraw/zinc/43/28/57/942432857.db2.gz TXMNMPODVKVDPT-UHFFFAOYSA-N 0 0 405.448 4.166 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCCCC1 ZINC000555222593 942435959 /nfs/dbraw/zinc/43/59/59/942435959.db2.gz QTCFROMUPWHVHM-UHFFFAOYSA-N 0 0 409.582 4.045 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC(C(=O)NCCCC)CC1 ZINC000555241348 942442076 /nfs/dbraw/zinc/44/20/76/942442076.db2.gz MCZZRCKNKZPQBS-UHFFFAOYSA-N 0 0 401.599 4.110 20 30 HIEDRN C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000555242136 942443136 /nfs/dbraw/zinc/44/31/36/942443136.db2.gz CWULWYVGUDPKCE-GOSISDBHSA-N 0 0 414.554 4.061 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC000555243400 942443280 /nfs/dbraw/zinc/44/32/80/942443280.db2.gz RYVMEQVLECNVDG-UHFFFAOYSA-N 0 0 407.518 4.066 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC000555247307 942445183 /nfs/dbraw/zinc/44/51/83/942445183.db2.gz BKILSANMKYPTNP-UWJYYQICSA-N 0 0 414.550 4.178 20 30 HIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000555253651 942447874 /nfs/dbraw/zinc/44/78/74/942447874.db2.gz OJAAWNUEXIMRMX-GOSISDBHSA-N 0 0 421.545 4.256 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000555253683 942448062 /nfs/dbraw/zinc/44/80/62/942448062.db2.gz PDVFGJVJTUMFOI-RUZDIDTESA-N 0 0 418.541 4.449 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N(C)CC1CCOCC1 ZINC000555254493 942449006 /nfs/dbraw/zinc/44/90/06/942449006.db2.gz ORZINQOUSKIQSG-UHFFFAOYSA-N 0 0 414.550 4.181 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2ccccc2c1 ZINC000555256566 942449962 /nfs/dbraw/zinc/44/99/62/942449962.db2.gz LZNJVQGHHQMZKV-UHFFFAOYSA-N 0 0 412.497 4.291 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000555258595 942450970 /nfs/dbraw/zinc/45/09/70/942450970.db2.gz PKXDIQAKZMOBMG-PMACEKPBSA-N 0 0 403.530 4.322 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nnc1C(C)(C)C ZINC000555262649 942452688 /nfs/dbraw/zinc/45/26/88/942452688.db2.gz UKDWXCPCZHMADU-HNNXBMFYSA-N 0 0 416.957 4.055 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC000555263807 942452807 /nfs/dbraw/zinc/45/28/07/942452807.db2.gz JXVZCCOKWZYJEO-FQEVSTJZSA-N 0 0 403.530 4.465 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[C@@](C)(OC)C1 ZINC000555263838 942453471 /nfs/dbraw/zinc/45/34/71/942453471.db2.gz KDMYOVBMFOIDKA-WZONZLPQSA-N 0 0 414.550 4.398 20 30 HIEDRN C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC000555267389 942455310 /nfs/dbraw/zinc/45/53/10/942455310.db2.gz XVXVBJOMBITUDJ-QHCPKHFHSA-N 0 0 418.541 4.362 20 30 HIEDRN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCCCC)CC1 ZINC000555267605 942455395 /nfs/dbraw/zinc/45/53/95/942455395.db2.gz BZJAKVLXEIUSCF-UHFFFAOYSA-N 0 0 420.561 4.492 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC000555266921 942455414 /nfs/dbraw/zinc/45/54/14/942455414.db2.gz JXAMHVBKTILAOS-UHFFFAOYSA-N 0 0 411.456 4.158 20 30 HIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000555268698 942455807 /nfs/dbraw/zinc/45/58/07/942455807.db2.gz LXHIWUNKFGTIJX-IMWIBFENSA-N 0 0 407.562 4.399 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC000555269416 942455855 /nfs/dbraw/zinc/45/58/55/942455855.db2.gz NKKIHMMTSBPKIF-DEOSSOPVSA-N 0 0 402.498 4.166 20 30 HIEDRN CC(C)(CNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000555269567 942455990 /nfs/dbraw/zinc/45/59/90/942455990.db2.gz PWRNTCANSCHWLK-UHFFFAOYSA-N 0 0 424.263 4.367 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC000555272532 942457835 /nfs/dbraw/zinc/45/78/35/942457835.db2.gz OUZYIOGGOZCHGG-JOCHJYFZSA-N 0 0 404.514 4.416 20 30 HIEDRN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000555273307 942458525 /nfs/dbraw/zinc/45/85/25/942458525.db2.gz WLWGUNDTDAVUAM-UHFFFAOYSA-N 0 0 421.570 4.217 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CCCCC2)C1 ZINC000555285892 942462475 /nfs/dbraw/zinc/46/24/75/942462475.db2.gz PWPTWPRJZQKXJE-UHFFFAOYSA-N 0 0 413.591 4.396 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000555285237 942462705 /nfs/dbraw/zinc/46/27/05/942462705.db2.gz CURJBJFOKAWLHM-UHFFFAOYSA-N 0 0 424.570 4.124 20 30 HIEDRN CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC000555305595 942469747 /nfs/dbraw/zinc/46/97/47/942469747.db2.gz UCHTXOMQASLQRY-GOSISDBHSA-N 0 0 411.550 4.028 20 30 HIEDRN CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)cs1 ZINC000555357136 942492351 /nfs/dbraw/zinc/49/23/51/942492351.db2.gz QCUXAWNXPATTLB-UHFFFAOYSA-N 0 0 410.547 4.040 20 30 HIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000555363837 942496274 /nfs/dbraw/zinc/49/62/74/942496274.db2.gz MCBYVIVNKDDAJH-SFHVURJKSA-N 0 0 420.586 4.417 20 30 HIEDRN CCc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)cc1 ZINC000555390814 942510132 /nfs/dbraw/zinc/51/01/32/942510132.db2.gz AXDPDJBHRAKHMK-QFIPXVFZSA-N 0 0 401.514 4.195 20 30 HIEDRN N#Cc1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)cnc1C(F)(F)F ZINC000555409187 942519111 /nfs/dbraw/zinc/51/91/11/942519111.db2.gz RPZZSPNQOVQTHW-UHFFFAOYSA-N 0 0 407.402 4.227 20 30 HIEDRN C=C(C)CN(CC)C(=O)CS(=O)(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000555471779 942573939 /nfs/dbraw/zinc/57/39/39/942573939.db2.gz RYVCLMKSHFTYOH-OAQYLSRUSA-N 0 0 405.947 4.269 20 30 HIEDRN CSc1ccccc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000555487323 942589986 /nfs/dbraw/zinc/58/99/86/942589986.db2.gz JXFLSRYKZOPPNA-SFHVURJKSA-N 0 0 419.554 4.212 20 30 HIEDRN C=CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCCO1 ZINC000555490760 942592630 /nfs/dbraw/zinc/59/26/30/942592630.db2.gz CYWJRBAYGAJAQE-HNNXBMFYSA-N 0 0 411.333 4.355 20 30 HIEDRN Cc1ccc([C@H](NC(=O)C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000555778466 942730055 /nfs/dbraw/zinc/73/00/55/942730055.db2.gz WDGKSONOKYEOAR-QHCPKHFHSA-N 0 0 403.526 4.119 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000555800917 942738580 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C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000558154549 943398272 /nfs/dbraw/zinc/39/82/72/943398272.db2.gz BZGRVSBRNYGTCD-FQQGMQMYSA-N 0 0 418.541 4.279 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000558187063 943419608 /nfs/dbraw/zinc/41/96/08/943419608.db2.gz KEIOPEAAPCHDPT-LJQANCHMSA-N 0 0 402.947 4.492 20 30 HIEDRN C[C@](CO)(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1cccc(O)c1 ZINC000558201811 943430492 /nfs/dbraw/zinc/43/04/92/943430492.db2.gz WQBJHAMHYKLFCW-HSZRJFAPSA-N 0 0 421.428 4.224 20 30 HIEDRN COc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl ZINC000558228236 943446461 /nfs/dbraw/zinc/44/64/61/943446461.db2.gz LVDHCOLCNDFNCB-UHFFFAOYSA-N 0 0 403.841 4.435 20 30 HIEDRN CC[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@H](C)[S@]1=O ZINC000558304479 943494342 /nfs/dbraw/zinc/49/43/42/943494342.db2.gz GAMRJSPRAZUECH-UIFIDQECSA-N 0 0 411.527 4.422 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2c3ccc(F)cc3O[C@H]2C)cc1 ZINC000558320979 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HIEDRN C=CCn1c(Cc2ccccn2)nnc1N(CC)Cc1ccccc1Br ZINC000558453271 943563648 /nfs/dbraw/zinc/56/36/48/943563648.db2.gz ZPZWNEPBYFYVOT-UHFFFAOYSA-N 0 0 412.335 4.239 20 30 HIEDRN C=CCn1c(COc2ccccc2Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC000558457400 943565350 /nfs/dbraw/zinc/56/53/50/943565350.db2.gz ZQJLYNFQBIVCTC-IBGZPJMESA-N 0 0 401.514 4.372 20 30 HIEDRN COc1ccc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c(OC)n1 ZINC000558490531 943573679 /nfs/dbraw/zinc/57/36/79/943573679.db2.gz ULYVDZAZUXBTJH-UHFFFAOYSA-N 0 0 404.426 4.084 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000558513256 943582969 /nfs/dbraw/zinc/58/29/69/943582969.db2.gz IDMWQUPFLJGYHS-UHFFFAOYSA-N 0 0 400.429 4.027 20 30 HIEDRN CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000558547686 943593852 /nfs/dbraw/zinc/59/38/52/943593852.db2.gz XHXJYRONAWADHU-SFHVURJKSA-N 0 0 417.431 4.289 20 30 HIEDRN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558571462 943603253 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C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000558990222 943790879 /nfs/dbraw/zinc/79/08/79/943790879.db2.gz OPFWRAJSXQQNDL-IBGZPJMESA-N 0 0 423.561 4.042 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000558990874 943790897 /nfs/dbraw/zinc/79/08/97/943790897.db2.gz AVHLDROBEOWSBU-PMACEKPBSA-N 0 0 409.578 4.351 20 30 HIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3cccc(Cl)c3Cl)CC2)o1 ZINC000558995681 943794081 /nfs/dbraw/zinc/79/40/81/943794081.db2.gz ITBRHWGDSFBYPC-NSHDSACASA-N 0 0 407.301 4.255 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000558995952 943794138 /nfs/dbraw/zinc/79/41/38/943794138.db2.gz UDNQGEXWCBYWCL-PGRDOPGGSA-N 0 0 410.562 4.419 20 30 HIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC000558995282 943794425 /nfs/dbraw/zinc/79/44/25/943794425.db2.gz UYBSHKRYABIZSS-VABKMULXSA-N 0 0 422.573 4.352 20 30 HIEDRN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000558997359 943795410 /nfs/dbraw/zinc/79/54/10/943795410.db2.gz OBDFMTDBRGIDDP-GOSISDBHSA-N 0 0 419.367 4.393 20 30 HIEDRN C=C(C)Cn1c(-c2ccoc2)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000558997007 943795626 /nfs/dbraw/zinc/79/56/26/943795626.db2.gz BHFUCOPCULEPSR-GOSISDBHSA-N 0 0 402.857 4.485 20 30 HIEDRN C=C(C)Cn1c(CCC(C)C)nnc1N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000559003293 943798360 /nfs/dbraw/zinc/79/83/60/943798360.db2.gz HPWAECSGDKYOKP-FQEVSTJZSA-N 0 0 413.610 4.062 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CC(F)(F)F)C1 ZINC000559003629 943798410 /nfs/dbraw/zinc/79/84/10/943798410.db2.gz FKLPUDAHGQZVFG-PBHICJAKSA-N 0 0 408.424 4.145 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc([C@H](C)SCC)no1 ZINC000559003722 943798812 /nfs/dbraw/zinc/79/88/12/943798812.db2.gz MLIXOBHMFOKULX-HNNXBMFYSA-N 0 0 413.551 4.058 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000559005638 943800564 /nfs/dbraw/zinc/80/05/64/943800564.db2.gz RHGQEFWTGJOPJL-IAGOWNOFSA-N 0 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HIEDRN C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC12CCC2 ZINC000559206251 943871968 /nfs/dbraw/zinc/87/19/68/943871968.db2.gz PLTHERPNMLAKDX-GHTZIAJQSA-N 0 0 405.546 4.402 20 30 HIEDRN C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC12CCC2 ZINC000559207221 943872439 /nfs/dbraw/zinc/87/24/39/943872439.db2.gz OKUSVVCKMAJAPW-RXVVDRJESA-N 0 0 405.546 4.402 20 30 HIEDRN Cc1ccccc1[C@H](OC[C@@H](O)COc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000559283723 943890157 /nfs/dbraw/zinc/89/01/57/943890157.db2.gz VVOVRQKDOSMIED-GBXCKJPGSA-N 0 0 418.449 4.321 20 30 HIEDRN N#Cc1ccc(OC[C@@H](O)COc2ccccc2Oc2ccc(C#N)cc2F)cc1 ZINC000559297333 943892126 /nfs/dbraw/zinc/89/21/26/943892126.db2.gz BYMKONZZMGSULI-GOSISDBHSA-N 0 0 404.397 4.180 20 30 HIEDRN CCCOc1c(Br)cc(Br)cc1CNCC1(C#N)CC1 ZINC000559334321 943898526 /nfs/dbraw/zinc/89/85/26/943898526.db2.gz OFFWZDCQFOKPAY-UHFFFAOYSA-N 0 0 402.130 4.394 20 30 HIEDRN C=CCc1cc(CNC(=O)[C@H](C)[C@H]2OCCc3sccc32)cc(OC)c1OC ZINC000559340060 943899590 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20 30 HIEDRN C[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)Oc1cccc(Cl)c1 ZINC000559650692 944024495 /nfs/dbraw/zinc/02/44/95/944024495.db2.gz KSKYRVHSHOYLHH-GFCCVEGCSA-N 0 0 419.934 4.093 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000559698728 944030919 /nfs/dbraw/zinc/03/09/19/944030919.db2.gz HEQUUVUMUYNKKS-DZGCQCFKSA-N 0 0 409.433 4.359 20 30 HIEDRN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000559698731 944031006 /nfs/dbraw/zinc/03/10/06/944031006.db2.gz HEQUUVUMUYNKKS-ZFWWWQNUSA-N 0 0 409.433 4.359 20 30 HIEDRN CCOC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)nc1 ZINC000559712915 944033632 /nfs/dbraw/zinc/03/36/32/944033632.db2.gz JRVZMSOOSXOYRF-UHFFFAOYSA-N 0 0 417.440 4.425 20 30 HIEDRN N#Cc1ccc(NC(=O)CCN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1Cl ZINC000559739237 944040898 /nfs/dbraw/zinc/04/08/98/944040898.db2.gz BHOKAMRRBJKIKL-LJQANCHMSA-N 0 0 422.287 4.406 20 30 HIEDRN C[C@H](Cc1cnc2ccccc2n1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000559742563 944042549 /nfs/dbraw/zinc/04/25/49/944042549.db2.gz CVBXNXUDMQNBKT-FQVISZRSSA-N 0 0 414.509 4.186 20 30 HIEDRN CCCN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000559774360 944048732 /nfs/dbraw/zinc/04/87/32/944048732.db2.gz QJDFSGXOGWIGFB-GFCCVEGCSA-N 0 0 405.285 4.198 20 30 HIEDRN CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000559787349 944050264 /nfs/dbraw/zinc/05/02/64/944050264.db2.gz SGALHEQEZWMBCJ-QFIPXVFZSA-N 0 0 421.541 4.209 20 30 HIEDRN C=C[C@@H](CC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1ccccc1 ZINC000559827004 944062031 /nfs/dbraw/zinc/06/20/31/944062031.db2.gz PTNKEKOCAZNIPZ-WMZHIEFXSA-N 0 0 404.510 4.153 20 30 HIEDRN COc1cccc(CN(C)C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)c1OC ZINC000560002102 944124469 /nfs/dbraw/zinc/12/44/69/944124469.db2.gz QLBSKFLWDCZQSC-UHFFFAOYSA-N 0 0 424.444 4.345 20 30 HIEDRN COCC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000560068348 944147426 /nfs/dbraw/zinc/14/74/26/944147426.db2.gz QYPRHXFIDHRBCQ-GOSISDBHSA-N 0 0 413.326 4.062 20 30 HIEDRN COCC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000560068349 944147686 /nfs/dbraw/zinc/14/76/86/944147686.db2.gz QYPRHXFIDHRBCQ-SFHVURJKSA-N 0 0 413.326 4.062 20 30 HIEDRN COCCN(C(=O)c1cc(Cl)cc(F)c1Br)c1ccc(C#N)cc1 ZINC000560075370 944150121 /nfs/dbraw/zinc/15/01/21/944150121.db2.gz CYVJOTAABRIKHG-UHFFFAOYSA-N 0 0 411.658 4.406 20 30 HIEDRN N#CC1(N(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C2CC2)CCC1 ZINC000560099521 944158866 /nfs/dbraw/zinc/15/88/66/944158866.db2.gz ANLJFGLPBZEUKZ-UHFFFAOYSA-N 0 0 404.239 4.294 20 30 HIEDRN N#C[C@@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC1)c1cccc(Br)c1 ZINC000560104466 944160766 /nfs/dbraw/zinc/16/07/66/944160766.db2.gz VEWJJWVUVMWTDL-MRXNPFEDSA-N 0 0 405.679 4.395 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(CC(F)(F)F)CC3)C2)c(F)c1 ZINC000560115476 944164552 /nfs/dbraw/zinc/16/45/52/944164552.db2.gz VECOVLYXGOHRCN-MRXNPFEDSA-N 0 0 412.431 4.040 20 30 HIEDRN CCC1(CNC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CCCC1 ZINC000560193048 944192895 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N#Cc1ccc(N2CCC(C(=O)N3CCC(OCC4CCCC4)CC3)CC2)c(F)c1 ZINC000560560335 944254514 /nfs/dbraw/zinc/25/45/14/944254514.db2.gz ICHYTTRMLCISEL-UHFFFAOYSA-N 0 0 413.537 4.112 20 30 HIEDRN C=CCOc1c(Br)cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000560630166 944279388 /nfs/dbraw/zinc/27/93/88/944279388.db2.gz UBKWVEBLYZAOCF-UXHICEINSA-N 0 0 408.336 4.166 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000560711721 944304414 /nfs/dbraw/zinc/30/44/14/944304414.db2.gz QNEOSVBUUBNDGA-UHFFFAOYSA-N 0 0 414.303 4.049 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 ZINC000560712487 944306463 /nfs/dbraw/zinc/30/64/63/944306463.db2.gz YGEGWXMMFBWVOO-UHFFFAOYSA-N 0 0 417.494 4.023 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000560726841 944311784 /nfs/dbraw/zinc/31/17/84/944311784.db2.gz YBNBZIFUGRALNG-IBGZPJMESA-N 0 0 406.530 4.394 20 30 HIEDRN COc1ccc(CCCCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000560762927 944323944 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CCc1c(NC(=O)NCc2ccc(C#N)c(OC)c2)cnn1-c1ccccc1Cl ZINC000565686535 945867318 /nfs/dbraw/zinc/86/73/18/945867318.db2.gz MHTBZZJOEFYAMV-UHFFFAOYSA-N 0 0 409.877 4.290 20 30 HIEDRN CN1CCc2ccc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)cc21 ZINC000565708078 945871273 /nfs/dbraw/zinc/87/12/73/945871273.db2.gz GMHMTWAGTRVKIK-UHFFFAOYSA-N 0 0 408.933 4.449 20 30 HIEDRN CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000565798216 945885523 /nfs/dbraw/zinc/88/55/23/945885523.db2.gz RJOUWHAEWDKNEK-QGZVFWFLSA-N 0 0 412.342 4.165 20 30 HIEDRN C=CCn1c(SCc2cc(C(=O)OC)co2)nc2sc3c(c2c1=O)CCCC3 ZINC000565903070 945908914 /nfs/dbraw/zinc/90/89/14/945908914.db2.gz FWJLVVLOKDPLGL-UHFFFAOYSA-N 0 0 416.524 4.195 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000565897462 945909401 /nfs/dbraw/zinc/90/94/01/945909401.db2.gz CLCYUXZRGLWTAX-AWEZNQCLSA-N 0 0 423.344 4.355 20 30 HIEDRN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000565941666 945935957 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C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CCOc2ccc(C)cc2)cc1 ZINC000056756792 850469331 /nfs/dbraw/zinc/46/93/31/850469331.db2.gz QQLWZPQOUDKNKY-UHFFFAOYSA-N 0 0 407.514 4.352 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](O)COc1ccccc1 ZINC000056800375 850487820 /nfs/dbraw/zinc/48/78/20/850487820.db2.gz FWRFUOQCZWWMBK-IBGZPJMESA-N 0 0 417.465 4.220 20 30 HIEDRN N#Cc1ccc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000056802868 850487921 /nfs/dbraw/zinc/48/79/21/850487921.db2.gz JATMCNHBWXDBQG-UHFFFAOYSA-N 0 0 417.431 4.125 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000056816623 850492668 /nfs/dbraw/zinc/49/26/68/850492668.db2.gz CNYSXMZCIFZAJJ-NRFANRHFSA-N 0 0 408.477 4.055 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000057303246 850602730 /nfs/dbraw/zinc/60/27/30/850602730.db2.gz ZSNTUPWSZOHXBN-IBGZPJMESA-N 0 0 418.324 4.467 20 30 HIEDRN N#CC1(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)CCCCC1 ZINC000057396759 850629475 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HIEDRN C=C[C@@H]1CCCCN1C(=O)N[C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000426074176 856088197 /nfs/dbraw/zinc/08/81/97/856088197.db2.gz CTJQOJLIRLXVCZ-IRLDBZIGSA-N 0 0 412.555 4.238 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)NCC[C@@H](O)C(F)(F)F)cc2Cl)cc1 ZINC000426077061 856091028 /nfs/dbraw/zinc/09/10/28/856091028.db2.gz CHQUKXRTKKUCKW-MRXNPFEDSA-N 0 0 413.783 4.439 20 30 HIEDRN CC(C)[C@@](C)(C#N)NC(=O)c1cc(I)c(Cl)cc1Cl ZINC000426093732 856103882 /nfs/dbraw/zinc/10/38/82/856103882.db2.gz YMCPASFEQMGOQM-CYBMUJFWSA-N 0 0 411.070 4.266 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000426114611 856115888 /nfs/dbraw/zinc/11/58/88/856115888.db2.gz PRLFPIVPJMQVRB-UHFFFAOYSA-N 0 0 419.294 4.399 20 30 HIEDRN COc1cc(OC)cc(OCCCN(C)C(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000426134921 856129567 /nfs/dbraw/zinc/12/95/67/856129567.db2.gz BJQJXWWNXIYLHB-UHFFFAOYSA-N 0 0 403.866 4.162 20 30 HIEDRN CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000426142719 856135234 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CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC(O)(CC)CC3)sc2C1 ZINC000426428478 856285589 /nfs/dbraw/zinc/28/55/89/856285589.db2.gz RWVAQPNBNAYIRQ-INIZCTEOSA-N 0 0 417.619 4.336 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(CS(=O)(=O)c2ccc(C)cc2)no1 ZINC000426439614 856291437 /nfs/dbraw/zinc/29/14/37/856291437.db2.gz YWYSAGJUTAJHFG-UHFFFAOYSA-N 0 0 409.492 4.414 20 30 HIEDRN N#Cc1cccc(NCC(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000426446842 856294888 /nfs/dbraw/zinc/29/48/88/856294888.db2.gz CSIWPTJHUBZASG-QGZVFWFLSA-N 0 0 421.888 4.080 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)CNc3cccc(C#N)c3)cc2F)c1 ZINC000426445283 856294949 /nfs/dbraw/zinc/29/49/49/856294949.db2.gz LWECHMDEOFNFKY-UHFFFAOYSA-N 0 0 400.413 4.199 20 30 HIEDRN N#Cc1cccc(NCC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)c1 ZINC000426458426 856300783 /nfs/dbraw/zinc/30/07/83/856300783.db2.gz IMWVGZQEQOXKRH-SFHVURJKSA-N 0 0 406.486 4.427 20 30 HIEDRN CO[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1 ZINC000426461071 856302696 /nfs/dbraw/zinc/30/26/96/856302696.db2.gz QNCCFCXQUGONDU-XZOQPEGZSA-N 0 0 402.450 4.040 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1cccc2[nH]ccc21 ZINC000426491802 856318465 /nfs/dbraw/zinc/31/84/65/856318465.db2.gz KGAWXTIJTGDZNH-OAHLLOKOSA-N 0 0 406.511 4.017 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1Oc1ccccc1 ZINC000426511281 856327557 /nfs/dbraw/zinc/32/75/57/856327557.db2.gz RDHAQLAYSSFJBI-SFTDATJTSA-N 0 0 415.424 4.100 20 30 HIEDRN Cc1nsc(C)c1-c1noc(C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000426598060 856366040 /nfs/dbraw/zinc/36/60/40/856366040.db2.gz HOUCOJYQJKHHLF-UHFFFAOYSA-N 0 0 422.470 4.314 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000426670154 856404470 /nfs/dbraw/zinc/40/44/70/856404470.db2.gz CWLMGSDVTZQASV-MJGOQNOKSA-N 0 0 407.424 4.117 20 30 HIEDRN N#CCCn1cc(C[NH2+]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(-c2ccccc2)n1 ZINC000426678379 856408472 /nfs/dbraw/zinc/40/84/72/856408472.db2.gz QCWMJYMORDSJLW-IBGZPJMESA-N 0 0 422.916 4.150 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000426709255 856426347 /nfs/dbraw/zinc/42/63/47/856426347.db2.gz BTAZTOMZEYBNGW-UHFFFAOYSA-N 0 0 411.889 4.130 20 30 HIEDRN C=CCOc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1Cl ZINC000426723092 856435893 /nfs/dbraw/zinc/43/58/93/856435893.db2.gz XSUWGVXFWPZHRN-KRWDZBQOSA-N 0 0 424.722 4.453 20 30 HIEDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CNc3cccc(C#N)c3)s2)cc1 ZINC000426736041 856443222 /nfs/dbraw/zinc/44/32/22/856443222.db2.gz HTOYPJKILOWUOK-AWEZNQCLSA-N 0 0 406.511 4.288 20 30 HIEDRN COc1ccccc1[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000426769582 856467750 /nfs/dbraw/zinc/46/77/50/856467750.db2.gz KBIALCNHSZYQIK-QHCPKHFHSA-N 0 0 402.450 4.061 20 30 HIEDRN COc1ccccc1[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000426786205 856476754 /nfs/dbraw/zinc/47/67/54/856476754.db2.gz UHFNAAFHCUPMKS-HSZRJFAPSA-N 0 0 402.450 4.061 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000426823266 856498704 /nfs/dbraw/zinc/49/87/04/856498704.db2.gz BSXRLXGWHUFLEW-UHFFFAOYSA-N 0 0 412.434 4.261 20 30 HIEDRN COc1cc(C#N)ccc1OCCN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426873712 856522400 /nfs/dbraw/zinc/52/24/00/856522400.db2.gz DAZFUGLJUPEXLW-QFIPXVFZSA-N 0 0 408.889 4.110 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O)c1ccccc1 ZINC000426893950 856530079 /nfs/dbraw/zinc/53/00/79/856530079.db2.gz LQDGWTMKLXCZKV-FGZHOGPDSA-N 0 0 423.557 4.244 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000426949954 856558842 /nfs/dbraw/zinc/55/88/42/856558842.db2.gz ZNIKJSRSURDDRP-WBVHZDCISA-N 0 0 408.926 4.087 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)c3cc4ccccc4n3CC(F)(F)F)CCO2)c1 ZINC000426973378 856571774 /nfs/dbraw/zinc/57/17/74/856571774.db2.gz JXOICADWQPMOCF-HXUWFJFHSA-N 0 0 413.399 4.289 20 30 HIEDRN C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)c1nccs1 ZINC000426972210 856572280 /nfs/dbraw/zinc/57/22/80/856572280.db2.gz FIRLTICKEVMSEX-HNNXBMFYSA-N 0 0 420.494 4.008 20 30 HIEDRN N#C[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000426994807 856585632 /nfs/dbraw/zinc/58/56/32/856585632.db2.gz KDMVHSDZIPNRBS-GJZGRUSLSA-N 0 0 417.214 4.297 20 30 HIEDRN N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000426999203 856587476 /nfs/dbraw/zinc/58/74/76/856587476.db2.gz IWQGRMCDBAZVAF-OAQYLSRUSA-N 0 0 419.916 4.055 20 30 HIEDRN COc1cc(N[C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)cc(OC)c1 ZINC000426999435 856588348 /nfs/dbraw/zinc/58/83/48/856588348.db2.gz KMJHKTYCFUGGIC-KRWDZBQOSA-N 0 0 411.527 4.036 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000427005015 856590120 /nfs/dbraw/zinc/59/01/20/856590120.db2.gz NNAFGIQOQCXALH-CVEARBPZSA-N 0 0 416.321 4.009 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000427008063 856593182 /nfs/dbraw/zinc/59/31/82/856593182.db2.gz LOPNXVUBIUDISU-UHFFFAOYSA-N 0 0 401.466 4.336 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)cc2)ccn1 ZINC000427027455 856602246 /nfs/dbraw/zinc/60/22/46/856602246.db2.gz NXLFENSAJAWKDU-YADHBBJMSA-N 0 0 418.497 4.113 20 30 HIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000427079627 856624528 /nfs/dbraw/zinc/62/45/28/856624528.db2.gz YWGVZVLCEPQGRL-UHFFFAOYSA-N 0 0 402.388 4.100 20 30 HIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000427153248 856673237 /nfs/dbraw/zinc/67/32/37/856673237.db2.gz QAVSBRPKTZSGSO-OAQYLSRUSA-N 0 0 404.510 4.416 20 30 HIEDRN C=CCC[C@H](C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427153460 856673405 /nfs/dbraw/zinc/67/34/05/856673405.db2.gz RJAMEIWWUDHGDK-DVECYGJZSA-N 0 0 408.542 4.396 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C ZINC000437466820 862828898 /nfs/dbraw/zinc/82/88/98/862828898.db2.gz LFRBMDRTIFRPSX-LIRRHRJNSA-N 0 0 422.451 4.121 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CC(C)(C)Oc3ccccc32)nnc1-c1ccco1 ZINC000427272320 856746667 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C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427457946 856828843 /nfs/dbraw/zinc/82/88/43/856828843.db2.gz WITCEBNWUNQZGB-VFNWGFHPSA-N 0 0 406.873 4.017 20 30 HIEDRN C=CCc1cc(CNC(=O)c2cnn(CC)c2-c2ccccc2)cc(OC)c1OC ZINC000427468892 856834126 /nfs/dbraw/zinc/83/41/26/856834126.db2.gz HRXXFOFBWBJBSS-UHFFFAOYSA-N 0 0 405.498 4.246 20 30 HIEDRN CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1 ZINC000437483290 862842451 /nfs/dbraw/zinc/84/24/51/862842451.db2.gz GIBOXTITCLNNCB-UHFFFAOYSA-N 0 0 403.413 4.378 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000427567991 856869491 /nfs/dbraw/zinc/86/94/91/856869491.db2.gz BVCQDRCVBHTLGU-NRFANRHFSA-N 0 0 406.473 4.154 20 30 HIEDRN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nc2n(c1C#N)CCS2 ZINC000427666346 856900596 /nfs/dbraw/zinc/90/05/96/856900596.db2.gz RGQDJQKOQNGEBY-JTQLQIEISA-N 0 0 415.931 4.181 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000427668391 856901699 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UZBDTWVUZKSWHO-UHFFFAOYSA-N 0 0 419.488 4.393 20 30 HIEDRN Cc1c(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000431175229 858487011 /nfs/dbraw/zinc/48/70/11/858487011.db2.gz LTFRKUSWNRJXOH-UHFFFAOYSA-N 0 0 400.232 4.208 20 30 HIEDRN CCOC(=O)c1csc(N(C(=O)c2cc(C#N)cs2)c2ccc(OC)cc2)n1 ZINC000437694704 863031575 /nfs/dbraw/zinc/03/15/75/863031575.db2.gz BHMZCPXJTXCFNF-UHFFFAOYSA-N 0 0 413.480 4.240 20 30 HIEDRN COc1cc(C#N)cc(Br)c1OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000431237603 858523034 /nfs/dbraw/zinc/52/30/34/858523034.db2.gz QUALNFLWXKDPDE-UHFFFAOYSA-N 0 0 419.666 4.142 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1 ZINC000431262905 858538413 /nfs/dbraw/zinc/53/84/13/858538413.db2.gz YNMZBSYMMJFKIR-XHNVNVPESA-N 0 0 420.509 4.458 20 30 HIEDRN Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000431291489 858549026 /nfs/dbraw/zinc/54/90/26/858549026.db2.gz DZXOSKYPPSOUPZ-FGZHOGPDSA-N 0 0 407.514 4.397 20 30 HIEDRN C=CCCC[C@H](C)N1C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000431299428 858553110 /nfs/dbraw/zinc/55/31/10/858553110.db2.gz MZOVGOSCPYACOR-LRDDRELGSA-N 0 0 404.308 4.138 20 30 HIEDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000431319049 858561818 /nfs/dbraw/zinc/56/18/18/858561818.db2.gz NQLNLXKIBGTCDQ-LAUBAEHRSA-N 0 0 413.543 4.276 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000431330555 858568416 /nfs/dbraw/zinc/56/84/16/858568416.db2.gz WMPBXTUYXQDUHL-KRWDZBQOSA-N 0 0 418.522 4.276 20 30 HIEDRN Cc1cccc([C@H]2NC(=O)N(C3CCC(Oc4ccccc4C#N)CC3)C2=O)c1C ZINC000431341057 858572569 /nfs/dbraw/zinc/57/25/69/858572569.db2.gz YTLHTWCTOUOYOW-OBFZPWGMSA-N 0 0 403.482 4.158 20 30 HIEDRN CC[C@H](c1ccccc1)N1CC(=O)N([C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O ZINC000431380466 858586521 /nfs/dbraw/zinc/58/65/21/858586521.db2.gz WXJMCQLLCXYNID-TZIWHRDSSA-N 0 0 420.488 4.082 20 30 HIEDRN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000431387989 858590646 /nfs/dbraw/zinc/59/06/46/858590646.db2.gz UBWXZTGYLVQIGN-JLTOFOAXSA-N 0 0 411.502 4.210 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccc3oc(COC)nc3c2)cc1 ZINC000431407038 858599739 /nfs/dbraw/zinc/59/97/39/858599739.db2.gz NEWFBBRGIPUZCA-UHFFFAOYSA-N 0 0 420.469 4.432 20 30 HIEDRN CN1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000431473148 858633004 /nfs/dbraw/zinc/63/30/04/858633004.db2.gz UBUSOCZOICCLKJ-FKBYEOEOSA-N 0 0 412.484 4.444 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)Cc1ccccc1Br)c1ccccc1 ZINC000431618946 858693339 /nfs/dbraw/zinc/69/33/39/858693339.db2.gz RGZXOWJVPZYQCE-GOSISDBHSA-N 0 0 407.333 4.304 20 30 HIEDRN Cc1cccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1Br ZINC000431626117 858697159 /nfs/dbraw/zinc/69/71/59/858697159.db2.gz SXASEOFQZJDJBA-INIZCTEOSA-N 0 0 407.333 4.471 20 30 HIEDRN N#CCCC[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccccc1 ZINC000431634108 858702849 /nfs/dbraw/zinc/70/28/49/858702849.db2.gz MBBHXCNCVDGDMS-SFHVURJKSA-N 0 0 418.316 4.034 20 30 HIEDRN Cc1cc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1Br ZINC000431646433 858709979 /nfs/dbraw/zinc/70/99/79/858709979.db2.gz WRTQSSUHDRYPGD-SFHVURJKSA-N 0 0 407.333 4.471 20 30 HIEDRN COc1ccc([C@@H]2NC(=O)N(Cc3ccc(-c4ccccc4C#N)cc3)C2=O)cc1F ZINC000431705296 858752412 /nfs/dbraw/zinc/75/24/12/858752412.db2.gz PNTCRJRYPFOESE-QFIPXVFZSA-N 0 0 415.424 4.166 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)CC2)c1 ZINC000431735865 858774504 /nfs/dbraw/zinc/77/45/04/858774504.db2.gz LVJPYHRUBJDDTI-LJQANCHMSA-N 0 0 424.932 4.043 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2cnn(Cc3ccccc3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431738839 858777540 /nfs/dbraw/zinc/77/75/40/858777540.db2.gz XJUNKFHUERGKRH-WMZHIEFXSA-N 0 0 414.509 4.054 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000431837573 858834569 /nfs/dbraw/zinc/83/45/69/858834569.db2.gz XEACDEAUMXPATI-UHFFFAOYSA-N 0 0 409.442 4.059 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000431866669 858846650 /nfs/dbraw/zinc/84/66/50/858846650.db2.gz HKZOYEUNRHACDA-IAGOWNOFSA-N 0 0 405.498 4.287 20 30 HIEDRN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)cc1 ZINC000431869713 858847476 /nfs/dbraw/zinc/84/74/76/858847476.db2.gz GISRAHSPJPCNSY-UHFFFAOYSA-N 0 0 405.479 4.228 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000431868638 858847502 /nfs/dbraw/zinc/84/75/02/858847502.db2.gz NXLRVANPGMGLDA-HYCNBMAASA-N 0 0 421.500 4.219 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)NCc2cccc3c2OCCCO3)c1 ZINC000431888827 858856942 /nfs/dbraw/zinc/85/69/42/858856942.db2.gz DQMJNJGNOBJEGA-UHFFFAOYSA-N 0 0 414.461 4.229 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)NCc3ccn(C4CCCC4)n3)c2)c1 ZINC000431893574 858859555 /nfs/dbraw/zinc/85/95/55/858859555.db2.gz GXHOFTGYEXORBG-UHFFFAOYSA-N 0 0 400.482 4.379 20 30 HIEDRN N#CCCC[C@H](NC(=O)NC[C@@H]1CSCCN1Cc1ccccc1)c1ccccc1 ZINC000431917217 858869237 /nfs/dbraw/zinc/86/92/37/858869237.db2.gz UTCMXUJBBNSURY-PKTZIBPZSA-N 0 0 422.598 4.338 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2C[C@H](OCc3ccccc3)C2(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431953700 858885092 /nfs/dbraw/zinc/88/50/92/858885092.db2.gz VCUMACGPFNGAQX-ZRBLBEILSA-N 0 0 418.537 4.432 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000431967628 858892308 /nfs/dbraw/zinc/89/23/08/858892308.db2.gz UUNRCNMMYNDFAY-QFIPXVFZSA-N 0 0 401.441 4.045 20 30 HIEDRN C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000431967862 858893170 /nfs/dbraw/zinc/89/31/70/858893170.db2.gz WDQQNMUPNGNYHB-SBUREZEXSA-N 0 0 407.470 4.152 20 30 HIEDRN Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)Nc3cccc(C#N)c3C)cc2)cs1 ZINC000431974673 858896979 /nfs/dbraw/zinc/89/69/79/858896979.db2.gz SJXQIGYCTLEEHG-AWEZNQCLSA-N 0 0 404.495 4.115 20 30 HIEDRN C[C@H]1OCC[C@H]1N(CCO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000431982158 858902184 /nfs/dbraw/zinc/90/21/84/858902184.db2.gz PHZXSFODUGWCMI-AUUYWEPGSA-N 0 0 415.877 4.008 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000431985989 858905640 /nfs/dbraw/zinc/90/56/40/858905640.db2.gz KXMRLYYQKHZMIR-UHFFFAOYSA-N 0 0 415.497 4.412 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432027071 858936654 /nfs/dbraw/zinc/93/66/54/858936654.db2.gz PTBXNOINFMYWQF-NRFANRHFSA-N 0 0 421.451 4.188 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000432064047 858962515 /nfs/dbraw/zinc/96/25/15/858962515.db2.gz PODQATVZMBMNJQ-QGZVFWFLSA-N 0 0 410.392 4.395 20 30 HIEDRN C=CCC(C)(C)CNC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000432084759 858977788 /nfs/dbraw/zinc/97/77/88/858977788.db2.gz JNDSFZKXJRVGHV-UHFFFAOYSA-N 0 0 403.530 4.395 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc3c(c2)COC3)cc1C ZINC000432092486 858984088 /nfs/dbraw/zinc/98/40/88/858984088.db2.gz IFCHWNZFKXPNRK-UHFFFAOYSA-N 0 0 400.482 4.041 20 30 HIEDRN N#Cc1cc(NC2(Cc3ccc(F)cc3)CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000432153648 859018976 /nfs/dbraw/zinc/01/89/76/859018976.db2.gz FAHUMOZLJWCDNS-UHFFFAOYSA-N 0 0 406.417 4.358 20 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ZINC000432323063 859103046 /nfs/dbraw/zinc/10/30/46/859103046.db2.gz DEBGYLHTHLEGRU-HXUWFJFHSA-N 0 0 419.525 4.253 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(-c2ccc(C)nn2)n1 ZINC000432324702 859103283 /nfs/dbraw/zinc/10/32/83/859103283.db2.gz XBYJTFJRSFPAOH-UHFFFAOYSA-N 0 0 410.437 4.195 20 30 HIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000432400579 859145417 /nfs/dbraw/zinc/14/54/17/859145417.db2.gz JWUREPJIWCMDQG-CALCHBBNSA-N 0 0 418.541 4.303 20 30 HIEDRN C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000432404634 859147457 /nfs/dbraw/zinc/14/74/57/859147457.db2.gz TYEUKOPTUYFUOU-KRWDZBQOSA-N 0 0 412.493 4.368 20 30 HIEDRN C=CCOc1c(Br)cc(CNc2ccc(C3CC3)nn2)cc1OCC ZINC000432427930 859160164 /nfs/dbraw/zinc/16/01/64/859160164.db2.gz GSFBYNQKZVURGR-UHFFFAOYSA-N 0 0 404.308 4.692 20 30 HIEDRN CC(C)(C)OC(=O)c1ccc(Br)c(NC(=O)NCC2(CC#N)CC2)c1 ZINC000432430273 859161898 /nfs/dbraw/zinc/16/18/98/859161898.db2.gz RNGWMENIEVWWPC-UHFFFAOYSA-N 0 0 408.296 4.220 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)n2)c(F)c1 ZINC000432431651 859162908 /nfs/dbraw/zinc/16/29/08/859162908.db2.gz DDLKXAGJDFYHTL-UHFFFAOYSA-N 0 0 421.863 4.858 20 30 HIEDRN CC(C)[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000432470895 859180197 /nfs/dbraw/zinc/18/01/97/859180197.db2.gz VNRPFHJOEAHEQS-QFIPXVFZSA-N 0 0 403.486 4.057 20 30 HIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432472653 859181223 /nfs/dbraw/zinc/18/12/23/859181223.db2.gz OZZQYHULIQVZHF-FQEVSTJZSA-N 0 0 419.447 4.452 20 30 HIEDRN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000432507167 859199299 /nfs/dbraw/zinc/19/92/99/859199299.db2.gz QJIHPUJIZSJTQW-FQEVSTJZSA-N 0 0 406.877 4.099 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)CC2)c1 ZINC000432513589 859202518 /nfs/dbraw/zinc/20/25/18/859202518.db2.gz BUPWJRYISZMWKP-XYWHTSSQSA-N 0 0 420.488 4.004 20 30 HIEDRN C=C(C)Cn1c(SCc2ncc(Br)s2)nnc1-c1ccncc1 ZINC000432534701 859214069 /nfs/dbraw/zinc/21/40/69/859214069.db2.gz HDSDGWQYWPRTOY-UHFFFAOYSA-N 0 0 408.350 4.428 20 30 HIEDRN CCc1ccc(-c2csc(NC(=O)Cn3cc(C#N)c(=O)c4ccccc43)n2)cc1 ZINC000432536049 859214962 /nfs/dbraw/zinc/21/49/62/859214962.db2.gz OOZOMXRVENIHBW-UHFFFAOYSA-N 0 0 414.490 4.198 20 30 HIEDRN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@@H]3CCS(=O)(=O)C3)n2)o1 ZINC000432539259 859215662 /nfs/dbraw/zinc/21/56/62/859215662.db2.gz AQPZDHXBWLKYPF-NSHDSACASA-N 0 0 416.446 4.067 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N(CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000432568306 859231247 /nfs/dbraw/zinc/23/12/47/859231247.db2.gz SOXWCSBHMFIYFL-UHFFFAOYSA-N 0 0 400.350 4.243 20 30 HIEDRN CC(C)(C)c1ccc(OCCNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000432574917 859234406 /nfs/dbraw/zinc/23/44/06/859234406.db2.gz RMLMYFLOVNOTCN-UHFFFAOYSA-N 0 0 407.514 4.160 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000432573894 859234553 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CCn1c(SCC(=O)N2CCCC(C)(C)[C@@H]2C#N)nnc1-c1ccc(Cl)cc1 ZINC000434023283 860046775 /nfs/dbraw/zinc/04/67/75/860046775.db2.gz UFKZLVABOZBQTC-INIZCTEOSA-N 0 0 417.966 4.251 20 30 HIEDRN CC1(C)CCCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)[C@H]1C#N ZINC000434026978 860048891 /nfs/dbraw/zinc/04/88/91/860048891.db2.gz WLTIGLROAKWPDY-KRWDZBQOSA-N 0 0 409.490 4.289 20 30 HIEDRN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CSCc2ccc(C#N)cc2)n1 ZINC000434028026 860049342 /nfs/dbraw/zinc/04/93/42/860049342.db2.gz PBDJWGLAALVQTG-UHFFFAOYSA-N 0 0 416.550 4.427 20 30 HIEDRN CCc1nc(C(=O)N2CCCC(C)(C)[C@H]2C#N)nn1-c1c(Cl)cccc1Cl ZINC000434029946 860051258 /nfs/dbraw/zinc/05/12/58/860051258.db2.gz FAPPQGVXXPKSII-CQSZACIVSA-N 0 0 406.317 4.291 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)c2)cc1 ZINC000434055767 860068501 /nfs/dbraw/zinc/06/85/01/860068501.db2.gz ZQMGPWMLZLLOGX-QFBILLFUSA-N 0 0 404.388 4.126 20 30 HIEDRN O=C(NCCOCC(F)(F)C(F)F)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000434055223 860068971 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HIEDRN COC(=O)[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(F)cc1 ZINC000434153212 860149373 /nfs/dbraw/zinc/14/93/73/860149373.db2.gz XHLXDMGCBLLODK-RHSMWYFYSA-N 0 0 415.490 4.298 20 30 HIEDRN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000434201981 860188191 /nfs/dbraw/zinc/18/81/91/860188191.db2.gz ZEBNBDGNKVDTTO-ORAYPTAESA-N 0 0 419.403 4.355 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)CC(=O)c2ccco2)cc1C ZINC000434289846 860255889 /nfs/dbraw/zinc/25/58/89/860255889.db2.gz WFADCFGDPMIAAZ-QGZVFWFLSA-N 0 0 404.470 4.065 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000434293436 860257976 /nfs/dbraw/zinc/25/79/76/860257976.db2.gz FCUOHVLCNWJPHZ-HXUWFJFHSA-N 0 0 401.576 4.171 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCCOCC(F)(F)C(F)F)cc1 ZINC000434313087 860274638 /nfs/dbraw/zinc/27/46/38/860274638.db2.gz SJEMYERWNBEFIN-UHFFFAOYSA-N 0 0 412.408 4.356 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c2)cc1 ZINC000434316564 860277451 /nfs/dbraw/zinc/27/74/51/860277451.db2.gz SKIJCDLXGPDVTJ-APWZRJJASA-N 0 0 403.404 4.077 20 30 HIEDRN CCC(=O)c1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000434330942 860293042 /nfs/dbraw/zinc/29/30/42/860293042.db2.gz TZVIZFQSWIWSPZ-UHFFFAOYSA-N 0 0 417.425 4.217 20 30 HIEDRN Cc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n(C2CCOCC2)n1 ZINC000434333894 860296028 /nfs/dbraw/zinc/29/60/28/860296028.db2.gz MDXXRXZCMRARCJ-UHFFFAOYSA-N 0 0 416.481 4.246 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1F ZINC000434414560 860339824 /nfs/dbraw/zinc/33/98/24/860339824.db2.gz YISPDABZAJZVSW-UHFFFAOYSA-N 0 0 401.397 4.017 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000434428439 860346740 /nfs/dbraw/zinc/34/67/40/860346740.db2.gz BMJXLAYUXUNEDB-ICSRJNTNSA-N 0 0 417.431 4.070 20 30 HIEDRN O=C(Nc1ccc(N2CCCCC2)nc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000434433963 860349567 /nfs/dbraw/zinc/34/95/67/860349567.db2.gz WVOMXVDGLGFHTN-UHFFFAOYSA-N 0 0 424.504 4.049 20 30 HIEDRN Cc1ccc(-c2[nH]nc(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2C)o1 ZINC000434436654 860351329 /nfs/dbraw/zinc/35/13/29/860351329.db2.gz JMYVEQIIFRDEQM-UHFFFAOYSA-N 0 0 412.449 4.990 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NC2(Cc3ccccc3)CC2)cc1 ZINC000434544886 860394947 /nfs/dbraw/zinc/39/49/47/860394947.db2.gz PRKAHKSFGYQKRB-UHFFFAOYSA-N 0 0 411.461 4.181 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccnc(Oc4ccc(F)cc4F)c3)nc21 ZINC000434556384 860398622 /nfs/dbraw/zinc/39/86/22/860398622.db2.gz LCUFUIKYDVVRHD-CQSZACIVSA-N 0 0 405.364 4.222 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N2CC[C@H](CC(F)(F)F)C2)ccc1Oc1ccccc1 ZINC000434568336 860406466 /nfs/dbraw/zinc/40/64/66/860406466.db2.gz ZDPGFCUWPUTIOP-CQSZACIVSA-N 0 0 417.387 4.090 20 30 HIEDRN Cn1cc(Br)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000434622186 860435320 /nfs/dbraw/zinc/43/53/20/860435320.db2.gz BLBKQLZRSANIEI-CQSZACIVSA-N 0 0 411.284 4.273 20 30 HIEDRN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(Br)cn3C)n2)cc1 ZINC000434623264 860436458 /nfs/dbraw/zinc/43/64/58/860436458.db2.gz KIJCNHCTCPIQRA-CQSZACIVSA-N 0 0 416.300 4.410 20 30 HIEDRN C=CCn1c(SC[C@@H](O)CCOCC)nc2scc(-c3cccs3)c2c1=O ZINC000434630820 860440340 /nfs/dbraw/zinc/44/03/40/860440340.db2.gz NBUQJONFXYSCLX-ZDUSSCGKSA-N 0 0 422.597 4.252 20 30 HIEDRN Cc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c2ccccc2)cc1 ZINC000434659770 860449099 /nfs/dbraw/zinc/44/90/99/860449099.db2.gz ULOKKJRGGPQWMQ-QFIPXVFZSA-N 0 0 414.509 4.268 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000434681816 860458069 /nfs/dbraw/zinc/45/80/69/860458069.db2.gz SCSSDBQPINAITB-UHFFFAOYSA-N 0 0 421.516 4.284 20 30 HIEDRN C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000434773055 860490026 /nfs/dbraw/zinc/49/00/26/860490026.db2.gz FINHMLOJJRPTGJ-KDURUIRLSA-N 0 0 423.582 4.329 20 30 HIEDRN COc1ccc([C@@H]2CCCCCN2C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000434780004 860493532 /nfs/dbraw/zinc/49/35/32/860493532.db2.gz WVAFRCWZUFZWAI-FQEVSTJZSA-N 0 0 422.529 4.206 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Sc2nnc(-c3ccc(Cl)cc3)o2)C1=O ZINC000434794657 860496893 /nfs/dbraw/zinc/49/68/93/860496893.db2.gz LDJJUGZGITZSMM-ZDUSSCGKSA-N 0 0 402.888 4.221 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000434801588 860499424 /nfs/dbraw/zinc/49/94/24/860499424.db2.gz GYJJHFPKJBFWCT-FQEVSTJZSA-N 0 0 410.493 4.240 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000434831327 860511683 /nfs/dbraw/zinc/51/16/83/860511683.db2.gz NCKINZCWBMPFAV-LBPRGKRZSA-N 0 0 423.300 4.375 20 30 HIEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000434834510 860513699 /nfs/dbraw/zinc/51/36/99/860513699.db2.gz RILYQNSBJVINBT-HXUWFJFHSA-N 0 0 409.873 4.447 20 30 HIEDRN CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000434855093 860523723 /nfs/dbraw/zinc/52/37/23/860523723.db2.gz ZXLCIJXCJZIFSZ-OAHLLOKOSA-N 0 0 412.559 4.431 20 30 HIEDRN COC(=O)[C@H](NCc1cccc(COCc2ccccc2)c1)c1cccc(C#N)c1 ZINC000434857279 860525356 /nfs/dbraw/zinc/52/53/56/860525356.db2.gz HLCRALBDORUDOR-XMMPIXPASA-N 0 0 400.478 4.279 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434878987 860531861 /nfs/dbraw/zinc/53/18/61/860531861.db2.gz GQKNSFVKJLRLJH-ZDUSSCGKSA-N 0 0 404.517 4.228 20 30 HIEDRN COCCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000434903346 860546558 /nfs/dbraw/zinc/54/65/58/860546558.db2.gz IUCOXUODIHBQLQ-AWEZNQCLSA-N 0 0 423.435 4.435 20 30 HIEDRN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434917999 860553277 /nfs/dbraw/zinc/55/32/77/860553277.db2.gz XKCBDDARZXRCER-LJQANCHMSA-N 0 0 424.545 4.356 20 30 HIEDRN N#Cc1cccc(C=Cc2nc3c(cnn3-c3cccc(Br)c3)c(=O)[nH]2)c1 ZINC000434930596 860559215 /nfs/dbraw/zinc/55/92/15/860559215.db2.gz JDRXHBMYDINQFG-BQYQJAHWSA-N 0 0 418.254 4.326 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000434961049 860575475 /nfs/dbraw/zinc/57/54/75/860575475.db2.gz BEZJHJFPUSHOTJ-KRWDZBQOSA-N 0 0 406.530 4.025 20 30 HIEDRN C=CCC[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccccc1 ZINC000434962880 860576294 /nfs/dbraw/zinc/57/62/94/860576294.db2.gz IQDGWEYJRJAPIK-XQBPLPMBSA-N 0 0 408.546 4.202 20 30 HIEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000434990812 860587986 /nfs/dbraw/zinc/58/79/86/860587986.db2.gz JIDIUWCLHVAJTR-NRFANRHFSA-N 0 0 419.510 4.101 20 30 HIEDRN Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000435057160 860619813 /nfs/dbraw/zinc/61/98/13/860619813.db2.gz OIOQYUSHGLOFCG-UXHICEINSA-N 0 0 406.530 4.156 20 30 HIEDRN C=CCOc1ccccc1CN(C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000435058104 860620102 /nfs/dbraw/zinc/62/01/02/860620102.db2.gz SNSULLHJLIOBJY-QFIPXVFZSA-N 0 0 409.482 4.125 20 30 HIEDRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435057227 860620155 /nfs/dbraw/zinc/62/01/55/860620155.db2.gz PCQMZMMWNIVJEW-HXUWFJFHSA-N 0 0 408.546 4.232 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000435067103 860626665 /nfs/dbraw/zinc/62/66/65/860626665.db2.gz PSMXROWIYJVBNG-UHFFFAOYSA-N 0 0 400.866 4.345 20 30 HIEDRN CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1F ZINC000435070853 860627841 /nfs/dbraw/zinc/62/78/41/860627841.db2.gz SZRVCQJGILUUBM-UHFFFAOYSA-N 0 0 418.444 4.147 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000435084228 860634379 /nfs/dbraw/zinc/63/43/79/860634379.db2.gz BNWOLQCPOUUIIH-HNNXBMFYSA-N 0 0 415.559 4.083 20 30 HIEDRN Cc1cc(S(C)(=O)=O)cc(NC(=O)Nc2cccc(OCCCC#N)c2)c1C ZINC000435090681 860638352 /nfs/dbraw/zinc/63/83/52/860638352.db2.gz CTWWHKAULQXAKX-UHFFFAOYSA-N 0 0 401.488 4.034 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1nccn1CCc1ccccc1 ZINC000435116093 860648505 /nfs/dbraw/zinc/64/85/05/860648505.db2.gz MLHRTDQQJWQXNT-UHFFFAOYSA-N 0 0 403.486 4.106 20 30 HIEDRN CC(C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccnc1 ZINC000435146363 860664598 /nfs/dbraw/zinc/66/45/98/860664598.db2.gz YTKBAFIJADWJNM-QGZVFWFLSA-N 0 0 406.408 4.456 20 30 HIEDRN COc1ccc(C#N)cc1CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000435147402 860665039 /nfs/dbraw/zinc/66/50/39/860665039.db2.gz VZWHAFKQXKWERA-QHCPKHFHSA-N 0 0 411.461 4.273 20 30 HIEDRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000435151981 860666979 /nfs/dbraw/zinc/66/69/79/860666979.db2.gz OSLXUTGREGOVMP-SFHVURJKSA-N 0 0 410.417 4.111 20 30 HIEDRN CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435152172 860667008 /nfs/dbraw/zinc/66/70/08/860667008.db2.gz RFJFHPRLWQFYJC-UHFFFAOYSA-N 0 0 407.417 4.300 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccncc3)cc2)cc1C(F)(F)F ZINC000435152984 860667709 /nfs/dbraw/zinc/66/77/09/860667709.db2.gz ZBUSKAXFAHZKKO-UHFFFAOYSA-N 0 0 417.412 4.118 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1C(F)(F)F ZINC000435154963 860668372 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C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(C)c1Br ZINC000435220602 860698402 /nfs/dbraw/zinc/69/84/02/860698402.db2.gz QFODSRBCZLBWJT-UHFFFAOYSA-N 0 0 405.317 4.006 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)cc1C#N ZINC000435290159 860720924 /nfs/dbraw/zinc/72/09/24/860720924.db2.gz JYRFXYGAAUOIRS-OAQYLSRUSA-N 0 0 411.477 4.279 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)cc1C#N ZINC000435290157 860720931 /nfs/dbraw/zinc/72/09/31/860720931.db2.gz JYRFXYGAAUOIRS-NRFANRHFSA-N 0 0 411.477 4.279 20 30 HIEDRN N#Cc1ccc(SCC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)cc1 ZINC000435335087 860745898 /nfs/dbraw/zinc/74/58/98/860745898.db2.gz JMGKLCAGSAEQLY-UHFFFAOYSA-N 0 0 410.930 4.229 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435344842 860750693 /nfs/dbraw/zinc/75/06/93/860750693.db2.gz YDNNIAKDKRMXBR-UHFFFAOYSA-N 0 0 421.566 4.195 20 30 HIEDRN COc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000435354119 860755187 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HIEDRN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000467930504 881804482 /nfs/dbraw/zinc/80/44/82/881804482.db2.gz QOYZQYYTZKRJDE-KRWDZBQOSA-N 0 0 405.498 4.465 20 30 HIEDRN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C#N)ccc1OC ZINC000439378865 864810709 /nfs/dbraw/zinc/81/07/09/864810709.db2.gz OXYBKMAXHZWIRZ-VGOFRKELSA-N 0 0 421.545 4.035 20 30 HIEDRN CC(C)Oc1ncccc1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000439392021 864815965 /nfs/dbraw/zinc/81/59/65/864815965.db2.gz ISGWOOHCVUWMDZ-UHFFFAOYSA-N 0 0 416.437 4.110 20 30 HIEDRN N#CCC[C@@H](NC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000439394018 864817124 /nfs/dbraw/zinc/81/71/24/864817124.db2.gz GZBJJSOSHBCYJH-LEWJYISDSA-N 0 0 421.501 4.154 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CS(=O)(=O)c4ccccc43)c2)cc1 ZINC000439395055 864817575 /nfs/dbraw/zinc/81/75/75/864817575.db2.gz VFPHNBFLDWWWON-FQEVSTJZSA-N 0 0 419.462 4.001 20 30 HIEDRN CC(=O)c1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C ZINC000439396952 864818487 /nfs/dbraw/zinc/81/84/87/864818487.db2.gz ZJOREWIILLFRIM-UHFFFAOYSA-N 0 0 413.433 4.439 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1)c1ccccc1 ZINC000439416914 864824911 /nfs/dbraw/zinc/82/49/11/864824911.db2.gz BQJNONMXGNMMSE-HXUWFJFHSA-N 0 0 409.461 4.247 20 30 HIEDRN Cc1cc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1Oc1cccnc1 ZINC000439421029 864826420 /nfs/dbraw/zinc/82/64/20/864826420.db2.gz IGDHNVXZDXUOHG-NRFANRHFSA-N 0 0 414.465 4.282 20 30 HIEDRN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439425427 864827822 /nfs/dbraw/zinc/82/78/22/864827822.db2.gz RQWDFKFWYVYZKQ-QGZVFWFLSA-N 0 0 414.303 4.166 20 30 HIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 ZINC000439427566 864828432 /nfs/dbraw/zinc/82/84/32/864828432.db2.gz VQBOAHKAHJVWFO-HNNXBMFYSA-N 0 0 407.804 4.041 20 30 HIEDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439432778 864829989 /nfs/dbraw/zinc/82/99/89/864829989.db2.gz VVCHSHXRTUCIOH-FQEVSTJZSA-N 0 0 415.497 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RHFRRHSVJWAVIH-HNNXBMFYSA-N 0 0 422.872 4.427 20 30 HIEDRN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000439555722 864881250 /nfs/dbraw/zinc/88/12/50/864881250.db2.gz GSKBHUONJWEVLE-CYBMUJFWSA-N 0 0 412.902 4.364 20 30 HIEDRN N#Cc1ccc(CNc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(OC(F)F)c1 ZINC000439557848 864883576 /nfs/dbraw/zinc/88/35/76/864883576.db2.gz WEBORAURUXXDMS-UHFFFAOYSA-N 0 0 416.819 4.278 20 30 HIEDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000439562190 864887970 /nfs/dbraw/zinc/88/79/70/864887970.db2.gz QHKSVJRLLDKFMB-UHFFFAOYSA-N 0 0 413.346 4.372 20 30 HIEDRN COc1ccccc1Oc1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc1 ZINC000439586531 864908874 /nfs/dbraw/zinc/90/88/74/864908874.db2.gz ITMXNBNKIWFGII-UHFFFAOYSA-N 0 0 409.486 4.214 20 30 HIEDRN Cc1cccc(Oc2ccc(NC(=O)C(=O)N(CCC#N)Cc3ccccn3)cc2)c1 ZINC000439587555 864911379 /nfs/dbraw/zinc/91/13/79/864911379.db2.gz OXEQSSIQGVCJSH-UHFFFAOYSA-N 0 0 414.465 4.063 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OC2CCCC2)nc1 ZINC000439588963 864911907 /nfs/dbraw/zinc/91/19/07/864911907.db2.gz PECKGIIRWNFZDY-KRWDZBQOSA-N 0 0 408.502 4.159 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)c(OCc2ccccc2)c1 ZINC000439590143 864913376 /nfs/dbraw/zinc/91/33/76/864913376.db2.gz BDGKBVWHVWQSFT-UHFFFAOYSA-N 0 0 407.514 4.301 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)NCc1cccc(-c2ccccn2)c1)c1ccccc1 ZINC000439652892 864979182 /nfs/dbraw/zinc/97/91/82/864979182.db2.gz ITPDQJZLYZYPJA-UHFFFAOYSA-N 0 0 412.493 4.092 20 30 HIEDRN Cc1c(I)cccc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439661587 864990690 /nfs/dbraw/zinc/99/06/90/864990690.db2.gz HQGREHMTKIYBBS-KRWDZBQOSA-N 0 0 404.251 4.375 20 30 HIEDRN Cc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1I ZINC000439666519 864997193 /nfs/dbraw/zinc/99/71/93/864997193.db2.gz HXUVXGADONNFHQ-INIZCTEOSA-N 0 0 404.251 4.375 20 30 HIEDRN N#CCC[C@@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 ZINC000439666666 864997551 /nfs/dbraw/zinc/99/75/51/864997551.db2.gz PHIFOKZHBRTCEC-GOSISDBHSA-N 0 0 411.918 4.174 20 30 HIEDRN N#CCC[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccccc1 ZINC000439668478 865000081 /nfs/dbraw/zinc/00/00/81/865000081.db2.gz MVYUTMBIYDOVHH-QHCPKHFHSA-N 0 0 422.488 4.220 20 30 HIEDRN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N[C@H](CCC#N)c3ccccc3)C2)c1 ZINC000439671231 865003952 /nfs/dbraw/zinc/00/39/52/865003952.db2.gz HEDDGZXBVMXHEM-FYYLOGMGSA-N 0 0 403.526 4.317 20 30 HIEDRN CCCc1c(NC(=O)NCCc2ccccc2OC)cnn1-c1cccc(C#N)c1 ZINC000439671634 865004449 /nfs/dbraw/zinc/00/44/49/865004449.db2.gz HYZDGIMYGDRRJR-UHFFFAOYSA-N 0 0 403.486 4.069 20 30 HIEDRN CCCc1c(NC(=O)N(C)CCN(C)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439671952 865004563 /nfs/dbraw/zinc/00/45/63/865004563.db2.gz KEEGEZZSDYGRLD-UHFFFAOYSA-N 0 0 416.529 4.297 20 30 HIEDRN Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)nnn1-c1ccc(OC(C)C)cc1 ZINC000439674917 865007959 /nfs/dbraw/zinc/00/79/59/865007959.db2.gz RPHYSMIXCMDHPH-NRFANRHFSA-N 0 0 403.486 4.138 20 30 HIEDRN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439676578 865010881 /nfs/dbraw/zinc/01/08/81/865010881.db2.gz XPDBPZIJQAQZGC-SUMWQHHRSA-N 0 0 404.297 4.273 20 30 HIEDRN CCCc1c(NC(=O)N2CCC[C@H](OCC3CC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439679757 865014571 /nfs/dbraw/zinc/01/45/71/865014571.db2.gz XWSJLDKCYBSBCD-FQEVSTJZSA-N 0 0 407.518 4.119 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cnn1-c1cccc(C#N)c1 ZINC000439684180 865020106 /nfs/dbraw/zinc/02/01/06/865020106.db2.gz ABAPPEXYHDDQJR-BWAGFHJFSA-N 0 0 419.529 4.166 20 30 HIEDRN CCCc1c(NC(=O)Nc2ccccc2C[S@@](C)=O)cnn1-c1cccc(C#N)c1 ZINC000439685105 865020983 /nfs/dbraw/zinc/02/09/83/865020983.db2.gz XJIYLTBLWYHQHJ-SSEXGKCCSA-N 0 0 421.526 4.219 20 30 HIEDRN CCCc1c(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439685309 865021766 /nfs/dbraw/zinc/02/17/66/865021766.db2.gz OFTAIYGLQOKDLO-GOSISDBHSA-N 0 0 407.518 4.310 20 30 HIEDRN CCCc1c(NC(=O)N(C)Cc2ccc(OC)c(O)c2)cnn1-c1cccc(C#N)c1 ZINC000439689698 865026775 /nfs/dbraw/zinc/02/67/75/865026775.db2.gz BIVSKIKDDGNZLW-UHFFFAOYSA-N 0 0 419.485 4.075 20 30 HIEDRN CCCc1c(NC(=O)N[C@H](CO)c2ccc(CC)cc2)cnn1-c1cccc(C#N)c1 ZINC000439693151 865029482 /nfs/dbraw/zinc/02/94/82/865029482.db2.gz LKJMNEWLOFMWGN-JOCHJYFZSA-N 0 0 417.513 4.114 20 30 HIEDRN CCCc1c(NC(=O)N(CCC#N)Cc2ccccn2)cnn1-c1cccc(C#N)c1 ZINC000439695465 865030912 /nfs/dbraw/zinc/03/09/12/865030912.db2.gz QGWYDLUDZCYSBY-UHFFFAOYSA-N 0 0 413.485 4.039 20 30 HIEDRN N#Cc1cc(N(C#N)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)ccc1F ZINC000439693736 865031047 /nfs/dbraw/zinc/03/10/47/865031047.db2.gz ASXBURWXOGNFIX-UHFFFAOYSA-N 0 0 406.417 4.055 20 30 HIEDRN CCCc1c(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cnn1-c1cccc(C#N)c1 ZINC000439696865 865033757 /nfs/dbraw/zinc/03/37/57/865033757.db2.gz UPCROVDIQRYMLS-VGOFRKELSA-N 0 0 417.517 4.008 20 30 HIEDRN CC(C)c1nccn1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000467976564 881830627 /nfs/dbraw/zinc/83/06/27/881830627.db2.gz DLMGSFCDMSOCMM-UHFFFAOYSA-N 0 0 412.544 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C=CCN(C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000445511973 869574379 /nfs/dbraw/zinc/57/43/79/869574379.db2.gz AXOSCQJIYRAWCN-OAHLLOKOSA-N 0 0 422.344 4.078 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C#N ZINC000445558787 869615714 /nfs/dbraw/zinc/61/57/14/869615714.db2.gz ARBDYZKUMYFVKV-QGZVFWFLSA-N 0 0 410.886 4.061 20 30 HIEDRN COc1cccc2[nH]cc(CC(=O)Nc3c(C#N)c(SC)nn3-c3ccccc3)c21 ZINC000445558933 869615877 /nfs/dbraw/zinc/61/58/77/869615877.db2.gz QIJZKWSTLMJSRJ-UHFFFAOYSA-N 0 0 417.494 4.137 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1C#N ZINC000445559486 869616417 /nfs/dbraw/zinc/61/64/17/869616417.db2.gz SWSVZOFHVOSZIZ-QGZVFWFLSA-N 0 0 404.495 4.222 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2csc([C@H]3CCCO3)n2)c1C#N ZINC000445564171 869621794 /nfs/dbraw/zinc/62/17/94/869621794.db2.gz NXMWSFNSRWNVEV-OAHLLOKOSA-N 0 0 411.512 4.026 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1C#N ZINC000445564892 869623256 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20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000445621155 869684830 /nfs/dbraw/zinc/68/48/30/869684830.db2.gz RVCCQSGNQLZDAO-QGZVFWFLSA-N 0 0 401.510 4.409 20 30 HIEDRN C=CCN(C(=O)Cc1ccc(C)c(Br)c1)c1nc(C(=O)OCC)cs1 ZINC000445622388 869686732 /nfs/dbraw/zinc/68/67/32/869686732.db2.gz ACINLEOFBYGGJO-UHFFFAOYSA-N 0 0 423.332 4.152 20 30 HIEDRN CC1CCN(C(=O)c2ccc(NC3CCC(Oc4ncccc4C#N)CC3)nc2)CC1 ZINC000445664993 869733504 /nfs/dbraw/zinc/73/35/04/869733504.db2.gz NZGKJEAIORHKPC-UHFFFAOYSA-N 0 0 419.529 4.022 20 30 HIEDRN C=CCOc1ccc(/C=C/c2nc(CC(=O)N(CC)c3ccccc3)no2)cc1OC ZINC000445666885 869734468 /nfs/dbraw/zinc/73/44/68/869734468.db2.gz CQJNEEQFDZISSY-WYMLVPIESA-N 0 0 419.481 4.409 20 30 HIEDRN COc1cc(Cl)ccc1-c1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000445675516 869744090 /nfs/dbraw/zinc/74/40/90/869744090.db2.gz NEYVGHLLUXXDCS-UHFFFAOYSA-N 0 0 417.874 4.143 20 30 HIEDRN N#C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)c1ccc(Br)cc1 ZINC000445689738 869758568 /nfs/dbraw/zinc/75/85/68/869758568.db2.gz KEXMRSQFWABBHF-INIZCTEOSA-N 0 0 412.312 4.491 20 30 HIEDRN C=CCc1cc(-c2nc(CC(=O)N[C@H](CC)c3ccccc3)no2)cc(OC)c1OC ZINC000445724475 869783674 /nfs/dbraw/zinc/78/36/74/869783674.db2.gz NMTOSUJUPKZGPT-LJQANCHMSA-N 0 0 421.497 4.292 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000468394580 882337878 /nfs/dbraw/zinc/33/78/78/882337878.db2.gz HQORFULDLYNSFF-UHFFFAOYSA-N 0 0 407.514 4.130 20 30 HIEDRN FC(F)Oc1cc(OC(F)F)cc(-c2nc(COCC(F)(F)C(F)F)no2)c1 ZINC000445738561 869792187 /nfs/dbraw/zinc/79/21/87/869792187.db2.gz HMIDQBLJKIMBIT-UHFFFAOYSA-N 0 0 422.228 4.356 20 30 HIEDRN C=CCC[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 ZINC000445741814 869794446 /nfs/dbraw/zinc/79/44/46/869794446.db2.gz KVXKRTHPUYVTPY-QFIPXVFZSA-N 0 0 421.522 4.320 20 30 HIEDRN C[C@H](NC(=O)Cc1noc(Cc2ccc(C#N)cc2)n1)c1ccc(Cl)cc1Cl ZINC000445757239 869804405 /nfs/dbraw/zinc/80/44/05/869804405.db2.gz GWNJRUVKRBSJTD-LBPRGKRZSA-N 0 0 415.280 4.259 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000445768843 869812503 /nfs/dbraw/zinc/81/25/03/869812503.db2.gz PVZKAEOTKINGLQ-UHFFFAOYSA-N 0 0 405.395 4.064 20 30 HIEDRN C=CCN(C(=O)N[C@@H](C)c1ccc(C)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000445808679 869833633 /nfs/dbraw/zinc/83/36/33/869833633.db2.gz SPXRMZBYJDNYTC-DLBZAZTESA-N 0 0 408.481 4.130 20 30 HIEDRN N#Cc1cc(F)c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(F)c1 ZINC000445831265 869850559 /nfs/dbraw/zinc/85/05/59/869850559.db2.gz AUMJMYOUPWCGQK-KRWDZBQOSA-N 0 0 407.823 4.196 20 30 HIEDRN N#CCc1ccc(OCc2cccc(N3C(=O)[C@H]4Cc5ccccc5CN4C3=O)c2)cc1 ZINC000445895762 869876173 /nfs/dbraw/zinc/87/61/73/869876173.db2.gz VRDUMCOVZKAJMV-XMMPIXPASA-N 0 0 423.472 4.225 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(C#Cc3ccccn3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000445895587 869876584 /nfs/dbraw/zinc/87/65/84/869876584.db2.gz VAJXWNFGSZDOGQ-XMMPIXPASA-N 0 0 407.473 4.047 20 30 HIEDRN CCOCCOc1cc(C)ccc1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000445915817 869885894 /nfs/dbraw/zinc/88/58/94/869885894.db2.gz LMNYITFCBLXURC-PKTZIBPZSA-N 0 0 421.541 4.392 20 30 HIEDRN N#Cc1cc(F)c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(F)c1 ZINC000445916445 869886062 /nfs/dbraw/zinc/88/60/62/869886062.db2.gz VVLODLNFJXIZIQ-UHFFFAOYSA-N 0 0 424.369 4.333 20 30 HIEDRN COc1cccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)c1 ZINC000445922258 869889628 /nfs/dbraw/zinc/88/96/28/869889628.db2.gz UCJNYPLDGYOZES-UHFFFAOYSA-N 0 0 423.416 4.297 20 30 HIEDRN N#Cc1cc(N2C(=O)N[C@H](C3CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000445927565 869892876 /nfs/dbraw/zinc/89/28/76/869892876.db2.gz YOLDCUHZVFPTPL-QGZVFWFLSA-N 0 0 401.344 4.204 20 30 HIEDRN N#Cc1cc(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccccc1 ZINC000445931321 869894517 /nfs/dbraw/zinc/89/45/17/869894517.db2.gz ASYLUZAEAYRRQK-UHFFFAOYSA-N 0 0 401.397 4.458 20 30 HIEDRN COc1cccc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000445933301 869895129 /nfs/dbraw/zinc/89/51/29/869895129.db2.gz UORZKVRKSFPVET-UHFFFAOYSA-N 0 0 405.385 4.075 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869926720 /nfs/dbraw/zinc/92/67/20/869926720.db2.gz MEFOKYARBVLBSS-UHFFFAOYSA-N 0 0 403.392 4.076 20 30 HIEDRN C=CCOc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)cc1 ZINC000445968349 869938313 /nfs/dbraw/zinc/93/83/13/869938313.db2.gz KSOHSZDDOYJPOZ-IBGZPJMESA-N 0 0 406.486 4.044 20 30 HIEDRN N#Cc1ccc(Oc2ccc(N3C(=O)N[C@@H](Cc4ccccn4)C3=O)cc2Cl)cc1 ZINC000445989886 869953629 /nfs/dbraw/zinc/95/36/29/869953629.db2.gz YUMGFLHKAITCKE-IBGZPJMESA-N 0 0 418.840 4.066 20 30 HIEDRN COc1nc(C)c(Br)cc1-c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 ZINC000446015661 869982968 /nfs/dbraw/zinc/98/29/68/869982968.db2.gz JNNIMVNKFMGUHT-NSHDSACASA-N 0 0 415.247 4.223 20 30 HIEDRN N#CCSc1cccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)c1 ZINC000446015604 869983303 /nfs/dbraw/zinc/98/33/03/869983303.db2.gz IYYAUVKBVJRBMB-UHFFFAOYSA-N 0 0 406.389 4.279 20 30 HIEDRN Cc1cc(-c2nc([C@H]3CSc4ccccc4O3)no2)nn1-c1cccc(C#N)c1 ZINC000446018801 869986446 /nfs/dbraw/zinc/98/64/46/869986446.db2.gz JWSZUFRNTIQIJF-GOSISDBHSA-N 0 0 401.451 4.328 20 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/nfs/dbraw/zinc/08/08/49/870080849.db2.gz CFLTVFLACOMHHE-QGZVFWFLSA-N 0 0 406.486 4.044 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000446135710 870081048 /nfs/dbraw/zinc/08/10/48/870081048.db2.gz IFWOUMDBKJWDHH-UHFFFAOYSA-N 0 0 419.378 4.207 20 30 HIEDRN C=CCN1C(=O)N(c2cc(OC)c(C(C)C)c(OC)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000446168038 870107661 /nfs/dbraw/zinc/10/76/61/870107661.db2.gz NOKYJMMHIJAJLQ-IBGZPJMESA-N 0 0 408.498 4.393 20 30 HIEDRN N#Cc1ccccc1COc1ccc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)cc1 ZINC000446207371 870141335 /nfs/dbraw/zinc/14/13/35/870141335.db2.gz SGPDUEIDUPUREC-IBGZPJMESA-N 0 0 418.415 4.321 20 30 HIEDRN CC(C)OCc1ccc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000446218623 870153148 /nfs/dbraw/zinc/15/31/48/870153148.db2.gz IPAHNBBVQNGDDY-UHFFFAOYSA-N 0 0 408.502 4.390 20 30 HIEDRN N#Cc1cccc(OCc2cccc(C(=O)N(CC(F)(F)F)[C@@H]3CCCOC3)c2)c1 ZINC000446222235 870159202 /nfs/dbraw/zinc/15/92/02/870159202.db2.gz NOVFZCRHSDNTHR-LJQANCHMSA-N 0 0 418.415 4.321 20 30 HIEDRN CC(C)n1ncc2ccc(NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)cc21 ZINC000446223889 870160555 /nfs/dbraw/zinc/16/05/55/870160555.db2.gz BOKADHPQYPLWCJ-UHFFFAOYSA-N 0 0 418.501 4.396 20 30 HIEDRN COc1cnccc1[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000446229123 870166571 /nfs/dbraw/zinc/16/65/71/870166571.db2.gz URCJEEWUMAMRIM-OAHLLOKOSA-N 0 0 415.453 4.097 20 30 HIEDRN C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000468439664 882381060 /nfs/dbraw/zinc/38/10/60/882381060.db2.gz RUHPAQWJKUKFEP-AWEZNQCLSA-N 0 0 406.486 4.479 20 30 HIEDRN CC[C@H](NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H](O)C(F)(F)F ZINC000446356635 870266821 /nfs/dbraw/zinc/26/68/21/870266821.db2.gz CACQJHCPPXDEIH-DCAQKATOSA-N 0 0 410.717 4.084 20 30 HIEDRN C=CCN(C(=O)Nc1cc(C)c(OC)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000446359483 870269541 /nfs/dbraw/zinc/26/95/41/870269541.db2.gz IZFYXHLINYZVPY-QGZVFWFLSA-N 0 0 406.490 4.069 20 30 HIEDRN CCCc1c(NC(=O)N(CCC#N)Cc2ccccn2)cnn1-c1cccc(C)c1 ZINC000446403637 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402.542 4.260 20 30 HIEDRN CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccc1 ZINC000460450416 873122564 /nfs/dbraw/zinc/12/25/64/873122564.db2.gz RYARCIZOVLCGGR-QFIPXVFZSA-N 0 0 401.514 4.065 20 30 HIEDRN C[C@@H]1Sc2ccc(C(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)cc2NC1=O ZINC000460464261 873147176 /nfs/dbraw/zinc/14/71/76/873147176.db2.gz DFUGFMZJDLDSFQ-NSDYXAQKSA-N 0 0 409.555 4.444 20 30 HIEDRN Cc1cc2nc(C)c(CCC(=O)N(CCC#N)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 ZINC000460463981 873147185 /nfs/dbraw/zinc/14/71/85/873147185.db2.gz ZWQVMEMABLVTLN-UHFFFAOYSA-N 0 0 419.573 4.298 20 30 HIEDRN N#CCCN(C(=O)c1ccc(CN2CCCC2=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000460468342 873151670 /nfs/dbraw/zinc/15/16/70/873151670.db2.gz RJPHPJQNMSAKEV-UHFFFAOYSA-N 0 0 405.542 4.134 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)NCCc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000460495994 873181764 /nfs/dbraw/zinc/18/17/64/873181764.db2.gz PQBFWKSBZBJYBK-UHFFFAOYSA-N 0 0 401.422 4.018 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CCCC[C@H](SC)C1 ZINC000460541738 873240501 /nfs/dbraw/zinc/24/05/01/873240501.db2.gz GKIWLWXIPRGQMQ-INIZCTEOSA-N 0 0 402.564 4.260 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCO[C@H](C)C1 ZINC000460543384 873245404 /nfs/dbraw/zinc/24/54/04/873245404.db2.gz BIMVQYYNARXUAX-QZTJIDSGSA-N 0 0 400.523 4.008 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCCO[C@@H](C)C1 ZINC000460543386 873245887 /nfs/dbraw/zinc/24/58/87/873245887.db2.gz BIMVQYYNARXUAX-ZWKOTPCHSA-N 0 0 400.523 4.008 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCCN(c2nccs2)CC1 ZINC000460542995 873245938 /nfs/dbraw/zinc/24/59/38/873245938.db2.gz LRNPGRQASWJEJD-UHFFFAOYSA-N 0 0 400.577 4.064 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCC(C)CC1 ZINC000460544369 873247895 /nfs/dbraw/zinc/24/78/95/873247895.db2.gz DZPFMTPEHLLQMD-UHFFFAOYSA-N 0 0 409.582 4.043 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N(C)[C@@H]1CCOC1 ZINC000460546499 873249378 /nfs/dbraw/zinc/24/93/78/873249378.db2.gz VCPTXSCNFLYBDG-HXUWFJFHSA-N 0 0 404.514 4.325 20 30 HIEDRN C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000460548899 873256675 /nfs/dbraw/zinc/25/66/75/873256675.db2.gz UJFPMPIOKDNZDT-IBGZPJMESA-N 0 0 405.502 4.275 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC000460549672 873256968 /nfs/dbraw/zinc/25/69/68/873256968.db2.gz GKIPBHADICYVOI-FQEVSTJZSA-N 0 0 415.501 4.251 20 30 HIEDRN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCc2c(cccc2OC)C1 ZINC000460551595 873261078 /nfs/dbraw/zinc/26/10/78/873261078.db2.gz YKQOGHNLTWWMSI-UHFFFAOYSA-N 0 0 413.525 4.498 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC000460550686 873261419 /nfs/dbraw/zinc/26/14/19/873261419.db2.gz XHWLUQPCOWDSKF-MRXNPFEDSA-N 0 0 400.477 4.191 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC000460552461 873264037 /nfs/dbraw/zinc/26/40/37/873264037.db2.gz GRAFYUNLUYSBIQ-UHFFFAOYSA-N 0 0 412.541 4.418 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000460554093 873268463 /nfs/dbraw/zinc/26/84/63/873268463.db2.gz CHKIRTUPLHQBOY-IBGZPJMESA-N 0 0 400.954 4.471 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CCO)Cc1ccccc1 ZINC000460554964 873271064 /nfs/dbraw/zinc/27/10/64/873271064.db2.gz OZVTYSREMBTYKT-GOSISDBHSA-N 0 0 410.493 4.132 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)c2ccccc21 ZINC000460555653 873272601 /nfs/dbraw/zinc/27/26/01/873272601.db2.gz GCPWKZMXMGSIFJ-SFHVURJKSA-N 0 0 415.545 4.283 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)Cc1ccccc1C ZINC000460558821 873281014 /nfs/dbraw/zinc/28/10/14/873281014.db2.gz KNRSJZNTAPWTNN-GOSISDBHSA-N 0 0 423.586 4.222 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCN(C)c2ccccc2C1 ZINC000460559514 873282749 /nfs/dbraw/zinc/28/27/49/873282749.db2.gz MQCXPKDJECRCEJ-FPOVZHCZSA-N 0 0 409.578 4.229 20 30 HIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC000460560803 873285630 /nfs/dbraw/zinc/28/56/30/873285630.db2.gz DCGJOOUFUQUTFR-NHCUHLMSSA-N 0 0 404.518 4.059 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)c1ccc(C)cc1 ZINC000460560479 873286900 /nfs/dbraw/zinc/28/69/00/873286900.db2.gz UROLYKGGIUGJGZ-KRWDZBQOSA-N 0 0 409.559 4.352 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)Nc1c(C)cccc1C ZINC000460562878 873292452 /nfs/dbraw/zinc/29/24/52/873292452.db2.gz ZZCMKXJOJVIKRR-UHFFFAOYSA-N 0 0 421.520 4.276 20 30 HIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000460563645 873292715 /nfs/dbraw/zinc/29/27/15/873292715.db2.gz JXVORDFRQDPFDV-YQVWRLOYSA-N 0 0 402.564 4.199 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(-c3ccccc3)ccc21 ZINC000460564455 873295038 /nfs/dbraw/zinc/29/50/38/873295038.db2.gz FLRXEYYCAWQAFJ-UHFFFAOYSA-N 0 0 413.525 4.451 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(C)C)CC1 ZINC000460566887 873300029 /nfs/dbraw/zinc/30/00/29/873300029.db2.gz MLZDLGJVEICCCN-GOSISDBHSA-N 0 0 416.591 4.187 20 30 HIEDRN C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000460569607 873301839 /nfs/dbraw/zinc/30/18/39/873301839.db2.gz CSEAKTHGNONBRN-OAHLLOKOSA-N 0 0 417.351 4.289 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000460568891 873302061 /nfs/dbraw/zinc/30/20/61/873302061.db2.gz ZUAISGYADLPUPX-UHFFFAOYSA-N 0 0 407.449 4.055 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000460569258 873302632 /nfs/dbraw/zinc/30/26/32/873302632.db2.gz BJXUNCCUUHOXEG-UZLBHIALSA-N 0 0 414.456 4.322 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000460571447 873305362 /nfs/dbraw/zinc/30/53/62/873305362.db2.gz HRRLCEYSTNUJPI-UHFFFAOYSA-N 0 0 409.578 4.315 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N(CCOC)Cc1scnc1C ZINC000460575991 873311317 /nfs/dbraw/zinc/31/13/17/873311317.db2.gz HSIFPQHPNYYWIO-UHFFFAOYSA-N 0 0 403.577 4.309 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1Cc2cc(Br)ccc2C[C@H]1C ZINC000460575972 873311476 /nfs/dbraw/zinc/31/14/76/873311476.db2.gz HPXGFPWYJMYKRD-RDTXWAMCSA-N 0 0 417.351 4.419 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC2(CCOCC2)[C@@H]1C ZINC000460576833 873312264 /nfs/dbraw/zinc/31/22/64/873312264.db2.gz QDRHTAYKFNHAPE-SFHVURJKSA-N 0 0 403.530 4.465 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)Nc1c(C)cccc1F ZINC000460580152 873315139 /nfs/dbraw/zinc/31/51/39/873315139.db2.gz FGMARXXSHHWRRZ-UHFFFAOYSA-N 0 0 423.257 4.189 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCc2ccc(OC)cc2C1 ZINC000460579909 873315692 /nfs/dbraw/zinc/31/56/92/873315692.db2.gz VMQHLGZFFIJMGD-UHFFFAOYSA-N 0 0 413.525 4.429 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C1CCCC1 ZINC000460588999 873327561 /nfs/dbraw/zinc/32/75/61/873327561.db2.gz YXKKAEYEYCBZQW-UHFFFAOYSA-N 0 0 411.525 4.179 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@](CO)(c2ccccc2)C1 ZINC000460589301 873327920 /nfs/dbraw/zinc/32/79/20/873327920.db2.gz ZYWHKJPDVUXIDI-VWLOTQADSA-N 0 0 420.532 4.115 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccsc2)n1CC(C)C ZINC000460603591 873346095 /nfs/dbraw/zinc/34/60/95/873346095.db2.gz WINMNYLLPBCBPY-UHFFFAOYSA-N 0 0 409.559 4.111 20 30 HIEDRN CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC000460627593 873369606 /nfs/dbraw/zinc/36/96/06/873369606.db2.gz GTLFVSFKKAARSF-UHFFFAOYSA-N 0 0 423.467 4.226 20 30 HIEDRN CC(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)[C@H](C)CC#N ZINC000460636415 873377011 /nfs/dbraw/zinc/37/70/11/873377011.db2.gz OGUZZWLTAFCPKM-CQSZACIVSA-N 0 0 406.328 4.014 20 30 HIEDRN C=CCc1cc(C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)cc(OC)c1OC ZINC000460648274 873389765 /nfs/dbraw/zinc/38/97/65/873389765.db2.gz KGJPXJUUMHZXFN-UHFFFAOYSA-N 0 0 410.514 4.150 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000460654515 873395003 /nfs/dbraw/zinc/39/50/03/873395003.db2.gz LGUCTBPAJKWOMV-FQEVSTJZSA-N 0 0 405.889 4.232 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460671126 873416958 /nfs/dbraw/zinc/41/69/58/873416958.db2.gz CXFCDYPAWWQHLP-JOCHJYFZSA-N 0 0 415.880 4.126 20 30 HIEDRN CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000460682876 873433221 /nfs/dbraw/zinc/43/32/21/873433221.db2.gz DXMCADOCDBTBLU-NYVOZVTQSA-N 0 0 423.561 4.170 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC000460685380 873438086 /nfs/dbraw/zinc/43/80/86/873438086.db2.gz BXUKQNNEMVBCOD-KRWDZBQOSA-N 0 0 405.502 4.146 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000460712939 873500976 /nfs/dbraw/zinc/50/09/76/873500976.db2.gz FHIYYCNSQWNDNT-YJBOKZPZSA-N 0 0 421.467 4.411 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC000460726725 873533220 /nfs/dbraw/zinc/53/32/20/873533220.db2.gz IUKYJGMRUOGIKH-QGZVFWFLSA-N 0 0 405.502 4.146 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1Cc2ccccc2C2(CC2)C1 ZINC000460731723 873545748 /nfs/dbraw/zinc/54/57/48/873545748.db2.gz YWWKUCGXLHIFRT-UHFFFAOYSA-N 0 0 413.525 4.295 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000460761066 873602513 /nfs/dbraw/zinc/60/25/13/873602513.db2.gz VWRVLQHUVKCBKV-UHFFFAOYSA-N 0 0 424.386 4.733 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000460767530 873611241 /nfs/dbraw/zinc/61/12/41/873611241.db2.gz FUYSSIUKQIHMDH-QGZVFWFLSA-N 0 0 400.954 4.494 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)c2ccccc21 ZINC000460766260 873611409 /nfs/dbraw/zinc/61/14/09/873611409.db2.gz GDLHBENZNFDSNB-INIZCTEOSA-N 0 0 408.527 4.180 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000460766486 873611527 /nfs/dbraw/zinc/61/15/27/873611527.db2.gz GMHYEJHPRQRITO-UHFFFAOYSA-N 0 0 420.542 4.359 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N1CCc2ccc(C(=O)OC)cc2C1 ZINC000460768371 873613159 /nfs/dbraw/zinc/61/31/59/873613159.db2.gz KZLMZEQLSMHRKN-UHFFFAOYSA-N 0 0 408.527 4.240 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000460770748 873617650 /nfs/dbraw/zinc/61/76/50/873617650.db2.gz MUPUZCOTFUNMEZ-WVDZOPJMSA-N 0 0 414.600 4.441 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000460770077 873618276 /nfs/dbraw/zinc/61/82/76/873618276.db2.gz KWUDBKNCUMDXCS-OALUTQOASA-N 0 0 416.541 4.491 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCC[C@@H]1c1ccc(C)s1 ZINC000460771507 873620083 /nfs/dbraw/zinc/62/00/83/873620083.db2.gz WBPZFZQSVDYKCU-MRXNPFEDSA-N 0 0 411.531 4.089 20 30 HIEDRN C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000460775836 873626023 /nfs/dbraw/zinc/62/60/23/873626023.db2.gz AXMCDGIUPGCDMM-HTAPYJJXSA-N 0 0 420.513 4.140 20 30 HIEDRN C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCc2ccc(O)cc2C1 ZINC000460775354 873626544 /nfs/dbraw/zinc/62/65/44/873626544.db2.gz FGMSIEUFKCYGHL-UHFFFAOYSA-N 0 0 404.514 4.264 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC=C(c2ccc(CC)cc2)CC1 ZINC000460776480 873627837 /nfs/dbraw/zinc/62/78/37/873627837.db2.gz WKXPPQRMYYGMKR-IBGZPJMESA-N 0 0 410.562 4.434 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC2(CCOCC2)c2ccccc21 ZINC000460776220 873627916 /nfs/dbraw/zinc/62/79/16/873627916.db2.gz VWNFAGPBPGITLY-UHFFFAOYSA-N 0 0 401.514 4.040 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCCC)c(=O)c3ccccc32)nnc1N(CC)C1CC1 ZINC000460776706 873630003 /nfs/dbraw/zinc/63/00/03/873630003.db2.gz JVODYLXXKDLZLI-UHFFFAOYSA-N 0 0 406.534 4.020 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1cccc(Br)c1 ZINC000460779885 873633674 /nfs/dbraw/zinc/63/36/74/873633674.db2.gz FRTLJKUCMBKGGF-AEFFLSMTSA-N 0 0 417.351 4.462 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC000460781344 873636190 /nfs/dbraw/zinc/63/61/90/873636190.db2.gz JRJSTLRKHGTYBN-FQEVSTJZSA-N 0 0 417.351 4.291 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@@H]2c2noc(C)n2)nnc1C(F)(F)Oc1ccccc1 ZINC000460785463 873644848 /nfs/dbraw/zinc/64/48/48/873644848.db2.gz UGAGDMPDCQNGRP-MRXNPFEDSA-N 0 0 416.432 4.015 20 30 HIEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000460790001 873652574 /nfs/dbraw/zinc/65/25/74/873652574.db2.gz CZYNJAHOANFTFI-GOTSBHOMSA-N 0 0 416.525 4.094 20 30 HIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000460790239 873654483 /nfs/dbraw/zinc/65/44/83/873654483.db2.gz GRYLTMFMBHSJLI-YOEHRIQHSA-N 0 0 407.440 4.020 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCc2c(cccc2OC)C1 ZINC000460792733 873659098 /nfs/dbraw/zinc/65/90/98/873659098.db2.gz MUDOIVARUUFMKJ-UHFFFAOYSA-N 0 0 420.513 4.013 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000460793842 873660883 /nfs/dbraw/zinc/66/08/83/873660883.db2.gz MKNBAFXAFBGCAI-VGSWGCGISA-N 0 0 420.561 4.312 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCC[C@@H]1CC(C)(C)C ZINC000460794975 873663584 /nfs/dbraw/zinc/66/35/84/873663584.db2.gz BVCLPTQESZKFNV-GOSISDBHSA-N 0 0 416.591 4.330 20 30 HIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1Cc2ccccc2C[C@@H]1C ZINC000460800430 873670560 /nfs/dbraw/zinc/67/05/60/873670560.db2.gz CESFWDNWCJXXJF-SFHVURJKSA-N 0 0 401.514 4.195 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(COc2ccc(C#N)cc2)n1CC(=C)C ZINC000460800668 873672950 /nfs/dbraw/zinc/67/29/50/873672950.db2.gz FBBXKKKVUFYWDB-UHFFFAOYSA-N 0 0 424.508 4.369 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)[C@H](C)c1ccc(C)cc1C ZINC000460802260 873674269 /nfs/dbraw/zinc/67/42/69/873674269.db2.gz JRJOXXABADFCQV-GOSISDBHSA-N 0 0 407.518 4.191 20 30 HIEDRN C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C#N)(COC)CC1 ZINC000460805954 873681016 /nfs/dbraw/zinc/68/10/16/873681016.db2.gz NNSMNAHTOJFESC-UHFFFAOYSA-N 0 0 411.575 4.212 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC000460807138 873683043 /nfs/dbraw/zinc/68/30/43/873683043.db2.gz YYKAUIYZCJOSBM-YUXAGFNASA-N 0 0 408.546 4.105 20 30 HIEDRN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C)CC1 ZINC000460808525 873685149 /nfs/dbraw/zinc/68/51/49/873685149.db2.gz YEMISWOPNDJUBP-MRXNPFEDSA-N 0 0 400.523 4.173 20 30 HIEDRN C=C(C)Cn1c(COCC)nnc1N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000460809631 873687178 /nfs/dbraw/zinc/68/71/78/873687178.db2.gz FEXVCUOANXWPKF-UHFFFAOYSA-N 0 0 415.588 4.447 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1CCC(C)C ZINC000460810167 873688176 /nfs/dbraw/zinc/68/81/76/873688176.db2.gz CHOKDLULDMTBKK-QGZVFWFLSA-N 0 0 401.580 4.251 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(CNC(=O)c2cccs2)n1CC(=C)C ZINC000460809906 873688298 /nfs/dbraw/zinc/68/82/98/873688298.db2.gz BSQKBQVLPOQLKD-UHFFFAOYSA-N 0 0 407.543 4.038 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCCC[C@@H]1C ZINC000460811171 873690451 /nfs/dbraw/zinc/69/04/51/873690451.db2.gz GMFMYHSQKAHFJN-KRWDZBQOSA-N 0 0 406.534 4.020 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCCC1 ZINC000460818572 873700151 /nfs/dbraw/zinc/70/01/51/873700151.db2.gz XJLIORKCRFAUBS-HXUWFJFHSA-N 0 0 414.575 4.084 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC(C)C ZINC000460857106 873757262 /nfs/dbraw/zinc/75/72/62/873757262.db2.gz MYRJIWLGTJDDOX-UHFFFAOYSA-N 0 0 407.522 4.016 20 30 HIEDRN CCC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(F)cc1F ZINC000468627639 882756563 /nfs/dbraw/zinc/75/65/63/882756563.db2.gz GIZCALVLDFCOSH-SFHVURJKSA-N 0 0 415.440 4.220 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cccnc2)n1C[C@H]1CCCO1 ZINC000460914203 873820735 /nfs/dbraw/zinc/82/07/35/873820735.db2.gz YRQZIAYGSPJPDV-MRXNPFEDSA-N 0 0 415.950 4.427 20 30 HIEDRN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC000460930783 873833637 /nfs/dbraw/zinc/83/36/37/873833637.db2.gz AVVGFDJOASFWCL-UHFFFAOYSA-N 0 0 417.513 4.277 20 30 HIEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cccc2C(C)C)C1 ZINC000460934470 873835369 /nfs/dbraw/zinc/83/53/69/873835369.db2.gz YYXBPMZKXOYZJA-UHFFFAOYSA-N 0 0 416.529 4.188 20 30 HIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N(CCOC)Cc1ccc(F)cc1Cl ZINC000460936096 873837573 /nfs/dbraw/zinc/83/75/73/873837573.db2.gz DPJFAASKDFHPSM-UHFFFAOYSA-N 0 0 415.900 4.362 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC[C@H](C)C1 ZINC000460939250 873840099 /nfs/dbraw/zinc/84/00/99/873840099.db2.gz VNAWIJBHSOFFSL-SFHVURJKSA-N 0 0 420.561 4.438 20 30 HIEDRN C=C(C)Cn1c(CC2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000460941683 873841982 /nfs/dbraw/zinc/84/19/82/873841982.db2.gz TXTFBWCZVHKSBY-QGZVFWFLSA-N 0 0 416.591 4.188 20 30 HIEDRN C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000460944323 873843648 /nfs/dbraw/zinc/84/36/48/873843648.db2.gz DKUJRHKRUHMJAA-YJBOKZPZSA-N 0 0 408.468 4.425 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC(CCCO)CC1 ZINC000460944966 873843711 /nfs/dbraw/zinc/84/37/11/873843711.db2.gz JIFGQWPVMNJEPZ-FCHUYYIVSA-N 0 0 410.562 4.088 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000460944097 873844097 /nfs/dbraw/zinc/84/40/97/873844097.db2.gz PQRDLMZFKHAFGR-QGZVFWFLSA-N 0 0 419.558 4.285 20 30 HIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1cccc(Br)c1 ZINC000460946531 873844646 /nfs/dbraw/zinc/84/46/46/873844646.db2.gz OCSFECCRRWFELU-MRXNPFEDSA-N 0 0 405.340 4.147 20 30 HIEDRN Cc1c(Br)cc(C#N)c(=O)n1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000460947147 873845621 /nfs/dbraw/zinc/84/56/21/873845621.db2.gz FBAVLYIGIXTDTF-UHFFFAOYSA-N 0 0 422.282 4.097 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CCC[C@H]1CCC1CCCC1 ZINC000460948446 873846968 /nfs/dbraw/zinc/84/69/68/873846968.db2.gz WGKTZWPYSNDUBM-IBGZPJMESA-N 0 0 411.550 4.316 20 30 HIEDRN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC000460948436 873847040 /nfs/dbraw/zinc/84/70/40/873847040.db2.gz WDYOFUVUQICVFE-IBGZPJMESA-N 0 0 421.511 4.471 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000460949715 873848017 /nfs/dbraw/zinc/84/80/17/873848017.db2.gz CJSCEQQPLBQWAS-NHCUHLMSSA-N 0 0 409.578 4.404 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)c1cccs1 ZINC000460949889 873848549 /nfs/dbraw/zinc/84/85/49/873848549.db2.gz NKSGPKAWPWYUGR-QGZVFWFLSA-N 0 0 423.590 4.287 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000460949948 873848705 /nfs/dbraw/zinc/84/87/05/873848705.db2.gz NYOVKZHBDWXXKF-PDGJWGCVSA-N 0 0 410.562 4.351 20 30 HIEDRN C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)c1cccs1 ZINC000460949888 873848847 /nfs/dbraw/zinc/84/88/47/873848847.db2.gz NKSGPKAWPWYUGR-KRWDZBQOSA-N 0 0 423.590 4.287 20 30 HIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000460951124 873849818 /nfs/dbraw/zinc/84/98/18/873849818.db2.gz UTMHWLXHIYBYHF-SFTDATJTSA-N 0 0 410.468 4.036 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC000460951327 873849846 /nfs/dbraw/zinc/84/98/46/873849846.db2.gz VYDFTABDMYTAAI-UHFFFAOYSA-N 0 0 412.921 4.449 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000460955864 873853726 /nfs/dbraw/zinc/85/37/26/873853726.db2.gz YXJYHGNVOHORHQ-LJQANCHMSA-N 0 0 409.559 4.087 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000460957778 873855521 /nfs/dbraw/zinc/85/55/21/873855521.db2.gz JCVDMSXSMIKATC-QGZVFWFLSA-N 0 0 405.468 4.399 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(C)C)CC1 ZINC000460960534 873857545 /nfs/dbraw/zinc/85/75/45/873857545.db2.gz PZVLFFZMUAQEDD-KRWDZBQOSA-N 0 0 401.580 4.108 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC000460964987 873861638 /nfs/dbraw/zinc/86/16/38/873861638.db2.gz WQCLTMQAYFKQEF-NRFANRHFSA-N 0 0 402.926 4.094 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC000460965342 873862566 /nfs/dbraw/zinc/86/25/66/873862566.db2.gz YOGAZZVDIORDIH-RTBURBONSA-N 0 0 402.926 4.234 20 30 HIEDRN CCS(=O)(=O)c1cccc(CC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000461002435 873880197 /nfs/dbraw/zinc/88/01/97/873880197.db2.gz RHHXCMWTCFSSFG-UHFFFAOYSA-N 0 0 420.490 4.325 20 30 HIEDRN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CSC(C)C)c2C)cc1 ZINC000461011738 873884567 /nfs/dbraw/zinc/88/45/67/873884567.db2.gz IFJXUBHIACZZHQ-UHFFFAOYSA-N 0 0 418.584 4.353 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CCC[C@]12CCCCO2 ZINC000468637101 882769632 /nfs/dbraw/zinc/76/96/32/882769632.db2.gz GRESPTARZRIBHL-FXAWDEMLSA-N 0 0 403.454 4.156 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCC3(CCOCC3)C2)cc1C ZINC000461013576 873885031 /nfs/dbraw/zinc/88/50/31/873885031.db2.gz GDTXBFZOFNJTNP-UHFFFAOYSA-N 0 0 406.530 4.113 20 30 HIEDRN C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(I)c1 ZINC000468636507 882770688 /nfs/dbraw/zinc/77/06/88/882770688.db2.gz BWFPTLYXJSJMDR-NSHDSACASA-N 0 0 408.264 4.282 20 30 HIEDRN N#C[C@H]1N(C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CCC[C@]12CCCCO2 ZINC000468636478 882770850 /nfs/dbraw/zinc/77/08/50/882770850.db2.gz BQDFRUJDHALYDD-DENIHFKCSA-N 0 0 413.424 4.220 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)c1 ZINC000468636917 882770864 /nfs/dbraw/zinc/77/08/64/882770864.db2.gz FQXGSIDEZWUOAL-FQEVSTJZSA-N 0 0 407.832 4.195 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCO1 ZINC000461055604 873928787 /nfs/dbraw/zinc/92/87/87/873928787.db2.gz KCHNLNXLKWRBML-QAPCUYQASA-N 0 0 422.558 4.294 20 30 HIEDRN N#C[C@@H]1N(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CCC[C@]12CCCCO2 ZINC000468640625 882775156 /nfs/dbraw/zinc/77/51/56/882775156.db2.gz XMLWTUZGQKDTHJ-LADGPHEKSA-N 0 0 408.498 4.144 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)n1C[C@H]1CCCO1 ZINC000461064131 873944898 /nfs/dbraw/zinc/94/48/98/873944898.db2.gz HNAKRHOBGSPDNS-AABGKKOBSA-N 0 0 417.598 4.142 20 30 HIEDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000468643899 882776788 /nfs/dbraw/zinc/77/67/88/882776788.db2.gz VICUMIVZGZVTPT-YCRPNKLZSA-N 0 0 403.548 4.109 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccc(F)c3)n2C[C@H]2CCCO2)cc1 ZINC000461069853 873958325 /nfs/dbraw/zinc/95/83/25/873958325.db2.gz YGVGLONNJIZDDK-FGZHOGPDSA-N 0 0 417.488 4.476 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000461082944 873991580 /nfs/dbraw/zinc/99/15/80/873991580.db2.gz CZIDMMCUCTXWTE-PBHICJAKSA-N 0 0 422.699 4.381 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000461084810 873997000 /nfs/dbraw/zinc/99/70/00/873997000.db2.gz JDVZKWCQFBNPMN-WOJBJXKFSA-N 0 0 409.917 4.371 20 30 HIEDRN CC(=O)c1cc(F)c(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c(F)c1F ZINC000461097692 874014306 /nfs/dbraw/zinc/01/43/06/874014306.db2.gz JZSJCBCSGKLRHQ-UHFFFAOYSA-N 0 0 424.272 4.233 20 30 HIEDRN CC(=O)c1cc(F)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(F)c1F ZINC000461099450 874018273 /nfs/dbraw/zinc/01/82/73/874018273.db2.gz MYJZJLQEAYJMKX-UHFFFAOYSA-N 0 0 407.417 4.229 20 30 HIEDRN CCSc1cc(Cl)ccc1C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000461100807 874019992 /nfs/dbraw/zinc/01/99/92/874019992.db2.gz BGJDHNIBWWVKEX-OAHLLOKOSA-N 0 0 420.918 4.472 20 30 HIEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc(OCc4ccccn4)cc3)CC2)c1 ZINC000461107342 874028470 /nfs/dbraw/zinc/02/84/70/874028470.db2.gz CCIIEACTLLPXPZ-UHFFFAOYSA-N 0 0 413.477 4.216 20 30 HIEDRN CCSc1cc(Cl)ccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000461108074 874029322 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417.513 4.059 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccc3ccccc3c2)n1C[C@@H]1CCOC1 ZINC000461607859 874746459 /nfs/dbraw/zinc/74/64/59/874746459.db2.gz KBVZGOWRULRQRF-FHWLQOOXSA-N 0 0 419.529 4.346 20 30 HIEDRN CC(C)CCN(CCC#N)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCOC1 ZINC000461620897 874774649 /nfs/dbraw/zinc/77/46/49/874774649.db2.gz UCADBIGTDPSGRZ-LJQANCHMSA-N 0 0 418.545 4.296 20 30 HIEDRN CC[C@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461622836 874775705 /nfs/dbraw/zinc/77/57/05/874775705.db2.gz YSWVBJWXTFFGGD-XLIONFOSSA-N 0 0 419.554 4.429 20 30 HIEDRN C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)N1CCc2sccc2C1 ZINC000468798767 882864500 /nfs/dbraw/zinc/86/45/00/882864500.db2.gz CLQUMXUVUKHRBG-QGZVFWFLSA-N 0 0 406.555 4.183 20 30 HIEDRN CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1)C1CCCCC1 ZINC000461649172 874805494 /nfs/dbraw/zinc/80/54/94/874805494.db2.gz IWFZWMKCYNWOQQ-NRFANRHFSA-N 0 0 409.534 4.067 20 30 HIEDRN C=CCN(CCOC)c1nnc(Cc2ccc3ccccc3c2)n1C[C@@H]1CCCCO1 ZINC000461649579 874806517 /nfs/dbraw/zinc/80/65/17/874806517.db2.gz BHSXINLSJCYNHS-QHCPKHFHSA-N 0 0 420.557 4.230 20 30 HIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000461675825 874826397 /nfs/dbraw/zinc/82/63/97/874826397.db2.gz VMXYMBXBDGJNLW-UHFFFAOYSA-N 0 0 418.291 4.412 20 30 HIEDRN C=CCN(Cc1ccccc1)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCOC1 ZINC000461686357 874837214 /nfs/dbraw/zinc/83/72/14/874837214.db2.gz GMOFJQDCEHHHDL-JOCHJYFZSA-N 0 0 418.541 4.395 20 30 HIEDRN CC(C)N(Cc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461714849 874863684 /nfs/dbraw/zinc/86/36/84/874863684.db2.gz ZENWAIUFLCZTKV-GOSISDBHSA-N 0 0 407.543 4.330 20 30 HIEDRN Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1NC(=O)c1ccccc1 ZINC000461722774 874870214 /nfs/dbraw/zinc/87/02/14/874870214.db2.gz CCTAKVYAKUGANJ-UHFFFAOYSA-N 0 0 411.461 4.022 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCc4sccc4C3)n2C[C@H]2CCCCO2)cc1 ZINC000461734233 874879869 /nfs/dbraw/zinc/87/98/69/874879869.db2.gz PMOIVUWQLOCOTK-LJQANCHMSA-N 0 0 405.527 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CCC[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462028995 875144297 /nfs/dbraw/zinc/14/42/97/875144297.db2.gz AZQCGMGGAXZAFR-JPYJTQIMSA-N 0 0 418.541 4.186 20 30 HIEDRN C[C@@H](C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000462030249 875145361 /nfs/dbraw/zinc/14/53/61/875145361.db2.gz YGFFMHZCODLORB-MRXNPFEDSA-N 0 0 410.905 4.082 20 30 HIEDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000462039457 875153089 /nfs/dbraw/zinc/15/30/89/875153089.db2.gz YWSWFEHQWZTVTQ-AZUAARDMSA-N 0 0 404.514 4.031 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000462053988 875166636 /nfs/dbraw/zinc/16/66/36/875166636.db2.gz DLBFBGGFGNSUPU-UHFFFAOYSA-N 0 0 418.950 4.153 20 30 HIEDRN C[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccc(C#N)c1 ZINC000462070389 875181384 /nfs/dbraw/zinc/18/13/84/875181384.db2.gz HHAQVQMFXGNQFF-KRWDZBQOSA-N 0 0 404.491 4.274 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000462090071 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ZINC000463681775 876803483 /nfs/dbraw/zinc/80/34/83/876803483.db2.gz QNUFTNQWMXQMDN-LJQANCHMSA-N 0 0 418.927 4.350 20 30 HIEDRN N#Cc1ccccc1OC1CCC(NC(=O)C(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000463719553 876838117 /nfs/dbraw/zinc/83/81/17/876838117.db2.gz ALJJQAMJKXGLLB-UHFFFAOYSA-N 0 0 417.509 4.271 20 30 HIEDRN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000463747842 876869793 /nfs/dbraw/zinc/86/97/93/876869793.db2.gz CSVJLIMWOAIJGO-FQEVSTJZSA-N 0 0 414.484 4.269 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000463748465 876871384 /nfs/dbraw/zinc/87/13/84/876871384.db2.gz FEDMXFYWOUXMKC-FQEVSTJZSA-N 0 0 401.470 4.121 20 30 HIEDRN COc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(NC(C)=O)c1OC ZINC000463753756 876877859 /nfs/dbraw/zinc/87/78/59/876877859.db2.gz GPMGPSBJKHPUOQ-ZDUSSCGKSA-N 0 0 413.499 4.309 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](n4cccn4)C3)cc2Cl)c1 ZINC000463756863 876880380 /nfs/dbraw/zinc/88/03/80/876880380.db2.gz RBVGRIYKXFPKRT-IBGZPJMESA-N 0 0 421.888 4.466 20 30 HIEDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463817467 876932872 /nfs/dbraw/zinc/93/28/72/876932872.db2.gz XGPZGZDZIXKLRM-HXUWFJFHSA-N 0 0 419.525 4.240 20 30 HIEDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000463825835 876941082 /nfs/dbraw/zinc/94/10/82/876941082.db2.gz QPFBLVIINGBBIL-IBGZPJMESA-N 0 0 420.509 4.331 20 30 HIEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Nc1cccc(C2CCC2)c1 ZINC000463841905 876964270 /nfs/dbraw/zinc/96/42/70/876964270.db2.gz WBBTWMKEDAKQBZ-UHFFFAOYSA-N 0 0 414.513 4.348 20 30 HIEDRN CC(C)[C@H](C#N)NC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 ZINC000463843444 876966279 /nfs/dbraw/zinc/96/62/79/876966279.db2.gz YOYSRCMVNBVQLO-AWEZNQCLSA-N 0 0 410.827 4.311 20 30 HIEDRN C[C@@H](O)C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000469024067 883091343 /nfs/dbraw/zinc/09/13/43/883091343.db2.gz NYMPCQBLHZMVRS-UTKZUKDTSA-N 0 0 401.466 4.030 20 30 HIEDRN COc1cccc(N2CC[C@@H](CNC(=O)c3cn(CCCC#N)c4ccccc34)C2)c1 ZINC000469025022 883092510 /nfs/dbraw/zinc/09/25/10/883092510.db2.gz QGHUVOPTCASUCV-IBGZPJMESA-N 0 0 416.525 4.210 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000469024353 883093279 /nfs/dbraw/zinc/09/32/79/883093279.db2.gz SOTAKEKGHDGGME-UHFFFAOYSA-N 0 0 404.392 4.280 20 30 HIEDRN CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](Oc2ccccc2C#N)C(C)C)cs1 ZINC000463983175 877114629 /nfs/dbraw/zinc/11/46/29/877114629.db2.gz OERSHQSEFGNSCN-HNAYVOBHSA-N 0 0 401.532 4.174 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3c3ccc(C)cc3)cc2C1=O ZINC000464041402 877179871 /nfs/dbraw/zinc/17/98/71/877179871.db2.gz QZKRRQJJKMYAOH-DENIHFKCSA-N 0 0 402.494 4.185 20 30 HIEDRN CCc1nc(C(=O)NCc2cc(C#N)ccc2F)nn1-c1c(Cl)cccc1Cl ZINC000464046855 877189415 /nfs/dbraw/zinc/18/94/15/877189415.db2.gz WNVYHXFBQDJQPM-UHFFFAOYSA-N 0 0 418.259 4.077 20 30 HIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c1C ZINC000464052753 877194092 /nfs/dbraw/zinc/19/40/92/877194092.db2.gz YNDPNJPNPNXOCG-SFHVURJKSA-N 0 0 419.916 4.479 20 30 HIEDRN Cc1ccc2nc(COc3cccc(C(=O)NCc4cc(C#N)ccc4F)c3)cn2c1 ZINC000464053215 877196374 /nfs/dbraw/zinc/19/63/74/877196374.db2.gz LTFAEYQYSTZTNQ-UHFFFAOYSA-N 0 0 414.440 4.163 20 30 HIEDRN COc1cc(CSCc2nnnn2C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000464066758 877213225 /nfs/dbraw/zinc/21/32/25/877213225.db2.gz AKJDCRJZSWLYDD-UHFFFAOYSA-N 0 0 423.542 4.321 20 30 HIEDRN COc1ccc(CN(Cc2cc(F)ccc2C#N)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000469037072 883108343 /nfs/dbraw/zinc/10/83/43/883108343.db2.gz QNRCJLDXCGYDMJ-UHFFFAOYSA-N 0 0 402.429 4.495 20 30 HIEDRN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000464072322 877222784 /nfs/dbraw/zinc/22/27/84/877222784.db2.gz RRDJGXOVSXUKGA-OAQYLSRUSA-N 0 0 416.884 4.198 20 30 HIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn(-c2ccncc2)c1C(F)F ZINC000469044490 883114777 /nfs/dbraw/zinc/11/47/77/883114777.db2.gz QKNPDRNKJAJPOW-UHFFFAOYSA-N 0 0 420.341 4.005 20 30 HIEDRN CCc1cnc(CCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)s1 ZINC000464133280 877292723 /nfs/dbraw/zinc/29/27/23/877292723.db2.gz DUSRFCAAEFXSNG-UHFFFAOYSA-N 0 0 407.543 4.072 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000464161797 877329446 /nfs/dbraw/zinc/32/94/46/877329446.db2.gz WEVVIWLFALARNK-UHFFFAOYSA-N 0 0 400.438 4.451 20 30 HIEDRN CC(C)(C)[C@](C)(C#N)NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000464157749 877325879 /nfs/dbraw/zinc/32/58/79/877325879.db2.gz KDHQTKIYPMJGTJ-FQEVSTJZSA-N 0 0 409.452 4.002 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464189441 877361073 /nfs/dbraw/zinc/36/10/73/877361073.db2.gz USOUIQNEMWVHOB-GFCCVEGCSA-N 0 0 419.706 4.326 20 30 HIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 ZINC000464280355 877467363 /nfs/dbraw/zinc/46/73/63/877467363.db2.gz JYZBLXBNCAUKQR-UHFFFAOYSA-N 0 0 422.872 4.873 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000464308433 877498764 /nfs/dbraw/zinc/49/87/64/877498764.db2.gz ZRJFHTWHCGGCLS-HNNXBMFYSA-N 0 0 421.280 4.283 20 30 HIEDRN N#Cc1ccc(F)c(CNC(=O)NCc2ccc(OCc3ccccc3F)cc2)c1 ZINC000464376952 877577037 /nfs/dbraw/zinc/57/70/37/877577037.db2.gz SUKRRGPBCMAPDT-UHFFFAOYSA-N 0 0 407.420 4.415 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1cccc(Cl)c1Cl ZINC000464403552 877605784 /nfs/dbraw/zinc/60/57/84/877605784.db2.gz VHECSLLISZJZEV-OAHLLOKOSA-N 0 0 407.207 4.452 20 30 HIEDRN CC(C)(C)CNC(=O)c1ccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464406030 877609531 /nfs/dbraw/zinc/60/95/31/877609531.db2.gz NFKNQVNNOPPWHW-MRXNPFEDSA-N 0 0 403.404 4.366 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccccc1 ZINC000464414582 877621818 /nfs/dbraw/zinc/62/18/18/877621818.db2.gz LYJYMGFPAWGLNX-UHFFFAOYSA-N 0 0 403.404 4.457 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCc1ccc(F)cc1Cl ZINC000503272444 912256028 /nfs/dbraw/zinc/25/60/28/912256028.db2.gz CLVXLZFNIRIXFJ-CYBMUJFWSA-N 0 0 419.909 4.028 20 30 HIEDRN C=CCc1cc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cc(OC)c1OC ZINC000464419466 877626678 /nfs/dbraw/zinc/62/66/78/877626678.db2.gz DXNFDJAGFAVMAR-HXUWFJFHSA-N 0 0 403.482 4.073 20 30 HIEDRN COc1ccccc1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000464423546 877632327 /nfs/dbraw/zinc/63/23/27/877632327.db2.gz DHFUAJNVTQDSIA-MRXNPFEDSA-N 0 0 422.506 4.282 20 30 HIEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000464447662 877661933 /nfs/dbraw/zinc/66/19/33/877661933.db2.gz FCABLUWJLZYHCQ-HXUWFJFHSA-N 0 0 405.542 4.119 20 30 HIEDRN N#C[C@H](C(=O)c1ccccc1COC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000464467177 877688444 /nfs/dbraw/zinc/68/84/44/877688444.db2.gz KAFXSOWNNDGXDB-SFHVURJKSA-N 0 0 404.388 4.286 20 30 HIEDRN C=CCOc1cc(OC)ccc1C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000464515413 877738550 /nfs/dbraw/zinc/73/85/50/877738550.db2.gz AKODUKPWYFVEDQ-UHFFFAOYSA-N 0 0 405.498 4.355 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000464525339 877743607 /nfs/dbraw/zinc/74/36/07/877743607.db2.gz XFEOMWCPLRFTMS-QGZVFWFLSA-N 0 0 403.385 4.094 20 30 HIEDRN N#C[C@@H]1N(C(=O)c2cc(Br)cc3cccnc32)CCC[C@]12CCCCO2 ZINC000464529810 877747128 /nfs/dbraw/zinc/74/71/28/877747128.db2.gz VXBONDDGTVXRLY-FXAWDEMLSA-N 0 0 414.303 4.065 20 30 HIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000464538726 877754868 /nfs/dbraw/zinc/75/48/68/877754868.db2.gz QUHQGDXPPPFBAF-INIZCTEOSA-N 0 0 414.527 4.192 20 30 HIEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)N[C@H]1CCCCC12CCCC2 ZINC000464541061 877756258 /nfs/dbraw/zinc/75/62/58/877756258.db2.gz PNTARTUEJGYAPX-NRFANRHFSA-N 0 0 420.561 4.061 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccccc2S(=O)(=O)C2CCCC2)c1 ZINC000464567328 877784675 /nfs/dbraw/zinc/78/46/75/877784675.db2.gz DJMQQRDYHUDMOH-UHFFFAOYSA-N 0 0 400.525 4.271 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1C#N ZINC000464634402 877851435 /nfs/dbraw/zinc/85/14/35/877851435.db2.gz COPPPAIHFJRBFQ-LBPRGKRZSA-N 0 0 401.919 4.403 20 30 HIEDRN N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)c(F)c3)c2)cc1F ZINC000464635750 877852927 /nfs/dbraw/zinc/85/29/27/877852927.db2.gz KBPDHDUDFBMPHU-UHFFFAOYSA-N 0 0 402.360 4.213 20 30 HIEDRN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(OC)cc1 ZINC000464637521 877855311 /nfs/dbraw/zinc/85/53/11/877855311.db2.gz NSPWEGOHPIZVQC-NZQKXSOJSA-N 0 0 423.488 4.424 20 30 HIEDRN N#Cc1ncn(-c2ccccc2NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000464638999 877856593 /nfs/dbraw/zinc/85/65/93/877856593.db2.gz SBQJHGNLWOBEKQ-UHFFFAOYSA-N 0 0 422.659 4.117 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1F ZINC000464640548 877858162 /nfs/dbraw/zinc/85/81/62/877858162.db2.gz ZZFNXCQWGAGCQM-SFHVURJKSA-N 0 0 401.441 4.341 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1F ZINC000464640547 877858322 /nfs/dbraw/zinc/85/83/22/877858322.db2.gz ZZFNXCQWGAGCQM-GOSISDBHSA-N 0 0 401.441 4.341 20 30 HIEDRN COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000464649608 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401.513 4.280 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)Oc2ccccc2C)cc1 ZINC000466173452 879873933 /nfs/dbraw/zinc/87/39/33/879873933.db2.gz LAHMKOHCLFFPDU-IBGZPJMESA-N 0 0 407.514 4.398 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000466180435 879878018 /nfs/dbraw/zinc/87/80/18/879878018.db2.gz WOLNWEKYTWYLIE-LJQANCHMSA-N 0 0 407.514 4.398 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000466180434 879878312 /nfs/dbraw/zinc/87/83/12/879878312.db2.gz WOLNWEKYTWYLIE-IBGZPJMESA-N 0 0 407.514 4.398 20 30 HIEDRN COc1cc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c2ccccc2n1 ZINC000466201735 879893581 /nfs/dbraw/zinc/89/35/81/879893581.db2.gz MOAZSIKUBDJJQR-UNMCSNQZSA-N 0 0 400.482 4.225 20 30 HIEDRN CN(C)c1cccc(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 ZINC000503472633 912507632 /nfs/dbraw/zinc/50/76/32/912507632.db2.gz UNMHUVPZANZTKV-UHFFFAOYSA-N 0 0 419.460 4.059 20 30 HIEDRN C=C(C)CN(CC)C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 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880102804 /nfs/dbraw/zinc/10/28/04/880102804.db2.gz GIJNCGSSVZKJJA-GOSISDBHSA-N 0 0 410.481 4.114 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(Cl)c3Br)n2)c1 ZINC000466349771 880108054 /nfs/dbraw/zinc/10/80/54/880108054.db2.gz KHMWWCNMUSMIIV-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN C=CC[C@H](CC)NC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000466366273 880124852 /nfs/dbraw/zinc/12/48/52/880124852.db2.gz FNOXWWVFLUAXQF-SFHVURJKSA-N 0 0 414.575 4.001 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000466369621 880128059 /nfs/dbraw/zinc/12/80/59/880128059.db2.gz COAMIEKPMFKJHC-OAHLLOKOSA-N 0 0 403.866 4.413 20 30 HIEDRN N#CC1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000466397223 880162793 /nfs/dbraw/zinc/16/27/93/880162793.db2.gz UKPHKWHGQMNOJN-NRFANRHFSA-N 0 0 411.889 4.146 20 30 HIEDRN COc1cccc(-c2noc([C@@H](C)NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)n2)c1 ZINC000466466610 880248573 /nfs/dbraw/zinc/24/85/73/880248573.db2.gz SOXKHKUXBKPEJI-MRXNPFEDSA-N 0 0 419.485 4.298 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(F)c(Br)cc2Cl)cc1 ZINC000466469169 880251664 /nfs/dbraw/zinc/25/16/64/880251664.db2.gz PTSCZXXIEORJDR-LBPRGKRZSA-N 0 0 406.642 4.434 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000466478099 880259931 /nfs/dbraw/zinc/25/99/31/880259931.db2.gz ACDXNIKRPVRNRC-GJZGRUSLSA-N 0 0 408.449 4.186 20 30 HIEDRN N#C[C@H](C(=O)c1nccc2ccccc21)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000503501505 912548353 /nfs/dbraw/zinc/54/83/53/912548353.db2.gz MIEMHWJLCXWILQ-OAHLLOKOSA-N 0 0 400.463 4.314 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)C1=O ZINC000466504910 880279508 /nfs/dbraw/zinc/27/95/08/880279508.db2.gz JTEMVBFVUJSPSN-IBGZPJMESA-N 0 0 420.406 4.370 20 30 HIEDRN Cc1cccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503502407 912550663 /nfs/dbraw/zinc/55/06/63/912550663.db2.gz FNEWLEUFOLXCCE-UHFFFAOYSA-N 0 0 411.914 4.306 20 30 HIEDRN Cc1ccccc1C[C@@H](CO)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000466565817 880340513 /nfs/dbraw/zinc/34/05/13/880340513.db2.gz IUAUJLGOBZFOGY-NRFANRHFSA-N 0 0 401.466 4.384 20 30 HIEDRN Cc1ccccc1C[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000466568137 880343136 /nfs/dbraw/zinc/34/31/36/880343136.db2.gz SYIWINNKHYGRPA-NRFANRHFSA-N 0 0 401.466 4.384 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000466569571 880344767 /nfs/dbraw/zinc/34/47/67/880344767.db2.gz HISIPDRTKRXNPM-UHFFFAOYSA-N 0 0 401.514 4.294 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000466595781 880365864 /nfs/dbraw/zinc/36/58/64/880365864.db2.gz IYPBDXOJFZTZMP-UHFFFAOYSA-N 0 0 408.380 4.027 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000466597560 880366943 /nfs/dbraw/zinc/36/69/43/880366943.db2.gz GUFMSSHBLCXOIM-UHFFFAOYSA-N 0 0 417.469 4.060 20 30 HIEDRN COc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1OC1CCCC1 ZINC000466600206 880370162 /nfs/dbraw/zinc/37/01/62/880370162.db2.gz WUABRKMPZTVLNN-UHFFFAOYSA-N 0 0 424.501 4.416 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000466605903 880375087 /nfs/dbraw/zinc/37/50/87/880375087.db2.gz DVWSCUVYCDCKDA-MRXNPFEDSA-N 0 0 415.291 4.336 20 30 HIEDRN CC(C)Oc1cc(CN(C(=O)Nc2ncccc2OCCCC#N)C2CC2)ccn1 ZINC000466606977 880375837 /nfs/dbraw/zinc/37/58/37/880375837.db2.gz KSNJWWFJSLWNIW-UHFFFAOYSA-N 0 0 409.490 4.143 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000466606774 880376147 /nfs/dbraw/zinc/37/61/47/880376147.db2.gz AYUNFLPUCRCARE-HXUWFJFHSA-N 0 0 405.433 4.209 20 30 HIEDRN COc1ccc([C@H](NC(=O)Nc2ncccc2OCCCC#N)C(F)(F)F)cc1 ZINC000466608738 880378688 /nfs/dbraw/zinc/37/86/88/880378688.db2.gz JAVGGAYTQWMJAD-INIZCTEOSA-N 0 0 408.380 4.198 20 30 HIEDRN Cc1ccc2nc(COc3cccc(C(=O)NCCc4cccc(C#N)c4)c3)cn2c1 ZINC000466609672 880380843 /nfs/dbraw/zinc/38/08/43/880380843.db2.gz IZEXQVWDGMNYJT-UHFFFAOYSA-N 0 0 410.477 4.066 20 30 HIEDRN CCCCOc1ccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1Cl ZINC000466617037 880386976 /nfs/dbraw/zinc/38/69/76/880386976.db2.gz HCEQNZOUCICIHX-UHFFFAOYSA-N 0 0 424.892 4.293 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000466620569 880392025 /nfs/dbraw/zinc/39/20/25/880392025.db2.gz TXBXBVAHIKGKHX-OAHLLOKOSA-N 0 0 423.448 4.456 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1ncccc1OCCCC#N ZINC000466622902 880394461 /nfs/dbraw/zinc/39/44/61/880394461.db2.gz JTKOFSBHGHHDOR-GFCCVEGCSA-N 0 0 424.427 4.023 20 30 HIEDRN Cc1cc(C(=O)Nc2cc(F)c(Br)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000503520752 912567378 /nfs/dbraw/zinc/56/73/78/912567378.db2.gz IWXKMBFJBCAHNG-UHFFFAOYSA-N 0 0 417.213 4.345 20 30 HIEDRN CC1(C)CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000466668514 880452569 /nfs/dbraw/zinc/45/25/69/880452569.db2.gz NDMIEHPTBPHANW-NRFANRHFSA-N 0 0 405.498 4.161 20 30 HIEDRN CC1(C)CCCC[C@H]1NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000466668517 880452880 /nfs/dbraw/zinc/45/28/80/880452880.db2.gz NDMIEHPTBPHANW-OAQYLSRUSA-N 0 0 405.498 4.161 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)Nc3cc(Cl)c(Cl)cn3)CC2)nc1 ZINC000466676940 880463414 /nfs/dbraw/zinc/46/34/14/880463414.db2.gz HONFRKFVKXPQFE-UHFFFAOYSA-N 0 0 406.273 4.167 20 30 HIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000466744452 880526611 /nfs/dbraw/zinc/52/66/11/880526611.db2.gz DWCCKLKROPGIEV-INIZCTEOSA-N 0 0 402.516 4.345 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 ZINC000466754825 880534703 /nfs/dbraw/zinc/53/47/03/880534703.db2.gz VWKLPKRVNBVSJZ-UHFFFAOYSA-N 0 0 409.820 4.179 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1c(F)cccc1OC(F)F ZINC000466761454 880541609 /nfs/dbraw/zinc/54/16/09/880541609.db2.gz CEWHTHXXZABHAH-MAUKXSAKSA-N 0 0 403.404 4.408 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccc(C#N)cc1 ZINC000466786578 880566547 /nfs/dbraw/zinc/56/65/47/880566547.db2.gz GIJSHGBIWDFIDD-MRXNPFEDSA-N 0 0 424.460 4.106 20 30 HIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)NCCc1cccc(C#N)c1 ZINC000466804274 880580801 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COC(=O)c1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 ZINC000466889298 880657499 /nfs/dbraw/zinc/65/74/99/880657499.db2.gz VVQIDDOBWLGDKX-UHFFFAOYSA-N 0 0 404.397 4.206 20 30 HIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(c3cccs3)CC2)c1 ZINC000466900924 880667807 /nfs/dbraw/zinc/66/78/07/880667807.db2.gz MQRDMZUTPGBRFE-UHFFFAOYSA-N 0 0 403.507 4.161 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)NCc1ccc(Cl)cc1I ZINC000503542448 912603853 /nfs/dbraw/zinc/60/38/53/912603853.db2.gz WMXQOZCZEAFLJR-UHFFFAOYSA-N 0 0 419.694 4.074 20 30 HIEDRN C=CCC[C@@H](NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)c1ccccc1 ZINC000467044513 880839878 /nfs/dbraw/zinc/83/98/78/880839878.db2.gz JPLDLSVMEQMDHK-DYESRHJHSA-N 0 0 419.518 4.227 20 30 HIEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000467081647 880853603 /nfs/dbraw/zinc/85/36/03/880853603.db2.gz QZQVNWXWZVIGNB-HXUWFJFHSA-N 0 0 414.502 4.045 20 30 HIEDRN C=CCSCCNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467088858 880855660 /nfs/dbraw/zinc/85/56/60/880855660.db2.gz 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883293447 /nfs/dbraw/zinc/29/34/47/883293447.db2.gz HKMBQXZHHYPTPJ-ICSRJNTNSA-N 0 0 409.555 4.310 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000469233860 883333237 /nfs/dbraw/zinc/33/32/37/883333237.db2.gz OVTJLHGLQHDYQX-QGZVFWFLSA-N 0 0 405.267 4.122 20 30 HIEDRN CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000503602959 912696206 /nfs/dbraw/zinc/69/62/06/912696206.db2.gz XWAPMOCHRGHYHA-DEOSSOPVSA-N 0 0 400.478 4.333 20 30 HIEDRN CC(=O)Nc1ccc(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)cn1 ZINC000469249894 883346667 /nfs/dbraw/zinc/34/66/67/883346667.db2.gz RCLVGLXBWOOVJA-UHFFFAOYSA-N 0 0 420.856 4.287 20 30 HIEDRN C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)NC1(C#N)CCC1 ZINC000469285416 883382640 /nfs/dbraw/zinc/38/26/40/883382640.db2.gz UORDVZRSTZTIQA-LBPRGKRZSA-N 0 0 422.382 4.395 20 30 HIEDRN C=CCN(C(=O)Cc1cccc(Cl)c1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469305213 883403400 /nfs/dbraw/zinc/40/34/00/883403400.db2.gz UNKYWJIKTFCJIL-CQSZACIVSA-N 0 0 416.312 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CKKXXBQMLJLINP-LLVKDONJSA-N 0 0 418.350 4.272 20 30 HIEDRN N#CCCC[C@H](NC(=O)Cc1ccc(I)cc1)c1ccccc1 ZINC000487400510 902182944 /nfs/dbraw/zinc/18/29/44/902182944.db2.gz DHYMUBRJBJTEST-SFHVURJKSA-N 0 0 418.278 4.385 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000487405256 902188138 /nfs/dbraw/zinc/18/81/38/902188138.db2.gz CGFMFXONGIEMEC-UHFFFAOYSA-N 0 0 419.275 4.134 20 30 HIEDRN O=C(CCOCC(F)(F)C(F)F)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000505948300 914600878 /nfs/dbraw/zinc/60/08/78/914600878.db2.gz UWOHPBMSIQIWIG-UHFFFAOYSA-N 0 0 413.293 4.137 20 30 HIEDRN CCN(Cc1ccccc1C(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000487409184 902191594 /nfs/dbraw/zinc/19/15/94/902191594.db2.gz GCCUDDMLNBVCNL-UHFFFAOYSA-N 0 0 420.513 4.176 20 30 HIEDRN Cc1ccc([C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc2)cc1 ZINC000487514396 902230384 /nfs/dbraw/zinc/23/03/84/902230384.db2.gz BMDFMUCOVUJTSF-LADGPHEKSA-N 0 0 412.493 4.214 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000505952749 914606410 /nfs/dbraw/zinc/60/64/10/914606410.db2.gz DFDJWZAFBACTCN-GOSISDBHSA-N 0 0 402.281 4.265 20 30 HIEDRN C=CCN(C(=O)CCc1cncc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000487578824 902246817 /nfs/dbraw/zinc/24/68/17/902246817.db2.gz UTFQWSVZTAJDKV-UHFFFAOYSA-N 0 0 412.446 4.404 20 30 HIEDRN COc1ccc(-c2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)[nH]n2)cc1OC ZINC000487614803 902252688 /nfs/dbraw/zinc/25/26/88/902252688.db2.gz DHPAAERIRZLTRL-GOSISDBHSA-N 0 0 404.470 4.259 20 30 HIEDRN CCN(C(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1Cl)C(C)C ZINC000487661395 902280295 /nfs/dbraw/zinc/28/02/95/902280295.db2.gz FGQIXSKFYUUNSH-HNNXBMFYSA-N 0 0 413.905 4.488 20 30 HIEDRN COc1ccc(CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000505955396 914609818 /nfs/dbraw/zinc/60/98/18/914609818.db2.gz WFJPFYVUIBBJQR-MRXNPFEDSA-N 0 0 422.403 4.045 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000505955077 914610710 /nfs/dbraw/zinc/61/07/10/914610710.db2.gz RVAICZUCOQVXRY-MRXNPFEDSA-N 0 0 403.294 4.435 20 30 HIEDRN CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000487775978 902358255 /nfs/dbraw/zinc/35/82/55/902358255.db2.gz IDFWWXYTERZLJL-UHFFFAOYSA-N 0 0 411.889 4.290 20 30 HIEDRN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505961154 914617873 /nfs/dbraw/zinc/61/78/73/914617873.db2.gz UVGIOJKKOZTQHX-KRWDZBQOSA-N 0 0 418.280 4.414 20 30 HIEDRN COc1cc2c(cc1F)CC[C@@H]2NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487833968 902395261 /nfs/dbraw/zinc/39/52/61/902395261.db2.gz HHAIXVKBHLXXMT-INIZCTEOSA-N 0 0 404.239 4.277 20 30 HIEDRN COc1cc2c(cc1F)CC[C@H]2NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487833972 902395460 /nfs/dbraw/zinc/39/54/60/902395460.db2.gz HHAIXVKBHLXXMT-MRXNPFEDSA-N 0 0 404.239 4.277 20 30 HIEDRN COCCCOc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1OC ZINC000487859828 902411775 /nfs/dbraw/zinc/41/17/75/902411775.db2.gz SWWRUHLPSPRSHR-LEWJYISDSA-N 0 0 423.513 4.414 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000487874979 902419519 /nfs/dbraw/zinc/41/95/19/902419519.db2.gz FPOZUXBGJWLDSS-UHFFFAOYSA-N 0 0 416.525 4.192 20 30 HIEDRN Cn1c(CNC(=O)Nc2ccc(C#N)c(Br)c2)nc2cc(Cl)ccc21 ZINC000487882664 902424610 /nfs/dbraw/zinc/42/46/10/902424610.db2.gz PEAGUCLXWMLKRI-UHFFFAOYSA-N 0 0 418.682 4.183 20 30 HIEDRN Cc1cc(I)cc(C(=O)N[C@H](C#N)c2ccccc2F)c1C ZINC000505965042 914626113 /nfs/dbraw/zinc/62/61/13/914626113.db2.gz GYRZHEJVQFDMSI-MRXNPFEDSA-N 0 0 408.214 4.042 20 30 HIEDRN N#C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000505965952 914626128 /nfs/dbraw/zinc/62/61/28/914626128.db2.gz MGKHJRRIUVDKJD-KRWDZBQOSA-N 0 0 414.387 4.058 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)C2)n1 ZINC000487931321 902461323 /nfs/dbraw/zinc/46/13/23/902461323.db2.gz HNJQHGDNYADNRF-IBGZPJMESA-N 0 0 404.514 4.346 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1noc(-c2ccccc2)n1 ZINC000487965254 902490316 /nfs/dbraw/zinc/49/03/16/902490316.db2.gz DKYSKJDQHOOYJB-NSHDSACASA-N 0 0 412.247 4.253 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)C2)nc1 ZINC000487984562 902505997 /nfs/dbraw/zinc/50/59/97/902505997.db2.gz ZHEWVGWHWQUBDU-GMAHTHKFSA-N 0 0 416.456 4.045 20 30 HIEDRN CN(Cc1ccc(Br)o1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487983124 902506342 /nfs/dbraw/zinc/50/63/42/902506342.db2.gz JXVAWGOTWBXDKM-UHFFFAOYSA-N 0 0 413.069 4.340 20 30 HIEDRN Cc1nc2cc(F)cc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2nc1C ZINC000505969677 914631563 /nfs/dbraw/zinc/63/15/63/914631563.db2.gz BYERENJVFMQESV-QGZVFWFLSA-N 0 0 402.351 4.399 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cc1Br ZINC000487993628 902516000 /nfs/dbraw/zinc/51/60/00/902516000.db2.gz NQDUMKWZEGEMDO-INIZCTEOSA-N 0 0 414.303 4.391 20 30 HIEDRN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487998676 902520859 /nfs/dbraw/zinc/52/08/59/902520859.db2.gz ZNONRTFQIATOKK-KZULUSFZSA-N 0 0 400.276 4.177 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1Br ZINC000488004899 902524710 /nfs/dbraw/zinc/52/47/10/902524710.db2.gz HMGGEDMMZAOMMW-IRXDYDNUSA-N 0 0 422.229 4.251 20 30 HIEDRN CCOC(=O)c1cc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000505969943 914632952 /nfs/dbraw/zinc/63/29/52/914632952.db2.gz DVGYYFLTUWQBHX-MRXNPFEDSA-N 0 0 422.224 4.073 20 30 HIEDRN COC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1C ZINC000488008024 902527110 /nfs/dbraw/zinc/52/71/10/902527110.db2.gz GAZKWFCGOSSVEW-UHFFFAOYSA-N 0 0 419.456 4.272 20 30 HIEDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000488007447 902527736 /nfs/dbraw/zinc/52/77/36/902527736.db2.gz OWFDLXRNJSNROO-INIZCTEOSA-N 0 0 402.296 4.296 20 30 HIEDRN C=CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000488023877 902542856 /nfs/dbraw/zinc/54/28/56/902542856.db2.gz NORRQVAJYVYOFB-YOEHRIQHSA-N 0 0 424.471 4.288 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 ZINC000505976241 914638685 /nfs/dbraw/zinc/63/86/85/914638685.db2.gz KZOADGQXILFOCV-GFCCVEGCSA-N 0 0 403.223 4.453 20 30 HIEDRN CCO[C@H](C)c1nc(CN2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cs1 ZINC000488072929 902583513 /nfs/dbraw/zinc/58/35/13/902583513.db2.gz VYXHZDBZZDYHIR-QGZVFWFLSA-N 0 0 421.570 4.291 20 30 HIEDRN COc1cc(Br)ccc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000505977286 914640062 /nfs/dbraw/zinc/64/00/62/914640062.db2.gz RMJJAHVJLOHFNG-AWEZNQCLSA-N 0 0 413.193 4.471 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCN(C(=O)c4cc5occc5s4)CC3)c2c1 ZINC000488086414 902592830 /nfs/dbraw/zinc/59/28/30/902592830.db2.gz JSAIGOYJWMVKQV-UHFFFAOYSA-N 0 0 402.479 4.185 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)c2c1 ZINC000488092833 902597083 /nfs/dbraw/zinc/59/70/83/902597083.db2.gz RYLJHGVOXGSVBD-HNNXBMFYSA-N 0 0 405.889 4.318 20 30 HIEDRN N#CCc1ccc(NC(=O)CNc2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 ZINC000488129483 902626167 /nfs/dbraw/zinc/62/61/67/902626167.db2.gz BWEDOJYDDNWOQG-IBGZPJMESA-N 0 0 413.905 4.405 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 ZINC000505980347 914643984 /nfs/dbraw/zinc/64/39/84/914643984.db2.gz AHLCIYNXDGTTIH-ZDUSSCGKSA-N 0 0 403.282 4.036 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CNc2cc3c(cc2F)NC(=O)CC3)ccc1Cl ZINC000488182116 902670059 /nfs/dbraw/zinc/67/00/59/902670059.db2.gz LQTNDSHHKDLFEI-UHFFFAOYSA-N 0 0 414.868 4.031 20 30 HIEDRN N#CCCN(C(=O)CNc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccccc1 ZINC000488182589 902670098 /nfs/dbraw/zinc/67/00/98/902670098.db2.gz KYBXKRADUSYCNW-QGZVFWFLSA-N 0 0 413.905 4.114 20 30 HIEDRN N#Cc1c(F)cccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000488212417 902694742 /nfs/dbraw/zinc/69/47/42/902694742.db2.gz BRAKEDRGFYCZIY-CQSZACIVSA-N 0 0 400.504 4.489 20 30 HIEDRN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488254400 902727575 /nfs/dbraw/zinc/72/75/75/902727575.db2.gz MUWILAHJYJPENS-DHIUTWEWSA-N 0 0 418.541 4.006 20 30 HIEDRN CCOc1ccc(NC(=O)COc2c(C#N)cnc3ccc(C)cc32)cc1OCC ZINC000488259359 902732054 /nfs/dbraw/zinc/73/20/54/902732054.db2.gz AVTVNJJUEIGURE-UHFFFAOYSA-N 0 0 405.454 4.230 20 30 HIEDRN Cc1cc(NC(=O)COc2c(C#N)cnc3ccc(C)cc32)n(-c2ccc(C)cc2)n1 ZINC000488282308 902745121 /nfs/dbraw/zinc/74/51/21/902745121.db2.gz USNNJLHDUHMSQG-UHFFFAOYSA-N 0 0 411.465 4.235 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)cc1Cl ZINC000488283934 902746906 /nfs/dbraw/zinc/74/69/06/902746906.db2.gz YEXCHOCBACKWRA-FQEVSTJZSA-N 0 0 417.896 4.293 20 30 HIEDRN C=CCn1c(SC[C@H](O)CSC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000488346144 902779320 /nfs/dbraw/zinc/77/93/20/902779320.db2.gz KSFJBTQJGZNAQK-OAHLLOKOSA-N 0 0 418.609 4.435 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000488373677 902787238 /nfs/dbraw/zinc/78/72/38/902787238.db2.gz ODQOZYIQHCSSGP-IBGZPJMESA-N 0 0 401.894 4.107 20 30 HIEDRN C=CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)c1ccccc1 ZINC000488387964 902798103 /nfs/dbraw/zinc/79/81/03/902798103.db2.gz IVFOSPADWKEUMN-IFMALSPDSA-N 0 0 413.539 4.328 20 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HIEDRN C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000488845696 903039685 /nfs/dbraw/zinc/03/96/85/903039685.db2.gz ZTJMFHVRNYEPDF-HXUWFJFHSA-N 0 0 410.539 4.009 20 30 HIEDRN C=C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000488856960 903043177 /nfs/dbraw/zinc/04/31/77/903043177.db2.gz PZAHEISVYLOGFR-SFHVURJKSA-N 0 0 408.527 4.246 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 ZINC000488864927 903048637 /nfs/dbraw/zinc/04/86/37/903048637.db2.gz ZVZLQOQOXGUFHM-GOSISDBHSA-N 0 0 413.481 4.315 20 30 HIEDRN COCCN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@H]1CCO[C@@H]1C ZINC000488879562 903056015 /nfs/dbraw/zinc/05/60/15/903056015.db2.gz KOQULLDDFMHXRF-QRWLVFNGSA-N 0 0 414.889 4.270 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccn1 ZINC000488906141 903069791 /nfs/dbraw/zinc/06/97/91/903069791.db2.gz FYXMZNHIPMAWJO-HNNXBMFYSA-N 0 0 409.515 4.037 20 30 HIEDRN C=CCn1c(S[C@@H](C)C(=O)N(C)Cc2ccccc2)nnc1-c1cccc(OC)c1 ZINC000488905213 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HIEDRN N#Cc1cc(NC(=O)[C@]2(O)CCSC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000498318373 907837124 /nfs/dbraw/zinc/83/71/24/907837124.db2.gz XUHVYZLELPPSIK-SFHVURJKSA-N 0 0 408.401 4.176 20 30 HIEDRN CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000498361789 907858041 /nfs/dbraw/zinc/85/80/41/907858041.db2.gz WWEJYXYFTYTSMW-INIZCTEOSA-N 0 0 402.491 4.126 20 30 HIEDRN C=CCOc1ccccc1C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000498367413 907860808 /nfs/dbraw/zinc/86/08/08/907860808.db2.gz LODZEFODYLNGAR-UHFFFAOYSA-N 0 0 414.508 4.031 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1 ZINC000498372892 907863697 /nfs/dbraw/zinc/86/36/97/907863697.db2.gz AYBLTSDMWTUHDS-UHFFFAOYSA-N 0 0 417.556 4.132 20 30 HIEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000498376130 907866040 /nfs/dbraw/zinc/86/60/40/907866040.db2.gz YMRKTHYRABLKIY-UHFFFAOYSA-N 0 0 401.510 4.341 20 30 HIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)Oc1cccc(OC)c1 ZINC000498402236 907883119 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Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000513379835 921753251 /nfs/dbraw/zinc/75/32/51/921753251.db2.gz YDWOBPBMUBVAAX-UHFFFAOYSA-N 0 0 417.490 4.313 20 30 HIEDRN CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000506598846 915247215 /nfs/dbraw/zinc/24/72/15/915247215.db2.gz DPXUBDLIKFCZMU-UGSOOPFHSA-N 0 0 401.894 4.297 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1CC#Cc1ccc(Cl)cc1 ZINC000506604031 915255027 /nfs/dbraw/zinc/25/50/27/915255027.db2.gz RHKLRKBVKQVAJQ-SFHVURJKSA-N 0 0 411.855 4.141 20 30 HIEDRN N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(Sc3ccc(Cl)cc3)c2)CC1 ZINC000506608818 915261084 /nfs/dbraw/zinc/26/10/84/915261084.db2.gz JNLDOOCRTVGEDK-UHFFFAOYSA-N 0 0 417.893 4.284 20 30 HIEDRN CC[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(F)cc1F ZINC000513386972 921759004 /nfs/dbraw/zinc/75/90/04/921759004.db2.gz SUUHUMDVEDPPCS-HXUWFJFHSA-N 0 0 401.432 4.459 20 30 HIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1Cc1ccccc1C(C)(C)C#N ZINC000506621935 915283451 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HSYOAXCWKACSCX-SFHVURJKSA-N 0 0 402.498 4.009 20 30 HIEDRN N#Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1Cl ZINC000543631326 940142418 /nfs/dbraw/zinc/14/24/18/940142418.db2.gz HROXQDQZXDRMJD-UHFFFAOYSA-N 0 0 422.699 4.117 20 30 HIEDRN C=CCn1c(SC[C@@H](O)COc2cc(C)ccc2Cl)nnc1-c1ccccn1 ZINC000543664514 940154687 /nfs/dbraw/zinc/15/46/87/940154687.db2.gz YASRVIKHAZOFTE-HNNXBMFYSA-N 0 0 416.934 4.020 20 30 HIEDRN C=CCSCCNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000543746659 940174651 /nfs/dbraw/zinc/17/46/51/940174651.db2.gz XCPUPFGAUKXPRE-OAHLLOKOSA-N 0 0 401.507 4.357 20 30 HIEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000543753412 940175488 /nfs/dbraw/zinc/17/54/88/940175488.db2.gz OUOQPRRKBCONEZ-LJQANCHMSA-N 0 0 414.941 4.022 20 30 HIEDRN Cc1ccccc1[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCC[C@@H](C)C1 ZINC000543757479 940176800 /nfs/dbraw/zinc/17/68/00/940176800.db2.gz HJBNYNWPVGVADD-TVTNDZMWSA-N 0 0 422.577 4.314 20 30 HIEDRN CC(C)c1ccc(C2(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CCCC2)cc1 ZINC000543757620 940177094 /nfs/dbraw/zinc/17/70/94/940177094.db2.gz VHTINCJZUMLSLN-UHFFFAOYSA-N 0 0 422.577 4.073 20 30 HIEDRN C=CCOc1ccc(CN[C@@H](CCO)c2ccccc2Br)cc1OC ZINC000543764690 940178928 /nfs/dbraw/zinc/17/89/28/940178928.db2.gz XZCLEHVSQLXFTQ-SFHVURJKSA-N 0 0 406.320 4.236 20 30 HIEDRN CO[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(Cl)c1 ZINC000543767521 940180192 /nfs/dbraw/zinc/18/01/92/940180192.db2.gz JZZSXICXCINWNH-SFHVURJKSA-N 0 0 413.840 4.046 20 30 HIEDRN N#Cc1ccc(Oc2ncnc3sc4c(c32)CCC4)c(I)c1 ZINC000543779041 940184934 /nfs/dbraw/zinc/18/49/34/940184934.db2.gz BBTBHNMFQBBTGP-UHFFFAOYSA-N 0 0 419.247 4.449 20 30 HIEDRN C[C@H]1CC[C@@]2(CCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)C1 ZINC000543795939 940189487 /nfs/dbraw/zinc/18/94/87/940189487.db2.gz FDSKHNVDWMMYME-QMHKHESXSA-N 0 0 408.502 4.061 20 30 HIEDRN Cc1cc(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)nn1-c1cccc(C#N)c1 ZINC000543794917 940189503 /nfs/dbraw/zinc/18/95/03/940189503.db2.gz VUGTWBBIYMBHQT-HXUWFJFHSA-N 0 0 416.378 4.399 20 30 HIEDRN N#CCCN(C(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccccc1 ZINC000543806463 940191935 /nfs/dbraw/zinc/19/19/35/940191935.db2.gz CXNCZMQBHYRVGK-HXUWFJFHSA-N 0 0 417.431 4.026 20 30 HIEDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543856605 940211660 /nfs/dbraw/zinc/21/16/60/940211660.db2.gz JUOJYEHHQFTUCS-NSHDSACASA-N 0 0 402.788 4.082 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)c(F)c1 ZINC000543857268 940211862 /nfs/dbraw/zinc/21/18/62/940211862.db2.gz BYMJCMMJFCRZKZ-UHFFFAOYSA-N 0 0 412.428 4.198 20 30 HIEDRN C[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543857329 940211990 /nfs/dbraw/zinc/21/19/90/940211990.db2.gz FSJIMSGKIOKMJN-SFHVURJKSA-N 0 0 420.472 4.471 20 30 HIEDRN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543857699 940212534 /nfs/dbraw/zinc/21/25/34/940212534.db2.gz INJNXBZJBMEAKC-DLBZAZTESA-N 0 0 424.504 4.493 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000543862798 940214617 /nfs/dbraw/zinc/21/46/17/940214617.db2.gz PDJKBNPTEWQYAF-LJQANCHMSA-N 0 0 405.889 4.003 20 30 HIEDRN N#Cc1ccc(-n2ccc(N[C@H]3CCN(c4ccccc4Cl)C3=O)n2)c(Cl)c1 ZINC000543862147 940214721 /nfs/dbraw/zinc/21/47/21/940214721.db2.gz RXCSUBOHDITXHC-INIZCTEOSA-N 0 0 412.280 4.268 20 30 HIEDRN FC(F)(F)Cc1noc(CN[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)n1 ZINC000543871931 940218584 /nfs/dbraw/zinc/21/85/84/940218584.db2.gz GQIYDFCSHPCMRR-NSHDSACASA-N 0 0 423.235 4.466 20 30 HIEDRN Cc1onc(-c2ccccn2)c1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543872148 940218716 /nfs/dbraw/zinc/21/87/16/940218716.db2.gz MOTARQVPAZWYGR-UHFFFAOYSA-N 0 0 404.817 4.008 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CCOC4(C3)CCCCCC4)n2)c(Cl)c1 ZINC000543884548 940225429 /nfs/dbraw/zinc/22/54/29/940225429.db2.gz DNAVWJBVPAUKLS-UHFFFAOYSA-N 0 0 413.909 4.354 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H](c3ccco3)c3ccccc3)n2)c(F)c1 ZINC000543885493 940225462 /nfs/dbraw/zinc/22/54/62/940225462.db2.gz XPVHCZWDKIVSFQ-OAQYLSRUSA-N 0 0 401.401 4.387 20 30 HIEDRN COc1ccc([C@@H](C)NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1F ZINC000543886379 940226113 /nfs/dbraw/zinc/22/61/13/940226113.db2.gz HILOIJSNKCPXKP-GFCCVEGCSA-N 0 0 413.840 4.428 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H](CCCO)c2ccccc2)n1 ZINC000543886814 940226443 /nfs/dbraw/zinc/22/64/43/940226443.db2.gz RHNYKSMTJRBLCR-GOSISDBHSA-N 0 0 409.877 4.033 20 30 HIEDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000543888217 940227075 /nfs/dbraw/zinc/22/70/75/940227075.db2.gz DNSZFIDBBZJFJI-CYBMUJFWSA-N 0 0 422.876 4.238 20 30 HIEDRN CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000543888294 940227229 /nfs/dbraw/zinc/22/72/29/940227229.db2.gz HWIFHJPGHMZUKP-QGZVFWFLSA-N 0 0 401.898 4.066 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)n2)c(F)c1 ZINC000543888614 940227285 /nfs/dbraw/zinc/22/72/85/940227285.db2.gz UWJZGTVCLOCLAP-UYAOXDASSA-N 0 0 414.444 4.187 20 30 HIEDRN Cc1ccc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1OC(F)F ZINC000543889878 940227972 /nfs/dbraw/zinc/22/79/72/940227972.db2.gz HCYXXDDUWFDHOJ-UHFFFAOYSA-N 0 0 401.348 4.437 20 30 HIEDRN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1(C)C ZINC000543889931 940228184 /nfs/dbraw/zinc/22/81/84/940228184.db2.gz WRDOJUVVDRYESX-IAGOWNOFSA-N 0 0 401.898 4.065 20 30 HIEDRN C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543896752 940231270 /nfs/dbraw/zinc/23/12/70/940231270.db2.gz FDFXEHPKYQLRSA-SFHVURJKSA-N 0 0 422.488 4.203 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3Br)n2)c(Cl)c1 ZINC000543896773 940231283 /nfs/dbraw/zinc/23/12/83/940231283.db2.gz XRKZYTYHFCNVEF-UHFFFAOYSA-N 0 0 401.651 4.412 20 30 HIEDRN C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543896749 940231303 /nfs/dbraw/zinc/23/13/03/940231303.db2.gz FDFXEHPKYQLRSA-GOSISDBHSA-N 0 0 422.488 4.203 20 30 HIEDRN COC(=O)COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000543895963 940231458 /nfs/dbraw/zinc/23/14/58/940231458.db2.gz HFKCQEIZFFGTER-KRWDZBQOSA-N 0 0 414.461 4.268 20 30 HIEDRN CCO[C@@H](C)c1ncc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)s1 ZINC000543898479 940232268 /nfs/dbraw/zinc/23/22/68/940232268.db2.gz DGQFNPNPOHJCHE-NSHDSACASA-N 0 0 401.879 4.204 20 30 HIEDRN C[C@@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543902463 940233480 /nfs/dbraw/zinc/23/34/80/940233480.db2.gz BIWXLDKMZGBYTE-QRWLVFNGSA-N 0 0 416.447 4.222 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000563823939 945305475 /nfs/dbraw/zinc/30/54/75/945305475.db2.gz KTHAJGOBLRQXJH-NRFANRHFSA-N 0 0 423.488 4.458 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(F)c1 ZINC000543923660 940248022 /nfs/dbraw/zinc/24/80/22/940248022.db2.gz YASFUDOHYMUMJN-MRXNPFEDSA-N 0 0 401.441 4.489 20 30 HIEDRN CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)OC)c2ccccc2C(F)(F)F)n1 ZINC000543960429 940271617 /nfs/dbraw/zinc/27/16/17/940271617.db2.gz VPTMAFLQQIUDIV-HNNXBMFYSA-N 0 0 424.400 4.155 20 30 HIEDRN C=CCNC(=O)CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543980957 940282443 /nfs/dbraw/zinc/28/24/43/940282443.db2.gz VEXIZYUHKDZIOY-GFCCVEGCSA-N 0 0 408.264 4.219 20 30 HIEDRN CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000544061510 940314532 /nfs/dbraw/zinc/31/45/32/940314532.db2.gz KAKLVJVHYUNIDD-UHFFFAOYSA-N 0 0 424.844 4.166 20 30 HIEDRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000544079040 940319632 /nfs/dbraw/zinc/31/96/32/940319632.db2.gz JWRVLIWFJNQAJD-CYBMUJFWSA-N 0 0 401.875 4.132 20 30 HIEDRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000544079041 940319791 /nfs/dbraw/zinc/31/97/91/940319791.db2.gz JWRVLIWFJNQAJD-ZDUSSCGKSA-N 0 0 401.875 4.132 20 30 HIEDRN COCCOc1ccc(C#N)cc1NCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000544081248 940320386 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COc1cc(Br)c(Cc2noc(-c3cc(C#N)cs3)n2)cc1OC ZINC000546244516 940745008 /nfs/dbraw/zinc/74/50/08/940745008.db2.gz AQZJJCOVYZPPFY-UHFFFAOYSA-N 0 0 406.261 4.040 20 30 HIEDRN COc1cc(C#N)ccc1OCc1nc(Cc2csc(-c3ccccc3)n2)no1 ZINC000546247067 940746649 /nfs/dbraw/zinc/74/66/49/940746649.db2.gz JYRLHFKGBUEYDS-UHFFFAOYSA-N 0 0 404.451 4.243 20 30 HIEDRN N#Cc1cccc(-c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)c1 ZINC000546249303 940747811 /nfs/dbraw/zinc/74/78/11/940747811.db2.gz NXJWWCCFLJVYTF-UHFFFAOYSA-N 0 0 412.453 4.172 20 30 HIEDRN N#Cc1ccc(CNc2ccc(CN3C(=O)CCCC3=O)cc2)c(C(F)(F)F)c1 ZINC000564011508 945348584 /nfs/dbraw/zinc/34/85/84/945348584.db2.gz LFAFRSFPCRYDIU-UHFFFAOYSA-N 0 0 401.388 4.228 20 30 HIEDRN N#CC1(c2ccc(-c3nc(Cc4cc5c(cc4Br)OCO5)no3)cc2)CC1 ZINC000546384733 940807255 /nfs/dbraw/zinc/80/72/55/940807255.db2.gz IAFVUIJZBBVNFI-UHFFFAOYSA-N 0 0 424.254 4.374 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Oc3cccnc3)cc2)no1 ZINC000546390152 940808772 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COc1cc(-c2noc(CSc3ccc(C#N)cc3)n2)ccc1OC[C@@H]1CCCO1 ZINC000546991376 940945076 /nfs/dbraw/zinc/94/50/76/940945076.db2.gz DXZNOWYSMYLAQM-KRWDZBQOSA-N 0 0 423.494 4.467 20 30 HIEDRN C=CCc1ccc(OCc2nc(Cc3ccc(-n4cccn4)cc3)no2)c(OC)c1 ZINC000547017997 940959323 /nfs/dbraw/zinc/95/93/23/940959323.db2.gz WFLZBZUJXBBJKD-UHFFFAOYSA-N 0 0 402.454 4.162 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc([C@H](C)Oc3ccc(CCC(C)=O)cc3)n2)c1 ZINC000547062543 940980103 /nfs/dbraw/zinc/98/01/03/940980103.db2.gz PZBAGRIBBTXCBH-KRWDZBQOSA-N 0 0 419.481 4.314 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(CCCc3ncc(-c4ccccc4)o3)n2)c1 ZINC000547071687 940983466 /nfs/dbraw/zinc/98/34/66/940983466.db2.gz FJZWIVYJGFTQEH-UHFFFAOYSA-N 0 0 414.465 4.483 20 30 HIEDRN C=C(C)Cn1c(SCc2nc(-c3ncccc3CC)no2)nnc1-c1ccco1 ZINC000547126404 941004823 /nfs/dbraw/zinc/00/48/23/941004823.db2.gz NGTLNFPIKXXGLX-UHFFFAOYSA-N 0 0 408.487 4.414 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(-c2nc(-c3cccc(-n4cccn4)n3)no2)o1 ZINC000547161967 941016491 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Cc1nc(-c2nc(-c3ccc(Br)cc3OC(F)F)no2)ccc1C#N ZINC000547267287 941048815 /nfs/dbraw/zinc/04/88/15/941048815.db2.gz LVBWDBNVQUJSEI-UHFFFAOYSA-N 0 0 407.174 4.343 20 30 HIEDRN COc1cc(C#N)ccc1NC(=O)C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC000547417754 941061672 /nfs/dbraw/zinc/06/16/72/941061672.db2.gz XFFICEQEFPIYAI-UHFFFAOYSA-N 0 0 419.525 4.041 20 30 HIEDRN C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000547773790 941075323 /nfs/dbraw/zinc/07/53/23/941075323.db2.gz REBSFMQURFROEM-KRWDZBQOSA-N 0 0 403.507 4.140 20 30 HIEDRN Cc1ccc([C@H]2COCCN2C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)o1 ZINC000547827044 941077356 /nfs/dbraw/zinc/07/73/56/941077356.db2.gz ISUHYHIHQDHLOA-GOSISDBHSA-N 0 0 408.483 4.112 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1Cl ZINC000547954971 941080391 /nfs/dbraw/zinc/08/03/91/941080391.db2.gz RKXOTLTZRRMBAS-UHFFFAOYSA-N 0 0 414.845 4.436 20 30 HIEDRN CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000547954133 941080411 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CC(=O)CCc1ccc2oc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)c(C)c2c1 ZINC000548071472 941085295 /nfs/dbraw/zinc/08/52/95/941085295.db2.gz GEPBRTVDQHFCGR-ZJSXRUAMSA-N 0 0 408.498 4.330 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)ccc1OCCC(C)C ZINC000548072831 941085635 /nfs/dbraw/zinc/08/56/35/941085635.db2.gz LXMMNPOIEGLNIU-FYYLOGMGSA-N 0 0 400.519 4.188 20 30 HIEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000548170474 941090416 /nfs/dbraw/zinc/09/04/16/941090416.db2.gz WSQGZIAEEVTUBH-IBGZPJMESA-N 0 0 402.420 4.084 20 30 HIEDRN N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)cc1Cl ZINC000548279291 941093361 /nfs/dbraw/zinc/09/33/61/941093361.db2.gz XZQUABKNMKYRNH-UHFFFAOYSA-N 0 0 402.639 4.012 20 30 HIEDRN C[C@@H]1[C@H](C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1(F)F ZINC000548313729 941095502 /nfs/dbraw/zinc/09/55/02/941095502.db2.gz UFHGKGMJSOZCSG-RDDDGLTNSA-N 0 0 407.257 4.409 20 30 HIEDRN CC(=O)N(c1nc(Cn2c(C)nc(C#N)c2C#N)cs1)c1c(C)cc(C)cc1Cl ZINC000548318413 941095854 /nfs/dbraw/zinc/09/58/54/941095854.db2.gz AUNISOLNMNGGTQ-UHFFFAOYSA-N 0 0 424.917 4.395 20 30 HIEDRN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000548402668 941100037 /nfs/dbraw/zinc/10/00/37/941100037.db2.gz FMIHZBCRRCUXRC-JKSUJKDBSA-N 0 0 411.456 4.417 20 30 HIEDRN N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1Cl ZINC000548632911 941116917 /nfs/dbraw/zinc/11/69/17/941116917.db2.gz OLJXLDZYLPUKIJ-QGZVFWFLSA-N 0 0 405.679 4.188 20 30 HIEDRN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)s2)cc1 ZINC000548728086 941121790 /nfs/dbraw/zinc/12/17/90/941121790.db2.gz BLSPHFSDKPORAS-XMSQKQJNSA-N 0 0 411.527 4.195 20 30 HIEDRN COc1cc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc(OC)c1C(C)C ZINC000548809868 941124907 /nfs/dbraw/zinc/12/49/07/941124907.db2.gz JOVWCQVVBXLOEA-UHFFFAOYSA-N 0 0 408.502 4.311 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000548808675 941124983 /nfs/dbraw/zinc/12/49/83/941124983.db2.gz WBIXCRXLJKXTHL-UHFFFAOYSA-N 0 0 422.382 4.251 20 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HIEDRN C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N(C)Cc1cnc(C)s1 ZINC000549734438 941206024 /nfs/dbraw/zinc/20/60/24/941206024.db2.gz AKFVKKSISNZJNK-UHFFFAOYSA-N 0 0 408.575 4.208 20 30 HIEDRN Cc1ccc([C@@H](OC[C@@H](O)COc2ccc(C#N)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000549781967 941207274 /nfs/dbraw/zinc/20/72/74/941207274.db2.gz BCXGGKNGPZXNIK-URXFXBBRSA-N 0 0 418.449 4.321 20 30 HIEDRN CCOCCCn1c(-c2ccc(C)c(F)c2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC000549792616 941207593 /nfs/dbraw/zinc/20/75/93/941207593.db2.gz UWVYONFITIVJQZ-UHFFFAOYSA-N 0 0 407.493 4.327 20 30 HIEDRN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC000549838873 941210553 /nfs/dbraw/zinc/21/05/53/941210553.db2.gz WNUPGJKOAZUIED-UHFFFAOYSA-N 0 0 409.925 4.164 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)c2ncc(C#N)cc2C)ccc1OCc1ccccc1 ZINC000549903429 941234510 /nfs/dbraw/zinc/23/45/10/941234510.db2.gz MXBYVKGRNLFXLB-QGZVFWFLSA-N 0 0 401.466 4.340 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000549920544 941238979 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C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccc(N2CCCC2)c1 ZINC000550543440 941336876 /nfs/dbraw/zinc/33/68/76/941336876.db2.gz LNHZGQJKEINVGR-OAHLLOKOSA-N 0 0 424.570 4.333 20 30 HIEDRN C[C@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000550558404 941338390 /nfs/dbraw/zinc/33/83/90/941338390.db2.gz UAULEMYNMZBDHZ-NHYWBVRUSA-N 0 0 407.417 4.187 20 30 HIEDRN CC(C)(NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1cccc(C(F)(F)F)c1 ZINC000550576783 941341262 /nfs/dbraw/zinc/34/12/62/941341262.db2.gz CLMDCMZZGAGSEQ-UHFFFAOYSA-N 0 0 413.403 4.010 20 30 HIEDRN CCC[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000550583561 941342082 /nfs/dbraw/zinc/34/20/82/941342082.db2.gz SDDLNDLOCIJGIM-KUHUBIRLSA-N 0 0 417.431 4.412 20 30 HIEDRN COc1ccc([C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C(C)C)cc1 ZINC000550597119 941344266 /nfs/dbraw/zinc/34/42/66/941344266.db2.gz ISJVCJVGXYLPON-SFHVURJKSA-N 0 0 413.543 4.378 20 30 HIEDRN C=CCN(CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)Cc1ccc(OC)cc1 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424.403 4.222 20 30 HIEDRN C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C(F)(F)F ZINC000551009402 941394511 /nfs/dbraw/zinc/39/45/11/941394511.db2.gz HXQXVWYOJOWUKS-ZDUSSCGKSA-N 0 0 413.465 4.463 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)F)c1)c1ccccc1 ZINC000551108133 941411712 /nfs/dbraw/zinc/41/17/12/941411712.db2.gz CYYYPHPFLBXRRJ-DNVCBOLYSA-N 0 0 402.441 4.289 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cccc(OCc4ccccc4)n3)no2)cc1 ZINC000551112859 941412089 /nfs/dbraw/zinc/41/20/89/941412089.db2.gz WSSJWYPDWYFZLI-FQEVSTJZSA-N 0 0 407.433 4.432 20 30 HIEDRN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000551169562 941421628 /nfs/dbraw/zinc/42/16/28/941421628.db2.gz RLZGCCQXFGIJHA-UHFFFAOYSA-N 0 0 421.328 4.427 20 30 HIEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000551206031 941426985 /nfs/dbraw/zinc/42/69/85/941426985.db2.gz VPVNBMYSUWJVIM-IBGZPJMESA-N 0 0 410.474 4.003 20 30 HIEDRN N#Cc1cccc(C2(NS(=O)(=O)c3cc(Br)sc3Cl)CC2)c1 ZINC000551221954 941430399 /nfs/dbraw/zinc/43/03/99/941430399.db2.gz CQSLGJSHQFDDPH-UHFFFAOYSA-N 0 0 417.737 4.003 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000551229067 941431317 /nfs/dbraw/zinc/43/13/17/941431317.db2.gz QNWGSCVKMFJPLR-MRXNPFEDSA-N 0 0 401.495 4.144 20 30 HIEDRN COc1cc(OC)cc(Oc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)c1 ZINC000551270441 941441101 /nfs/dbraw/zinc/44/11/01/941441101.db2.gz IQUGTCDBGXSYGP-UHFFFAOYSA-N 0 0 417.465 4.367 20 30 HIEDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000551325570 941452477 /nfs/dbraw/zinc/45/24/77/941452477.db2.gz HRIRKHNRIQQUAN-UHFFFAOYSA-N 0 0 423.904 4.380 20 30 HIEDRN CCCCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1C#N ZINC000551335755 941455010 /nfs/dbraw/zinc/45/50/10/941455010.db2.gz IUFDQFNWDLUJDR-NRFANRHFSA-N 0 0 407.539 4.183 20 30 HIEDRN CN(C)c1cc(C#N)cc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)c1 ZINC000551337575 941455483 /nfs/dbraw/zinc/45/54/83/941455483.db2.gz LDYHVSCSJDAIKG-UHFFFAOYSA-N 0 0 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ZINC000558110759 943382915 /nfs/dbraw/zinc/38/29/15/943382915.db2.gz SJNVQLRLLIEIPW-UHFFFAOYSA-N 0 0 406.429 4.203 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000558139982 943393968 /nfs/dbraw/zinc/39/39/68/943393968.db2.gz ISHVGEFOZVZGIH-UHFFFAOYSA-N 0 0 410.905 4.025 20 30 HIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000558139387 943394060 /nfs/dbraw/zinc/39/40/60/943394060.db2.gz RIJIGUDPYKDULH-JKSUJKDBSA-N 0 0 412.494 4.108 20 30 HIEDRN Cc1nn(Cc2ccc(C(=O)N(CCC#N)c3ccc(F)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000558145647 943395977 /nfs/dbraw/zinc/39/59/77/943395977.db2.gz PYBFAPRBVQVAKG-UHFFFAOYSA-N 0 0 421.432 4.156 20 30 HIEDRN CC(C)n1cnnc1CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000558162344 943402312 /nfs/dbraw/zinc/40/23/12/943402312.db2.gz GULGWYJODGENCB-UHFFFAOYSA-N 0 0 405.527 4.295 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000558175162 943410661 /nfs/dbraw/zinc/41/06/61/943410661.db2.gz 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N#Cc1cc(Oc2ccc(NC(=O)Nc3ccn(Cc4ccccc4)n3)cc2)ccn1 ZINC000558511698 943581962 /nfs/dbraw/zinc/58/19/62/943581962.db2.gz PRRKAVXBKDOYRU-UHFFFAOYSA-N 0 0 410.437 4.634 20 30 HIEDRN N#Cc1cccc(NC(=O)C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000558534105 943590892 /nfs/dbraw/zinc/59/08/92/943590892.db2.gz WCQUXSLPWGZMAB-UHFFFAOYSA-N 0 0 401.388 4.101 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000558591643 943612095 /nfs/dbraw/zinc/61/20/95/943612095.db2.gz DKEAZTDKNJEONG-UHFFFAOYSA-N 0 0 415.468 4.497 20 30 HIEDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558594217 943612746 /nfs/dbraw/zinc/61/27/46/943612746.db2.gz KSKVLDMWBWEJHJ-UHFFFAOYSA-N 0 0 406.486 4.350 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000558594241 943612779 /nfs/dbraw/zinc/61/27/79/943612779.db2.gz NGONGPBZUNLRFS-UHFFFAOYSA-N 0 0 410.271 4.288 20 30 HIEDRN Cc1cccc([C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C(F)(F)F)c1 ZINC000558637699 943622996 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410.861 4.191 20 30 HIEDRN Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000303663419 855116149 /nfs/dbraw/zinc/11/61/49/855116149.db2.gz WYWXFTAICFWWGZ-UHFFFAOYSA-N 0 0 413.477 4.123 20 30 HIEDRN O=C(NCCCOc1ccc(F)cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303663707 855116204 /nfs/dbraw/zinc/11/62/04/855116204.db2.gz IAVDTYCDAVYCPK-UHFFFAOYSA-N 0 0 402.310 4.121 20 30 HIEDRN COC(=O)CCCCCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000303677488 855126124 /nfs/dbraw/zinc/12/61/24/855126124.db2.gz QSQIFEIDAMWKBK-UHFFFAOYSA-N 0 0 400.862 4.467 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303712998 855146513 /nfs/dbraw/zinc/14/65/13/855146513.db2.gz UQFRTJMACLYBLD-AWEZNQCLSA-N 0 0 408.342 4.305 20 30 HIEDRN Cn1c(CCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)nc2ccccc21 ZINC000303720753 855149799 /nfs/dbraw/zinc/14/97/99/855149799.db2.gz RRCXWLPDSZLHGR-UHFFFAOYSA-N 0 0 424.504 4.387 20 30 HIEDRN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000303770687 855187747 /nfs/dbraw/zinc/18/77/47/855187747.db2.gz FKGDMQNWPSXPAG-OAQYLSRUSA-N 0 0 402.498 4.121 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1Sc1ncc([N+](=O)[O-])cc1Cl ZINC000303822340 855223538 /nfs/dbraw/zinc/22/35/38/855223538.db2.gz XYVLSMOFMJFFRL-UHFFFAOYSA-N 0 0 421.841 4.290 20 30 HIEDRN C#CCOc1ccc(F)cc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000303836182 855234401 /nfs/dbraw/zinc/23/44/01/855234401.db2.gz CGRGMFDLEBTDPG-UHFFFAOYSA-N 0 0 418.453 4.399 20 30 HIEDRN N#Cc1ccc(-c2nnc(Cn3cnc4cc(-c5ccccc5)sc4c3=O)o2)cc1 ZINC000303837968 855236443 /nfs/dbraw/zinc/23/64/43/855236443.db2.gz BCPOLBDWWMURIL-UHFFFAOYSA-N 0 0 411.446 4.095 20 30 HIEDRN CCc1ccc(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000303865267 855258897 /nfs/dbraw/zinc/25/88/97/855258897.db2.gz PPZDBKGWKSYNOF-UHFFFAOYSA-N 0 0 413.477 4.210 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)s2)cc1 ZINC000303903312 855278211 /nfs/dbraw/zinc/27/82/11/855278211.db2.gz LRAIBWLFIQNKLL-RBUKOAKNSA-N 0 0 417.490 4.119 20 30 HIEDRN CCOc1ccc(-c2nc(C(=O)N(CCOC)c3ccc(C#N)cc3)cs2)cc1 ZINC000303904319 855279587 /nfs/dbraw/zinc/27/95/87/855279587.db2.gz LVKGAOHXNBGRTK-UHFFFAOYSA-N 0 0 407.495 4.374 20 30 HIEDRN C=CCn1c(SCCOc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000303943693 855307653 /nfs/dbraw/zinc/30/76/53/855307653.db2.gz UCGKKKJCDBVQHE-UHFFFAOYSA-N 0 0 412.471 4.219 20 30 HIEDRN C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(F)c(COCCOC)c2)c1 ZINC000304060233 855346964 /nfs/dbraw/zinc/34/69/64/855346964.db2.gz QPTUODPMRQMETD-UHFFFAOYSA-N 0 0 407.441 4.410 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1C#N ZINC000304099919 855354134 /nfs/dbraw/zinc/35/41/34/855354134.db2.gz YANCMBSYBBRDRI-LJQANCHMSA-N 0 0 408.461 4.074 20 30 HIEDRN Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1C#N ZINC000320317785 855388742 /nfs/dbraw/zinc/38/87/42/855388742.db2.gz GRJCMVJWHDZNFC-UHFFFAOYSA-N 0 0 421.103 4.132 20 30 HIEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000437374019 862676259 /nfs/dbraw/zinc/67/62/59/862676259.db2.gz POVJUFWJZONWPK-CYBMUJFWSA-N 0 0 401.388 4.268 20 30 HIEDRN N#CCCN(Cc1cccnc1)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000327138783 855415305 /nfs/dbraw/zinc/41/53/05/855415305.db2.gz NBEWYVKESOPGOB-UHFFFAOYSA-N 0 0 412.209 4.419 20 30 HIEDRN CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2OC)c(C#N)c1C ZINC000327352584 855416414 /nfs/dbraw/zinc/41/64/14/855416414.db2.gz GBZYFTNWXJQLST-UHFFFAOYSA-N 0 0 423.288 4.128 20 30 HIEDRN N#CCCN(C(=O)c1ccc(Cl)c(Br)c1)c1ccc2c(c1)OCCO2 ZINC000327860261 855420436 /nfs/dbraw/zinc/42/04/36/855420436.db2.gz OKSUVFUUDCKFKT-UHFFFAOYSA-N 0 0 421.678 4.434 20 30 HIEDRN Cc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000437374202 862677894 /nfs/dbraw/zinc/67/78/94/862677894.db2.gz OOQDVWVBSWBQOZ-UHFFFAOYSA-N 0 0 419.431 4.312 20 30 HIEDRN CC(C)(C#N)c1ccc(NC(=O)c2ccc(F)cc2I)cc1 ZINC000389889410 855452676 /nfs/dbraw/zinc/45/26/76/855452676.db2.gz NDHBHTMNQSVLNO-UHFFFAOYSA-N 0 0 408.214 4.484 20 30 HIEDRN CCc1cccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000437375420 862681429 /nfs/dbraw/zinc/68/14/29/862681429.db2.gz TVDAUNZRBNXVKO-UHFFFAOYSA-N 0 0 415.468 4.427 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)c1cc(Br)ccc1I ZINC000393788579 855468621 /nfs/dbraw/zinc/46/86/21/855468621.db2.gz SNIMOBSYIPYFDP-SNVBAGLBSA-N 0 0 408.077 4.138 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000437377751 862684795 /nfs/dbraw/zinc/68/47/95/862684795.db2.gz YBNHGVMUKCDMKA-UHFFFAOYSA-N 0 0 423.394 4.143 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000409471276 855497545 /nfs/dbraw/zinc/49/75/45/855497545.db2.gz QJPBNWZWHXWITE-UXHICEINSA-N 0 0 402.416 4.356 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccccc2)ccc1C(F)(F)F ZINC000409511561 855516086 /nfs/dbraw/zinc/51/60/86/855516086.db2.gz QJCYDKOCYURRTJ-INIZCTEOSA-N 0 0 422.428 4.003 20 30 HIEDRN Cn1c2ccc(C(=O)NCCSCc3ccccc3C#N)cc2nc1C(F)F ZINC000409575365 855547525 /nfs/dbraw/zinc/54/75/25/855547525.db2.gz JJLDLEIJNBMYMK-UHFFFAOYSA-N 0 0 400.454 4.046 20 30 HIEDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1 ZINC000409576847 855549354 /nfs/dbraw/zinc/54/93/54/855549354.db2.gz XYRKXLGOHFQJIR-PZJWPPBQSA-N 0 0 416.481 4.120 20 30 HIEDRN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409591515 855556424 /nfs/dbraw/zinc/55/64/24/855556424.db2.gz OGJROTVGDGGRIH-OAHLLOKOSA-N 0 0 400.447 4.337 20 30 HIEDRN C=CCc1cc(CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000409606911 855562408 /nfs/dbraw/zinc/56/24/08/855562408.db2.gz CLOOFQIYMNWSTI-UHFFFAOYSA-N 0 0 407.514 4.194 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3cccc4ccccc43)CC2)c1 ZINC000409624723 855570622 /nfs/dbraw/zinc/57/06/22/855570622.db2.gz WVAWPFGRDHDKBV-UHFFFAOYSA-N 0 0 412.493 4.272 20 30 HIEDRN N#Cc1c(C#N)c(N2CCC[C@@H](c3ncc4n3CCCC4)C2)nc2c1CCCCCC2 ZINC000409651356 855583956 /nfs/dbraw/zinc/58/39/56/855583956.db2.gz KLXIHEZYCXMRLN-GOSISDBHSA-N 0 0 414.557 4.401 20 30 HIEDRN N#Cc1c2c(sc1NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)CCCC2 ZINC000409720823 855619602 /nfs/dbraw/zinc/61/96/02/855619602.db2.gz DZAJKVYXQQBFTR-UHFFFAOYSA-N 0 0 413.396 4.425 20 30 HIEDRN C=CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1nc(C(=O)OCC)cs1 ZINC000409834198 855678728 /nfs/dbraw/zinc/67/87/28/855678728.db2.gz VKSNJLKSUWCSPV-ZDUSSCGKSA-N 0 0 408.907 4.268 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 ZINC000437387383 862708651 /nfs/dbraw/zinc/70/86/51/862708651.db2.gz HWBRPHDXCLGSSS-AWEZNQCLSA-N 0 0 415.877 4.088 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1cccc(F)c1 ZINC000409934030 855731867 /nfs/dbraw/zinc/73/18/67/855731867.db2.gz WQWLFXAKGZGDAY-UHFFFAOYSA-N 0 0 414.444 4.274 20 30 HIEDRN CCCN([C@H](C)CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000409934649 855732491 /nfs/dbraw/zinc/73/24/91/855732491.db2.gz WWPJNBVTXAUGKQ-OAHLLOKOSA-N 0 0 419.934 4.030 20 30 HIEDRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000437389800 862716907 /nfs/dbraw/zinc/71/69/07/862716907.db2.gz SSXMPXKAZJYKMG-UHFFFAOYSA-N 0 0 414.465 4.302 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000409980988 855760042 /nfs/dbraw/zinc/76/00/42/855760042.db2.gz BQGZUGKCUKNBIR-OAHLLOKOSA-N 0 0 405.479 4.207 20 30 HIEDRN C=CCCO[C@H](C)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000410024794 855784479 /nfs/dbraw/zinc/78/44/79/855784479.db2.gz GAXOPRCJQSKIGE-SECBINFHSA-N 0 0 400.273 4.026 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NC2CC(C)(c3ccccc3)C2)nnc1-c1ccco1 ZINC000410073278 855809204 /nfs/dbraw/zinc/80/92/04/855809204.db2.gz DEFDXGADDWLJIH-UHFFFAOYSA-N 0 0 422.554 4.443 20 30 HIEDRN C=CC[C@@H](CO)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000410076253 855809767 /nfs/dbraw/zinc/80/97/67/855809767.db2.gz XGNQTGFUKQOKQA-INIZCTEOSA-N 0 0 410.297 4.248 20 30 HIEDRN C=CC[C@@H](CO)NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC000410076125 855810081 /nfs/dbraw/zinc/81/00/81/855810081.db2.gz XDJDKWBWVFZPKZ-PMUJDMTCSA-N 0 0 413.402 4.162 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1=O ZINC000410108327 855823278 /nfs/dbraw/zinc/82/32/78/855823278.db2.gz NOJQSAJZMVHKJU-IBGZPJMESA-N 0 0 418.415 4.357 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 ZINC000410115747 855826897 /nfs/dbraw/zinc/82/68/97/855826897.db2.gz IDSHEIQWGGLGRI-QGZVFWFLSA-N 0 0 401.470 4.219 20 30 HIEDRN N#Cc1cc(S(=O)(=O)NCc2ccc(-c3ccncc3)cc2)ccc1C(F)(F)F ZINC000410118642 855828804 /nfs/dbraw/zinc/82/88/04/855828804.db2.gz PPCQWGGDTZMIDJ-UHFFFAOYSA-N 0 0 417.412 4.118 20 30 HIEDRN C=CC[C@H](CC)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000410127222 855831374 /nfs/dbraw/zinc/83/13/74/855831374.db2.gz KNBLUECBXPSIIL-WBVHZDCISA-N 0 0 407.352 4.081 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)s2)C1=O ZINC000410139364 855836009 /nfs/dbraw/zinc/83/60/09/855836009.db2.gz CAYBDIZTFNSTOP-OAHLLOKOSA-N 0 0 424.444 4.173 20 30 HIEDRN COc1ccc(C)c2c1N(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CCC2 ZINC000410141890 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862856830 /nfs/dbraw/zinc/85/68/30/862856830.db2.gz GEHFKRHLDJGQGG-KDOFPFPSSA-N 0 0 410.461 4.469 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1OC(C)C ZINC000427864263 856986058 /nfs/dbraw/zinc/98/60/58/856986058.db2.gz LJXWVSCCEPVYEQ-UHFFFAOYSA-N 0 0 405.376 4.250 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1Cl ZINC000427891003 856996174 /nfs/dbraw/zinc/99/61/74/856996174.db2.gz CKFZBCWQXWRANI-SFHVURJKSA-N 0 0 422.868 4.043 20 30 HIEDRN Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)s1 ZINC000427898767 856998472 /nfs/dbraw/zinc/99/84/72/856998472.db2.gz BSOHWUZVHZLWER-UHFFFAOYSA-N 0 0 407.886 5.015 20 30 HIEDRN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000437512640 862860506 /nfs/dbraw/zinc/86/05/06/862860506.db2.gz FZGRYXGUSGOSGG-NFBKMPQASA-N 0 0 418.522 4.466 20 30 HIEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000437514457 862861255 /nfs/dbraw/zinc/86/12/55/862861255.db2.gz OAHHPDKGERQAAY-AZUAARDMSA-N 0 0 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ZINC000428177367 857098863 /nfs/dbraw/zinc/09/88/63/857098863.db2.gz PFXYCCJIKACBOU-GJZGRUSLSA-N 0 0 420.538 4.020 20 30 HIEDRN Cn1cc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c2ccccc2c1=O ZINC000428270528 857134901 /nfs/dbraw/zinc/13/49/01/857134901.db2.gz ZUAWKKMWBGOBPT-UHFFFAOYSA-N 0 0 423.472 4.436 20 30 HIEDRN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428270844 857135182 /nfs/dbraw/zinc/13/51/82/857135182.db2.gz BDGHZKIDMIXPNE-UHFFFAOYSA-N 0 0 415.497 4.244 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000437544515 862876538 /nfs/dbraw/zinc/87/65/38/862876538.db2.gz GIBKDSOBETVESF-BVYCBKJFSA-N 0 0 414.571 4.476 20 30 HIEDRN C=CCN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1nc2c(s1)CCCC2 ZINC000428352894 857169020 /nfs/dbraw/zinc/16/90/20/857169020.db2.gz RJBUDHALVNLDGT-UHFFFAOYSA-N 0 0 416.934 4.038 20 30 HIEDRN COc1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4C#N)CC3)cs2)cc1 ZINC000428359229 857170917 /nfs/dbraw/zinc/17/09/17/857170917.db2.gz AFBWJUTYPMNWTD-UHFFFAOYSA-N 0 0 422.529 4.147 20 30 HIEDRN N#Cc1c(F)cccc1CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000428362869 857173497 /nfs/dbraw/zinc/17/34/97/857173497.db2.gz KAWOJEDXAXMRNP-UHFFFAOYSA-N 0 0 403.457 4.385 20 30 HIEDRN N#Cc1ncccc1S(=O)(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000428394380 857188657 /nfs/dbraw/zinc/18/86/57/857188657.db2.gz UNZHAKISHGBSPK-UHFFFAOYSA-N 0 0 408.310 4.128 20 30 HIEDRN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437553815 862882575 /nfs/dbraw/zinc/88/25/75/862882575.db2.gz CLHRUIUVXAJPKU-YADHBBJMSA-N 0 0 404.514 4.472 20 30 HIEDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428503210 857229683 /nfs/dbraw/zinc/22/96/83/857229683.db2.gz MLUZCRUSPFJDIB-SFHVURJKSA-N 0 0 424.508 4.449 20 30 HIEDRN C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1-n1cccn1 ZINC000428503713 857230908 /nfs/dbraw/zinc/23/09/08/857230908.db2.gz PNHVLAORBFVGIA-GOSISDBHSA-N 0 0 410.481 4.140 20 30 HIEDRN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000428511315 857232954 /nfs/dbraw/zinc/23/29/54/857232954.db2.gz BKDZHKLRXYPBHE-HKARXFIJSA-N 0 0 400.482 4.147 20 30 HIEDRN C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000428511316 857233171 /nfs/dbraw/zinc/23/31/71/857233171.db2.gz BKDZHKLRXYPBHE-QQMNAOGKSA-N 0 0 400.482 4.147 20 30 HIEDRN N#CCCn1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000428630841 857283019 /nfs/dbraw/zinc/28/30/19/857283019.db2.gz XYUBTFXIDNHELF-UHFFFAOYSA-N 0 0 417.469 4.125 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000437576801 862895084 /nfs/dbraw/zinc/89/50/84/862895084.db2.gz GTCBMCLGWGUPSB-PZJWPPBQSA-N 0 0 424.932 4.480 20 30 HIEDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)Cc2cccc(C)c2C)c1C#N ZINC000428723471 857309821 /nfs/dbraw/zinc/30/98/21/857309821.db2.gz NJAZXLLDADLVPR-UHFFFAOYSA-N 0 0 404.514 4.305 20 30 HIEDRN Cc1ccc(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1Br ZINC000437582356 862898050 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ZINC000429051308 857478733 /nfs/dbraw/zinc/47/87/33/857478733.db2.gz WUQPGVSTHNJAFZ-HNNXBMFYSA-N 0 0 405.458 4.202 20 30 HIEDRN C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nc(Cc2ccccc2)no1 ZINC000429065453 857489783 /nfs/dbraw/zinc/48/97/83/857489783.db2.gz QFMLRNYDAHOYGC-LBPRGKRZSA-N 0 0 413.384 4.016 20 30 HIEDRN COc1ccc(Br)cc1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000429075251 857496153 /nfs/dbraw/zinc/49/61/53/857496153.db2.gz DCMMGEWROWXWJD-QGZVFWFLSA-N 0 0 402.292 4.302 20 30 HIEDRN N#CCCn1ncc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1-c1ccccc1 ZINC000429089397 857504446 /nfs/dbraw/zinc/50/44/46/857504446.db2.gz GCQFMDUQFKGEEI-IFMALSPDSA-N 0 0 400.482 4.114 20 30 HIEDRN N#Cc1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)ccc1OCC(F)(F)F ZINC000429110039 857513424 /nfs/dbraw/zinc/51/34/24/857513424.db2.gz PGGFQRMYJKOMPB-KRWDZBQOSA-N 0 0 411.424 4.455 20 30 HIEDRN COc1cc(Cl)c(Br)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000429112836 857515632 /nfs/dbraw/zinc/51/56/32/857515632.db2.gz IRDIQRMPSYTSLE-LLVKDONJSA-N 0 0 418.678 4.488 20 30 HIEDRN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429132873 857526304 /nfs/dbraw/zinc/52/63/04/857526304.db2.gz XKBAMEOJKSGBPE-AWEZNQCLSA-N 0 0 411.868 4.111 20 30 HIEDRN CCOCCOc1ccc(Cl)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429203486 857551620 /nfs/dbraw/zinc/55/16/20/857551620.db2.gz HSQVOWBXLBMRRF-UHFFFAOYSA-N 0 0 402.878 4.423 20 30 HIEDRN CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000429249655 857574046 /nfs/dbraw/zinc/57/40/46/857574046.db2.gz SWFNZHMGYILNOS-UHFFFAOYSA-N 0 0 401.303 4.083 20 30 HIEDRN CCCc1c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cnn1-c1ccccc1C ZINC000429280010 857589017 /nfs/dbraw/zinc/58/90/17/857589017.db2.gz WQAZUROTGCXUHD-UHFFFAOYSA-N 0 0 417.513 4.294 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(NC(=O)C3CC3)CC2)cc1F ZINC000429346058 857613105 /nfs/dbraw/zinc/61/31/05/857613105.db2.gz PCVBFALMCKKKBS-UHFFFAOYSA-N 0 0 422.460 4.012 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N(C)c2cc(F)ccc2F)nnc1-c1ccco1 ZINC000429358524 857619487 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HIEDRN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cccc(COc4cccc(F)c4)c3)nc21 ZINC000429585292 857770614 /nfs/dbraw/zinc/77/06/14/857770614.db2.gz IYOJSZHMYPCNHX-IBGZPJMESA-N 0 0 400.413 4.475 20 30 HIEDRN CN(CCCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1 ZINC000429590683 857774154 /nfs/dbraw/zinc/77/41/54/857774154.db2.gz HWXZOHZVIMCDLQ-UHFFFAOYSA-N 0 0 401.514 4.110 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(OCc4ccccc4C#N)cc3)nc21 ZINC000429593031 857775808 /nfs/dbraw/zinc/77/58/08/857775808.db2.gz RTRVHKIRHOGUBB-HXUWFJFHSA-N 0 0 407.433 4.207 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1-c1ccccc1 ZINC000429603872 857785425 /nfs/dbraw/zinc/78/54/25/857785425.db2.gz HUPYYTHSLKANEK-OAQYLSRUSA-N 0 0 420.900 4.331 20 30 HIEDRN Cc1noc(C[C@@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c2ccccc2)n1 ZINC000429629989 857808141 /nfs/dbraw/zinc/80/81/41/857808141.db2.gz WVAUMXGXJWLEDI-LJQANCHMSA-N 0 0 405.458 4.142 20 30 HIEDRN COc1cc(OC)c(OC)cc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000429731346 857854709 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Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)nn1-c1ccc(Br)cc1 ZINC000429934312 857956280 /nfs/dbraw/zinc/95/62/80/857956280.db2.gz QZXXSLCSNBMMEF-UHFFFAOYSA-N 0 0 409.287 4.087 20 30 HIEDRN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429973542 857976836 /nfs/dbraw/zinc/97/68/36/857976836.db2.gz NRTXSHUXGXFMBO-KRWDZBQOSA-N 0 0 412.497 4.324 20 30 HIEDRN Cc1cc([C@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)ccc1Br ZINC000430000497 857990315 /nfs/dbraw/zinc/99/03/15/857990315.db2.gz AJTFXEJVPWSQRW-LJQANCHMSA-N 0 0 419.344 4.296 20 30 HIEDRN N#Cc1ccc(Nc2cccc(C(=O)NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000430167439 858062194 /nfs/dbraw/zinc/06/21/94/858062194.db2.gz RWOPZHCOZWIWJC-NOZRDPDXSA-N 0 0 415.468 4.337 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000430179431 858068182 /nfs/dbraw/zinc/06/81/82/858068182.db2.gz QNOYHOQCBGGVFL-UKILVPOCSA-N 0 0 416.452 4.386 20 30 HIEDRN C[C@@H](NC(=O)NCC1(CC#N)CC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000430185209 858071129 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HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1F ZINC000430513502 858204627 /nfs/dbraw/zinc/20/46/27/858204627.db2.gz GABWKXIUJSWIQD-ICSRJNTNSA-N 0 0 415.424 4.100 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nccnc1SCC ZINC000430557047 858216976 /nfs/dbraw/zinc/21/69/76/858216976.db2.gz MDZDALSJNSQMJH-UHFFFAOYSA-N 0 0 410.312 4.319 20 30 HIEDRN C[C@H]1Sc2ccccc2N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@H]1C ZINC000430634089 858242019 /nfs/dbraw/zinc/24/20/19/858242019.db2.gz QVKRLNBENYVXSP-JKSUJKDBSA-N 0 0 414.552 4.294 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 ZINC000430689319 858270259 /nfs/dbraw/zinc/27/02/59/858270259.db2.gz DKDIWGNNIOCCLP-GOSISDBHSA-N 0 0 417.937 4.489 20 30 HIEDRN N#CCSc1cccc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000430696372 858272295 /nfs/dbraw/zinc/27/22/95/858272295.db2.gz BOMHEXODMOAJBN-OAHLLOKOSA-N 0 0 421.444 4.210 20 30 HIEDRN C=CCN1C(=O)N(Cc2cccc(NC(=O)[C@@H](C)CC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430736644 858281910 /nfs/dbraw/zinc/28/19/10/858281910.db2.gz FGENLHIZKJUYSP-PGRDOPGGSA-N 0 0 419.525 4.233 20 30 HIEDRN N#CCSc1cccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000430738482 858282854 /nfs/dbraw/zinc/28/28/54/858282854.db2.gz ZGQXKFRDSHCZEH-UHFFFAOYSA-N 0 0 424.404 4.071 20 30 HIEDRN C=CCN1C(=O)N(Cc2cccc(OCC(F)(F)F)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430740802 858283920 /nfs/dbraw/zinc/28/39/20/858283920.db2.gz COZVGIGDLPFWHA-IBGZPJMESA-N 0 0 418.415 4.189 20 30 HIEDRN C[C@@H](c1cccc(Br)c1)N1CC(=O)N([C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000430750348 858288020 /nfs/dbraw/zinc/28/80/20/858288020.db2.gz ZBVFTGRDNSHNSL-KBPBESRZSA-N 0 0 412.287 4.407 20 30 HIEDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 ZINC000437665414 863007298 /nfs/dbraw/zinc/00/72/98/863007298.db2.gz YWHMKNVJTRPXDF-UHFFFAOYSA-N 0 0 415.478 4.335 20 30 HIEDRN COc1ccc([C@H]2NC(=O)N(CC#Cc3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000430790037 858306727 /nfs/dbraw/zinc/30/67/27/858306727.db2.gz CTGPSQYKFBLKTA-QGZVFWFLSA-N 0 0 422.790 4.012 20 30 HIEDRN C=CCN1C(=O)N([C@@H](C)c2ccc(OCC)c(OC)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430843706 858328406 /nfs/dbraw/zinc/32/84/06/858328406.db2.gz FJVIOMFEZYUZRT-PXNSSMCTSA-N 0 0 408.498 4.216 20 30 HIEDRN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](OCCCc3ccccc3)C2)c1C ZINC000430908188 858365055 /nfs/dbraw/zinc/36/50/55/858365055.db2.gz HRPJKWUVZUXXIQ-DEOSSOPVSA-N 0 0 419.569 4.274 20 30 HIEDRN N#CCC1(CNC(=O)NCCOc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000430911277 858366902 /nfs/dbraw/zinc/36/69/02/858366902.db2.gz BIMQEPUVRKFROH-UHFFFAOYSA-N 0 0 421.122 4.128 20 30 HIEDRN C=CCN1C(=O)N(CCc2csc(-c3ccccc3)n2)C(=O)[C@H]1Cc1ccccc1 ZINC000430961092 858383172 /nfs/dbraw/zinc/38/31/72/858383172.db2.gz MGYJVUZKJGDJOK-OAQYLSRUSA-N 0 0 417.534 4.414 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CC1 ZINC000431110000 858450242 /nfs/dbraw/zinc/45/02/42/858450242.db2.gz SOEXUDYWNVGWPY-UHFFFAOYSA-N 0 0 414.868 4.224 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cc(C(N)=O)c(Cl)cc2Cl)c1 ZINC000431113612 858452102 /nfs/dbraw/zinc/45/21/02/858452102.db2.gz IARUQWMRTXHBFA-UHFFFAOYSA-N 0 0 419.312 4.068 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)C2)n1 ZINC000431140786 858466933 /nfs/dbraw/zinc/46/69/33/858466933.db2.gz QZFSDAUJXLWBDY-FGCOXFRFSA-N 0 0 410.521 4.304 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000431197391 858498164 /nfs/dbraw/zinc/49/81/64/858498164.db2.gz JYZZGQUGNSHNLB-SFHVURJKSA-N 0 0 415.440 4.415 20 30 HIEDRN CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)n1 ZINC000431257099 858534535 /nfs/dbraw/zinc/53/45/35/858534535.db2.gz KJHTXPKVBMXUOD-CQSZACIVSA-N 0 0 409.515 4.323 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437702744 863036228 /nfs/dbraw/zinc/03/62/28/863036228.db2.gz JHFLDBLVBXMIQF-UHFFFAOYSA-N 0 0 410.499 4.074 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000437706550 863038938 /nfs/dbraw/zinc/03/89/38/863038938.db2.gz HMOXNEPIOFMUOE-IEZWGBDMSA-N 0 0 415.559 4.469 20 30 HIEDRN C=CCN1C(=O)N(CC(C)(C)c2ccc(OC)c(OC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431410436 858601355 /nfs/dbraw/zinc/60/13/55/858601355.db2.gz PJAJALQMLFGUTP-HXUWFJFHSA-N 0 0 422.525 4.043 20 30 HIEDRN N#CC1(C(=O)Nc2cc(O)c(Br)cc2Br)CCCCC1 ZINC000431449773 858621489 /nfs/dbraw/zinc/62/14/89/858621489.db2.gz RDUYCNIPJKLWTR-UHFFFAOYSA-N 0 0 402.086 4.330 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC000431508079 858648916 /nfs/dbraw/zinc/64/89/16/858648916.db2.gz PYRDCPMCJGLOQC-UHFFFAOYSA-N 0 0 413.193 4.148 20 30 HIEDRN N#Cc1cc(NC(=O)NC2(c3ccc4c(c3)OCO4)CC2)ccc1OCC(F)(F)F ZINC000431556130 858668635 /nfs/dbraw/zinc/66/86/35/858668635.db2.gz AUHOUVWUMMAPDU-UHFFFAOYSA-N 0 0 419.359 4.039 20 30 HIEDRN CCc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)cc1 ZINC000431598779 858682011 /nfs/dbraw/zinc/68/20/11/858682011.db2.gz DDPYRXJHOQVFAH-QGZVFWFLSA-N 0 0 408.445 4.318 20 30 HIEDRN N#CCCC[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000431632593 858701401 /nfs/dbraw/zinc/70/14/01/858701401.db2.gz XQBURBPXAWLECM-MRXNPFEDSA-N 0 0 411.296 4.302 20 30 HIEDRN Cc1c(Cl)cc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000431638374 858704963 /nfs/dbraw/zinc/70/49/63/858704963.db2.gz UXEDWOKMSIIZSO-QGZVFWFLSA-N 0 0 407.879 4.270 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000431643735 858708023 /nfs/dbraw/zinc/70/80/23/858708023.db2.gz PGKHRQMMXDDADL-SFHVURJKSA-N 0 0 417.513 4.461 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 ZINC000431656620 858718119 /nfs/dbraw/zinc/71/81/19/858718119.db2.gz AMJOBLLGKGKXHG-UHFFFAOYSA-N 0 0 414.465 4.243 20 30 HIEDRN Cc1[nH]nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1C#N ZINC000431690539 858742099 /nfs/dbraw/zinc/74/20/99/858742099.db2.gz GQRSTCUEDGDKQW-UHFFFAOYSA-N 0 0 402.845 4.348 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000431696630 858744802 /nfs/dbraw/zinc/74/48/02/858744802.db2.gz MGRDZQXWCRYVOL-UHFFFAOYSA-N 0 0 417.538 4.340 20 30 HIEDRN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431707759 858753977 /nfs/dbraw/zinc/75/39/77/858753977.db2.gz IULNAAHOAKMFHU-UHFFFAOYSA-N 0 0 410.543 4.477 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000431734599 858773166 /nfs/dbraw/zinc/77/31/66/858773166.db2.gz WYLILDDGRMIODU-QGZVFWFLSA-N 0 0 405.433 4.467 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCc1cccnc1OCC(F)(F)F)c1ccccc1 ZINC000431809262 858822059 /nfs/dbraw/zinc/82/20/59/858822059.db2.gz LCHSZJGNPRKDIT-KRWDZBQOSA-N 0 0 406.408 4.257 20 30 HIEDRN Cc1cccc([C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)N2CCOCC2)c1 ZINC000431818059 858825945 /nfs/dbraw/zinc/82/59/45/858825945.db2.gz MSQNRJBDPOBPTC-DNQXCXABSA-N 0 0 420.557 4.103 20 30 HIEDRN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C#N)c3C)cc2)ccc1F ZINC000431849894 858839197 /nfs/dbraw/zinc/83/91/97/858839197.db2.gz GNURBTQUFULOPH-UHFFFAOYSA-N 0 0 423.469 4.367 20 30 HIEDRN CCOc1ccc([C@H](NC(=O)C(=O)Nc2cccc(C#N)c2C)C(C)C)cc1OCC ZINC000431858106 858842540 /nfs/dbraw/zinc/84/25/40/858842540.db2.gz JIJBUBJXXJPNDT-JOCHJYFZSA-N 0 0 423.513 4.116 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(F)F)c(C(F)(F)F)c1 ZINC000431911226 858866991 /nfs/dbraw/zinc/86/69/91/858866991.db2.gz GPWRYFDKIQQDPG-UHFFFAOYSA-N 0 0 404.360 4.033 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(OCC(F)(F)F)c3)C2)c(F)c1 ZINC000431923632 858871938 /nfs/dbraw/zinc/87/19/38/858871938.db2.gz DPPJFLCFGRJLSF-INIZCTEOSA-N 0 0 421.394 4.037 20 30 HIEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)C2)c(F)c1 ZINC000431923543 858872288 /nfs/dbraw/zinc/87/22/88/858872288.db2.gz HYLVDHLPEBZPRQ-MISYRCLQSA-N 0 0 410.468 4.051 20 30 HIEDRN N#CCCN(Cc1ccccn1)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000431931259 858875685 /nfs/dbraw/zinc/87/56/85/858875685.db2.gz OBHBGYFKIZWGIQ-UHFFFAOYSA-N 0 0 412.209 4.419 20 30 HIEDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431953101 858885226 /nfs/dbraw/zinc/88/52/26/858885226.db2.gz LQFQUMFETKDNRM-UHFFFAOYSA-N 0 0 400.482 4.001 20 30 HIEDRN CC[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C[C@@]2(CCOC2)O1 ZINC000431987964 858907134 /nfs/dbraw/zinc/90/71/34/858907134.db2.gz RZLGODTZJYCFBN-YADARESESA-N 0 0 421.497 4.461 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCCSCc1cccc2ccccc21 ZINC000431995327 858911808 /nfs/dbraw/zinc/91/18/08/858911808.db2.gz ZWUBIDHGTGNMBP-UHFFFAOYSA-N 0 0 403.507 4.008 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000431998844 858913924 /nfs/dbraw/zinc/91/39/24/858913924.db2.gz HLOBTGMXZPESNN-UHFFFAOYSA-N 0 0 401.491 4.273 20 30 HIEDRN CC1(C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@]2(CCOC2)O1 ZINC000432060645 858958158 /nfs/dbraw/zinc/95/81/58/858958158.db2.gz FNVASBFYXHAMFH-HSZRJFAPSA-N 0 0 407.470 4.152 20 30 HIEDRN COC(=O)c1cccc(NC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)c1 ZINC000432061382 858959423 /nfs/dbraw/zinc/95/94/23/858959423.db2.gz IEYJOPDDWXWKTB-UHFFFAOYSA-N 0 0 422.435 4.252 20 30 HIEDRN CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432064239 858962488 /nfs/dbraw/zinc/96/24/88/858962488.db2.gz DNWBNVAJZNVSTE-UHFFFAOYSA-N 0 0 414.712 4.207 20 30 HIEDRN N#Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000432067109 858964370 /nfs/dbraw/zinc/96/43/70/858964370.db2.gz NQSJHJJIUSSHQS-UHFFFAOYSA-N 0 0 417.899 4.326 20 30 HIEDRN CCO[C@@H]1C[C@]2(NC(=O)N([C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)C2=O)C1(C)C ZINC000432079481 858974270 /nfs/dbraw/zinc/97/42/70/858974270.db2.gz LTYLUFUVNXWXIY-XUMWYHAOSA-N 0 0 417.509 4.412 20 30 HIEDRN O=C(NCCc1cccc(C(F)(F)F)n1)NCc1ccc(F)cc1C(F)(F)F ZINC000432087209 858980162 /nfs/dbraw/zinc/98/01/62/858980162.db2.gz BNXBBEVNUKYBFL-UHFFFAOYSA-N 0 0 409.305 4.300 20 30 HIEDRN CCOCCC1(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCC1 ZINC000432132746 859008115 /nfs/dbraw/zinc/00/81/15/859008115.db2.gz GPQHNONRINCCPE-UHFFFAOYSA-N 0 0 402.545 4.237 20 30 HIEDRN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C)cc(F)c2)cc1[N+](=O)[O-] ZINC000432189961 859038979 /nfs/dbraw/zinc/03/89/79/859038979.db2.gz CMNGPDFCDSIMCZ-UHFFFAOYSA-N 0 0 423.404 4.080 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccc(Br)cc2-c2nc(C3CC3)no2)CC1 ZINC000432203032 859045196 /nfs/dbraw/zinc/04/51/96/859045196.db2.gz LXRDVXGRWVOIMM-UHFFFAOYSA-N 0 0 416.279 4.192 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000432277128 859080813 /nfs/dbraw/zinc/08/08/13/859080813.db2.gz MULABNZXVBBPHN-HNNXBMFYSA-N 0 0 404.392 4.166 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000432296353 859090501 /nfs/dbraw/zinc/09/05/01/859090501.db2.gz ZXIJWTZLMBWXSD-FQEVSTJZSA-N 0 0 408.889 4.500 20 30 HIEDRN COCCN(C(=O)C[C@H](C)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000432308791 859097468 /nfs/dbraw/zinc/09/74/68/859097468.db2.gz XMPKNORUBJKNMP-HNNXBMFYSA-N 0 0 401.304 4.494 20 30 HIEDRN COc1ccccc1NC(=O)Nc1cc(NC(=O)c2ccc(C#N)o2)ccc1OC ZINC000432417955 859155378 /nfs/dbraw/zinc/15/53/78/859155378.db2.gz PMIMDQHZAJVFSZ-UHFFFAOYSA-N 0 0 406.398 4.065 20 30 HIEDRN N#Cc1nn(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c2ccccc12 ZINC000432490211 859190917 /nfs/dbraw/zinc/19/09/17/859190917.db2.gz OEAZUSBQMRUZHO-NRFANRHFSA-N 0 0 419.488 4.338 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000432530397 859212046 /nfs/dbraw/zinc/21/20/46/859212046.db2.gz INUNNUYKLJZRDR-UHFFFAOYSA-N 0 0 400.438 4.493 20 30 HIEDRN CCCc1c(NC(=O)CCc2c(C)nn(CCC#N)c2C)cnn1-c1ccc(C)cc1 ZINC000432544738 859218950 /nfs/dbraw/zinc/21/89/50/859218950.db2.gz GMMFEBNACPDRAE-UHFFFAOYSA-N 0 0 418.545 4.432 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000432544509 859219113 /nfs/dbraw/zinc/21/91/13/859219113.db2.gz FLIBVFQCDZRLCZ-RDTXWAMCSA-N 0 0 413.543 4.180 20 30 HIEDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432546054 859219656 /nfs/dbraw/zinc/21/96/56/859219656.db2.gz LWBJSMYBIWPQTH-UHFFFAOYSA-N 0 0 420.513 4.000 20 30 HIEDRN C=CCC(C)(C)CNC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000432568906 859231308 /nfs/dbraw/zinc/23/13/08/859231308.db2.gz VVHIRQUKRAVLAN-UHFFFAOYSA-N 0 0 415.559 4.231 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432571109 859232197 /nfs/dbraw/zinc/23/21/97/859232197.db2.gz FZZIRRFLTOMXOV-KUHUBIRLSA-N 0 0 404.495 4.284 20 30 HIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(COC)(C(=O)OCC)CC1 ZINC000432579973 859237501 /nfs/dbraw/zinc/23/75/01/859237501.db2.gz QPWPSJCVPMTIMC-UHFFFAOYSA-N 0 0 402.535 4.362 20 30 HIEDRN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000432583059 859239653 /nfs/dbraw/zinc/23/96/53/859239653.db2.gz FZYFNQMWMIVZTP-AWEZNQCLSA-N 0 0 419.403 4.443 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000432603594 859250451 /nfs/dbraw/zinc/25/04/51/859250451.db2.gz VTWCSOHJLFRUHP-UZUQRXQVSA-N 0 0 407.470 4.152 20 30 HIEDRN CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000432609308 859253496 /nfs/dbraw/zinc/25/34/96/859253496.db2.gz WXBGPFPPXREZJI-HSZRJFAPSA-N 0 0 407.470 4.152 20 30 HIEDRN COC(=O)C12CCC(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)(CC1)CC2 ZINC000432672649 859283622 /nfs/dbraw/zinc/28/36/22/859283622.db2.gz ZBHZNBROOVXENJ-UHFFFAOYSA-N 0 0 409.511 4.058 20 30 HIEDRN CCc1c(C)sc(NC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc32)c1C#N ZINC000432675418 859286212 /nfs/dbraw/zinc/28/62/12/859286212.db2.gz BGVTWZMUPZEVDE-MRXNPFEDSA-N 0 0 411.556 4.411 20 30 HIEDRN N#CCCC[C@H](NC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1 ZINC000432701766 859304024 /nfs/dbraw/zinc/30/40/24/859304024.db2.gz CAWKEBXBJYHXFQ-QFIPXVFZSA-N 0 0 420.513 4.244 20 30 HIEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cn1 ZINC000432708884 859309680 /nfs/dbraw/zinc/30/96/80/859309680.db2.gz OHMWJEUHWNHZRH-UHFFFAOYSA-N 0 0 402.454 4.381 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000432709102 859310312 /nfs/dbraw/zinc/31/03/12/859310312.db2.gz JHHFSCKXOKFHIK-MRXNPFEDSA-N 0 0 400.866 4.079 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000432715685 859314531 /nfs/dbraw/zinc/31/45/31/859314531.db2.gz GGHRLTYGQSODNB-UHFFFAOYSA-N 0 0 411.465 4.186 20 30 HIEDRN Cc1ccc(C(=O)C2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000432718150 859316049 /nfs/dbraw/zinc/31/60/49/859316049.db2.gz OAVNPZNLDYGPQN-UHFFFAOYSA-N 0 0 417.509 4.097 20 30 HIEDRN CN(CCCOc1cccc(Cl)c1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432716547 859316191 /nfs/dbraw/zinc/31/61/91/859316191.db2.gz JXXQIGUZIKXSMH-UHFFFAOYSA-N 0 0 413.905 4.248 20 30 HIEDRN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)cc2)o1 ZINC000432761358 859339924 /nfs/dbraw/zinc/33/99/24/859339924.db2.gz SKEOGRJPZUOJGC-UHFFFAOYSA-N 0 0 418.272 4.085 20 30 HIEDRN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)c2)o1 ZINC000432764463 859344213 /nfs/dbraw/zinc/34/42/13/859344213.db2.gz VHAAQUFLMFJXDA-UHFFFAOYSA-N 0 0 418.272 4.085 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)Cc1nncn1C(C)C ZINC000432770176 859350149 /nfs/dbraw/zinc/35/01/49/859350149.db2.gz RPFBXZOPVOEZTE-UHFFFAOYSA-N 0 0 404.474 4.495 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432772093 859352690 /nfs/dbraw/zinc/35/26/90/859352690.db2.gz PUIKPPYCADWLGA-UHFFFAOYSA-N 0 0 421.522 4.313 20 30 HIEDRN CC(C)c1nc(C2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)no1 ZINC000432808562 859370024 /nfs/dbraw/zinc/37/00/24/859370024.db2.gz STSNALSLBHPTQR-UHFFFAOYSA-N 0 0 405.405 4.078 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(c3cc(C(C)=O)ccc3C#N)CC2)n1 ZINC000432879935 859405070 /nfs/dbraw/zinc/40/50/70/859405070.db2.gz QVWKNJLBMJFVAP-UHFFFAOYSA-N 0 0 402.454 4.203 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)N3CCOc4c(F)cccc4C3)s2)cc1 ZINC000432897952 859416330 /nfs/dbraw/zinc/41/63/30/859416330.db2.gz GKGRBDBRNZYEDW-UHFFFAOYSA-N 0 0 408.458 4.171 20 30 HIEDRN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000432952219 859445056 /nfs/dbraw/zinc/44/50/56/859445056.db2.gz WQYUYIIVXMKJJW-SFHVURJKSA-N 0 0 411.527 4.095 20 30 HIEDRN O=C(Nc1ccc(OC(F)F)c(C(F)(F)F)c1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000432990428 859465837 /nfs/dbraw/zinc/46/58/37/859465837.db2.gz AEBBCZIBLLRVQG-ZDUSSCGKSA-N 0 0 422.272 4.228 20 30 HIEDRN CCC[C@@H](C)C(=O)NCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000432992183 859467264 /nfs/dbraw/zinc/46/72/64/859467264.db2.gz IXIUTTNBNPEVMJ-OAHLLOKOSA-N 0 0 412.465 4.164 20 30 HIEDRN N#Cc1cc(NC(=O)N2CCC[C@H](O)C2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000433000354 859471840 /nfs/dbraw/zinc/47/18/40/859471840.db2.gz WEWLNSQXHQRVNC-INIZCTEOSA-N 0 0 405.376 4.358 20 30 HIEDRN Cc1ccc(-c2cc(C(=O)N[C@@H](C)C#N)c3sc(N4CCCCC4)nc3n2)cc1 ZINC000433013482 859478573 /nfs/dbraw/zinc/47/85/73/859478573.db2.gz OJEDVVPYVULWAT-HNNXBMFYSA-N 0 0 405.527 4.299 20 30 HIEDRN COCCN(C(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000433017440 859480692 /nfs/dbraw/zinc/48/06/92/859480692.db2.gz ALHGYXJAPIZTJU-HNNXBMFYSA-N 0 0 419.447 4.493 20 30 HIEDRN Cc1nc(C)n(Cc2cccc(NC(=O)N[C@@H](CCCC#N)c3ccccc3)c2)n1 ZINC000433033567 859491007 /nfs/dbraw/zinc/49/10/07/859491007.db2.gz QCLHWHMFVYMHCU-QFIPXVFZSA-N 0 0 402.502 4.500 20 30 HIEDRN N#Cc1cscc1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000433101493 859521537 /nfs/dbraw/zinc/52/15/37/859521537.db2.gz GZQPUIYPKAQPFZ-UHFFFAOYSA-N 0 0 404.278 4.389 20 30 HIEDRN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433124387 859529960 /nfs/dbraw/zinc/52/99/60/859529960.db2.gz BXDNNMKYPIFMEL-HNNXBMFYSA-N 0 0 404.297 4.163 20 30 HIEDRN CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000433131847 859533544 /nfs/dbraw/zinc/53/35/44/859533544.db2.gz DQRXMDXRQILXTD-QHCPKHFHSA-N 0 0 407.477 4.458 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cc2ccccc2n(C)c1=O ZINC000433147338 859540185 /nfs/dbraw/zinc/54/01/85/859540185.db2.gz YIUCTMDLLWYABE-HNNXBMFYSA-N 0 0 406.511 4.254 20 30 HIEDRN N#CCCn1cc(CNc2cccc(-c3noc(C4CC4)n3)c2)c(-c2ccncc2)n1 ZINC000433192289 859562348 /nfs/dbraw/zinc/56/23/48/859562348.db2.gz YMPFGLSRFBVZPW-UHFFFAOYSA-N 0 0 411.469 4.398 20 30 HIEDRN CCOc1cc(CN(C)C(=O)[C@H](C#N)CCc2ccccc2)ccc1OC(F)F ZINC000433221103 859574502 /nfs/dbraw/zinc/57/45/02/859574502.db2.gz OSPBAIXHHWZSPV-SFHVURJKSA-N 0 0 402.441 4.418 20 30 HIEDRN O=C(Nc1ccn(CC(F)(F)F)n1)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000433220396 859575176 /nfs/dbraw/zinc/57/51/76/859575176.db2.gz KYMZUKIWWXSQOO-UHFFFAOYSA-N 0 0 418.244 4.710 20 30 HIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433233564 859582122 /nfs/dbraw/zinc/58/21/22/859582122.db2.gz GUBLBCFIBCYEIR-OAHLLOKOSA-N 0 0 403.885 4.255 20 30 HIEDRN COc1cc(CN2C[C@@H](CO)c3ccccc32)ccc1OCc1cccc(C#N)c1 ZINC000433295459 859621725 /nfs/dbraw/zinc/62/17/25/859621725.db2.gz PDIWJCOAHFTULH-NRFANRHFSA-N 0 0 400.478 4.242 20 30 HIEDRN Cc1ccc(-n2nc(CCCNC(=O)Nc3c(C)cccc3Cl)c(C#N)c2N)cc1 ZINC000467650170 881446050 /nfs/dbraw/zinc/44/60/50/881446050.db2.gz LJEGMNRKSOXRGX-UHFFFAOYSA-N 0 0 422.920 4.351 20 30 HIEDRN COc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)ccc1Br ZINC000433334797 859649019 /nfs/dbraw/zinc/64/90/19/859649019.db2.gz MPPSAIQKYCHKEU-UHFFFAOYSA-N 0 0 412.291 4.242 20 30 HIEDRN O=c1c2cccc(Br)c2ncn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000433371144 859661847 /nfs/dbraw/zinc/66/18/47/859661847.db2.gz KTYKCZAGJJOXBN-UHFFFAOYSA-N 0 0 423.188 4.109 20 30 HIEDRN CCn1c(SCC#Cc2ccc(OC(F)(F)F)cc2)nnc1-c1ccncc1 ZINC000433406873 859683261 /nfs/dbraw/zinc/68/32/61/859683261.db2.gz SSVQIXWFDIGLJJ-UHFFFAOYSA-N 0 0 404.417 4.402 20 30 HIEDRN CCCN(C(=O)c1ccccc1N[C@@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000433483790 859725758 /nfs/dbraw/zinc/72/57/58/859725758.db2.gz LQECODYWEDGGIQ-LJQANCHMSA-N 0 0 410.543 4.098 20 30 HIEDRN CCCN(C(=O)c1ccccc1NCc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000433485528 859727065 /nfs/dbraw/zinc/72/70/65/859727065.db2.gz HECNDNULPGHIGX-UHFFFAOYSA-N 0 0 403.486 4.481 20 30 HIEDRN CC(C)OC[C@@H](CO)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000433490336 859729846 /nfs/dbraw/zinc/72/98/46/859729846.db2.gz VZEVJFJLELFGMF-QUCCMNQESA-N 0 0 415.921 4.245 20 30 HIEDRN Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)nnn1CC1CCCC1 ZINC000433544046 859766614 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N#Cc1ccsc1N1CC[C@@H](NC(c2ccc(F)cc2)c2ccc(F)cc2)C1=O ZINC000433698712 859842524 /nfs/dbraw/zinc/84/25/24/859842524.db2.gz YWUGMEQJFSFSKM-LJQANCHMSA-N 0 0 409.461 4.382 20 30 HIEDRN Cc1ccc(C(=O)Nc2ccccc2)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433708417 859846914 /nfs/dbraw/zinc/84/69/14/859846914.db2.gz QWBCFYBHRASKTD-JOCHJYFZSA-N 0 0 410.477 4.336 20 30 HIEDRN CCCC[C@H](NC(=O)NCC)C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000433729017 859858979 /nfs/dbraw/zinc/85/89/79/859858979.db2.gz VMXYOWUTSUMODT-IBGZPJMESA-N 0 0 424.501 4.176 20 30 HIEDRN CCNC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000433739463 859867337 /nfs/dbraw/zinc/86/73/37/859867337.db2.gz YLYGJJYASXQOKS-RXVVDRJESA-N 0 0 405.502 4.440 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1=O ZINC000433741354 859868693 /nfs/dbraw/zinc/86/86/93/859868693.db2.gz VWYDOUQMAAKLFN-OAHLLOKOSA-N 0 0 420.460 4.456 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1C ZINC000433742109 859869601 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421.806 4.283 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000434613245 860429649 /nfs/dbraw/zinc/42/96/49/860429649.db2.gz BRICOIOYRJHNKN-CYBMUJFWSA-N 0 0 419.909 4.328 20 30 HIEDRN CCOCC[C@@H](O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000434633054 860441208 /nfs/dbraw/zinc/44/12/08/860441208.db2.gz DCIZSFBWHOTNKC-GFCCVEGCSA-N 0 0 400.422 4.420 20 30 HIEDRN CS(=O)(=O)c1nc2ccccc2n1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000434642486 860443519 /nfs/dbraw/zinc/44/35/19/860443519.db2.gz IJRWYYMXQOPEEU-UHFFFAOYSA-N 0 0 415.518 4.340 20 30 HIEDRN Fc1ccc(F)c([C@@H](NCc2nnnn2-c2ccc(C(F)(F)F)cc2)C(F)F)c1 ZINC000434666298 860451831 /nfs/dbraw/zinc/45/18/31/860451831.db2.gz PUIDDEMEFXZDPD-OAHLLOKOSA-N 0 0 419.304 4.055 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1CN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000434732219 860474629 /nfs/dbraw/zinc/47/46/29/860474629.db2.gz KXGZIRYSJKHYDS-GOSISDBHSA-N 0 0 412.493 4.011 20 30 HIEDRN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cc(Br)ccc1F ZINC000434744146 860478930 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C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Br)c(C)c1F ZINC000434803902 860500389 /nfs/dbraw/zinc/50/03/89/860500389.db2.gz RBVIOPHTANTVKA-UHFFFAOYSA-N 0 0 405.267 4.050 20 30 HIEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000434846502 860520120 /nfs/dbraw/zinc/52/01/20/860520120.db2.gz PPGQCHGNSRSHFV-RTBURBONSA-N 0 0 405.281 4.153 20 30 HIEDRN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434856050 860524388 /nfs/dbraw/zinc/52/43/88/860524388.db2.gz QSPVMGOWSFNVJU-WOJBJXKFSA-N 0 0 406.530 4.238 20 30 HIEDRN COC(=O)[C@@H](NCc1ccccc1COCc1ccccc1)c1cccc(C#N)c1 ZINC000434857901 860526378 /nfs/dbraw/zinc/52/63/78/860526378.db2.gz KCLCOPYJKDAGNJ-DEOSSOPVSA-N 0 0 400.478 4.279 20 30 HIEDRN CCOc1ccccc1Oc1ccc(CN[C@H](C(=O)OC)c2cccc(C#N)c2)cn1 ZINC000434879725 860531953 /nfs/dbraw/zinc/53/19/53/860531953.db2.gz YDPMXTFQWHCDLC-QHCPKHFHSA-N 0 0 417.465 4.148 20 30 HIEDRN COc1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)cc1C ZINC000434894129 860540298 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4.014 20 30 HIEDRN N#Cc1cccc(C2(C(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)CC2)c1 ZINC000435011392 860597088 /nfs/dbraw/zinc/59/70/88/860597088.db2.gz JAYHWAIPNHFMLA-OAQYLSRUSA-N 0 0 419.912 4.218 20 30 HIEDRN N#Cc1cccc(C2(C(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)CC2)c1 ZINC000435020472 860601751 /nfs/dbraw/zinc/60/17/51/860601751.db2.gz KEGYJFPTENVRFI-IBGZPJMESA-N 0 0 401.293 4.497 20 30 HIEDRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)c2)cc1 ZINC000435061480 860621775 /nfs/dbraw/zinc/62/17/75/860621775.db2.gz ZSDIRMNIKADTCG-UHFFFAOYSA-N 0 0 423.516 4.145 20 30 HIEDRN N#Cc1cccc(C2(C(=O)Nc3cccc(OCC(=O)Nc4ccccc4)c3)CC2)c1 ZINC000435061695 860622621 /nfs/dbraw/zinc/62/26/21/860622621.db2.gz SAGLQUQJIISPCO-UHFFFAOYSA-N 0 0 411.461 4.246 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000435084230 860634491 /nfs/dbraw/zinc/63/44/91/860634491.db2.gz BNWOLQCPOUUIIH-OAHLLOKOSA-N 0 0 415.559 4.083 20 30 HIEDRN C=C(C)[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCC2)c1ccc(F)c(F)c1 ZINC000435095394 860639809 /nfs/dbraw/zinc/63/98/09/860639809.db2.gz HJXVAUVHAKSMFN-KRWDZBQOSA-N 0 0 405.470 4.062 20 30 HIEDRN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1C#N ZINC000435136310 860658581 /nfs/dbraw/zinc/65/85/81/860658581.db2.gz AMGSFFKWAVAMRN-UHFFFAOYSA-N 0 0 413.268 4.048 20 30 HIEDRN COc1c(C)cc(CN(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1C ZINC000435151794 860666940 /nfs/dbraw/zinc/66/69/40/860666940.db2.gz MAWIOXLANOGSKI-UHFFFAOYSA-N 0 0 412.433 4.023 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000435151166 860667025 /nfs/dbraw/zinc/66/70/25/860667025.db2.gz HJAIJUDBWDUHSS-ZDUSSCGKSA-N 0 0 417.282 4.108 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1C(F)(F)F ZINC000435152831 860667727 /nfs/dbraw/zinc/66/77/27/860667727.db2.gz YHGXIBUPOHOUBD-IBGZPJMESA-N 0 0 417.412 4.040 20 30 HIEDRN N#Cc1cc(F)ccc1NC(=O)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000435157159 860669061 /nfs/dbraw/zinc/66/90/61/860669061.db2.gz JUXRFHBNFFCTPH-UHFFFAOYSA-N 0 0 420.488 4.132 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1C(F)(F)F ZINC000435162853 860672219 /nfs/dbraw/zinc/67/22/19/860672219.db2.gz QFAFWDVVGCNMKA-APWZRJJASA-N 0 0 424.444 4.023 20 30 HIEDRN C[C@@H](c1c(F)cccc1F)N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435162838 860672389 /nfs/dbraw/zinc/67/23/89/860672389.db2.gz QAYQCVZYUKIMME-JTQLQIEISA-N 0 0 404.360 4.237 20 30 HIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435164298 860673313 /nfs/dbraw/zinc/67/33/13/860673313.db2.gz CVJDUGMCIQTDLT-ZDUSSCGKSA-N 0 0 407.417 4.221 20 30 HIEDRN Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000435170507 860676567 /nfs/dbraw/zinc/67/65/67/860676567.db2.gz GZUFYEFVCURMOH-SNVBAGLBSA-N 0 0 403.451 4.032 20 30 HIEDRN CCCc1c(NC(=O)N(C[C@H](C)C#N)C2CC2)cnn1-c1cc(F)c(OC)cc1F ZINC000435190887 860688086 /nfs/dbraw/zinc/68/80/86/860688086.db2.gz AFICZBMOTDFYQA-CYBMUJFWSA-N 0 0 417.460 4.268 20 30 HIEDRN Cc1ccc([C@@]2(C)CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)cc1 ZINC000435257780 860705941 /nfs/dbraw/zinc/70/59/41/860705941.db2.gz XMYYUNBNRPTUEA-NRFANRHFSA-N 0 0 415.415 4.014 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)NCC2(Cc3ccccc3)CC2)nnc1-c1ccco1 ZINC000435279309 860714868 /nfs/dbraw/zinc/71/48/68/860714868.db2.gz OWFXCKYEBAMMHK-UHFFFAOYSA-N 0 0 422.554 4.345 20 30 HIEDRN Cc1c(NC(=O)N(C)Cc2ccc(C#N)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000435322908 860734916 /nfs/dbraw/zinc/73/49/16/860734916.db2.gz IABZARJJKLGLHV-UHFFFAOYSA-N 0 0 403.236 4.201 20 30 HIEDRN Cc1c(NC(=O)N(CCC#N)Cc2ccco2)cc(Br)cc1[N+](=O)[O-] ZINC000435328020 860739860 /nfs/dbraw/zinc/73/98/60/860739860.db2.gz KBVYRNOLAUSFLM-UHFFFAOYSA-N 0 0 407.224 4.207 20 30 HIEDRN N#Cc1ccc(SCC(=O)NCCc2cc(Cl)ccc2Br)cc1 ZINC000435349695 860752257 /nfs/dbraw/zinc/75/22/57/860752257.db2.gz KAIIQWRBXMXOFI-UHFFFAOYSA-N 0 0 409.736 4.425 20 30 HIEDRN Cc1nnc(SCC(=O)Nc2ccc(OC(C)C)c(C#N)c2)n1Cc1ccccc1 ZINC000435352434 860753430 /nfs/dbraw/zinc/75/34/30/860753430.db2.gz DXARMVCYOYMXCR-UHFFFAOYSA-N 0 0 421.526 4.025 20 30 HIEDRN COc1ccc(-c2cc(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)n[nH]2)cc1OC ZINC000435357968 860758885 /nfs/dbraw/zinc/75/88/85/860758885.db2.gz XUZOZJXCIODMRJ-UHFFFAOYSA-N 0 0 406.442 4.005 20 30 HIEDRN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1SC ZINC000435358986 860759836 /nfs/dbraw/zinc/75/98/36/860759836.db2.gz TUUCTSKXHJCINW-UHFFFAOYSA-N 0 0 401.444 4.236 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000435358812 860759843 /nfs/dbraw/zinc/75/98/43/860759843.db2.gz RXQCIRNLBHBLDU-GFCCVEGCSA-N 0 0 408.285 4.001 20 30 HIEDRN C=CCN(C(=O)N[C@H](C)c1ccc(F)c(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000435415530 860792714 /nfs/dbraw/zinc/79/27/14/860792714.db2.gz KSKCZHRNGXUWLL-SJORKVTESA-N 0 0 408.481 4.130 20 30 HIEDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435426232 860796483 /nfs/dbraw/zinc/79/64/83/860796483.db2.gz HCDFQNYUPWNULK-HNNXBMFYSA-N 0 0 414.556 4.119 20 30 HIEDRN COc1ccc(-c2nc(C)c([C@H](C)NS(=O)(=O)c3ccc(C#N)s3)s2)cc1 ZINC000435429734 860797090 /nfs/dbraw/zinc/79/70/90/860797090.db2.gz YZHDDBXZGXXUFR-LBPRGKRZSA-N 0 0 419.553 4.100 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1C#N ZINC000435435786 860797932 /nfs/dbraw/zinc/79/79/32/860797932.db2.gz CEYFHRXRILAVRN-UHFFFAOYSA-N 0 0 401.466 4.257 20 30 HIEDRN CC[C@@H](Cc1ccccc1Br)N(C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435437680 860799077 /nfs/dbraw/zinc/79/90/77/860799077.db2.gz LSTIPLSCTCVGIP-ZDUSSCGKSA-N 0 0 413.362 4.024 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000435458195 860805449 /nfs/dbraw/zinc/80/54/49/860805449.db2.gz IELFLYFOOJQOTM-UHFFFAOYSA-N 0 0 416.224 4.061 20 30 HIEDRN Cc1oc(C#N)cc1C(=O)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000435463170 860806837 /nfs/dbraw/zinc/80/68/37/860806837.db2.gz KNVYFMFZSPBYPU-UHFFFAOYSA-N 0 0 419.456 4.140 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccs2)cc1C#N ZINC000435485423 860815949 /nfs/dbraw/zinc/81/59/49/860815949.db2.gz WQDULOYZVHWGBS-UHFFFAOYSA-N 0 0 423.494 4.167 20 30 HIEDRN N#Cc1ccc(CNC(=O)CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000467765688 881583175 /nfs/dbraw/zinc/58/31/75/881583175.db2.gz AYRYZJZWPSMWCL-HSZRJFAPSA-N 0 0 407.876 4.346 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1C#N ZINC000435487997 860817761 /nfs/dbraw/zinc/81/77/61/860817761.db2.gz XJJWODAKDOFMDC-KRWDZBQOSA-N 0 0 419.403 4.094 20 30 HIEDRN Cc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467766733 881583610 /nfs/dbraw/zinc/58/36/10/881583610.db2.gz DVPHGHNYWWIHNF-HSZRJFAPSA-N 0 0 408.498 4.289 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3s2)cc1C#N ZINC000435498954 860823112 /nfs/dbraw/zinc/82/31/12/860823112.db2.gz BENWVPKHNXQWBP-CQSZACIVSA-N 0 0 407.495 4.376 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc3ccccc32)cc1C#N ZINC000435534411 860849812 /nfs/dbraw/zinc/84/98/12/860849812.db2.gz MZBQRVROGMZCDR-MRXNPFEDSA-N 0 0 401.466 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ZINC000439451874 864836571 /nfs/dbraw/zinc/83/65/71/864836571.db2.gz NAAABQBUHONSNN-HSZRJFAPSA-N 0 0 424.460 4.450 20 30 HIEDRN N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 ZINC000439452820 864836737 /nfs/dbraw/zinc/83/67/37/864836737.db2.gz PBWNGDNKSXUUNL-HXUWFJFHSA-N 0 0 418.428 4.113 20 30 HIEDRN CN(C(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)C1CCOCC1 ZINC000439492608 864852194 /nfs/dbraw/zinc/85/21/94/864852194.db2.gz MLUNNRWOAIPLJN-QFIPXVFZSA-N 0 0 420.513 4.104 20 30 HIEDRN N#Cc1cccc(CCNC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000439497325 864853824 /nfs/dbraw/zinc/85/38/24/864853824.db2.gz WKWMOPGLCNJBJK-LJAQVGFWSA-N 0 0 403.507 4.230 20 30 HIEDRN COc1ccc(Sc2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc2Cl)cc1 ZINC000439501407 864855680 /nfs/dbraw/zinc/85/56/80/864855680.db2.gz DHEJJARBHRVAMF-CYBMUJFWSA-N 0 0 417.918 4.199 20 30 HIEDRN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c(C(F)(F)F)c1 ZINC000439502809 864856038 /nfs/dbraw/zinc/85/60/38/864856038.db2.gz HIJNVWGOORDYSM-RYUDHWBXSA-N 0 0 401.454 4.295 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)cc1 ZINC000439507268 864856457 /nfs/dbraw/zinc/85/64/57/864856457.db2.gz UOQZXIKPRWEVRD-UHFFFAOYSA-N 0 0 404.474 4.347 20 30 HIEDRN C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)C1=O ZINC000439516245 864860291 /nfs/dbraw/zinc/86/02/91/864860291.db2.gz FKUBDJRVQCKEFF-FQEVSTJZSA-N 0 0 413.905 4.170 20 30 HIEDRN COc1cccc(Cc2nnc(SCc3ccc(C#N)cc3OC(F)F)o2)c1 ZINC000439534064 864867644 /nfs/dbraw/zinc/86/76/44/864867644.db2.gz DEHAEEFCOGPVPB-UHFFFAOYSA-N 0 0 403.410 4.434 20 30 HIEDRN C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)N1CCc2ccccc2C1 ZINC000439535151 864868287 /nfs/dbraw/zinc/86/82/87/864868287.db2.gz GRMWTDIJNRSCGI-AWEZNQCLSA-N 0 0 402.466 4.366 20 30 HIEDRN C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000439539602 864870068 /nfs/dbraw/zinc/87/00/68/864870068.db2.gz GPKVCUIWKYEOHP-SUMWQHHRSA-N 0 0 418.465 4.421 20 30 HIEDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(F)c1 ZINC000439539350 864870237 /nfs/dbraw/zinc/87/02/37/864870237.db2.gz FYBHBKCYDORBOR-UHFFFAOYSA-N 0 0 403.413 4.162 20 30 HIEDRN C[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000439543758 864872651 /nfs/dbraw/zinc/87/26/51/864872651.db2.gz RFEQQYVAODFUAA-QGZVFWFLSA-N 0 0 402.454 4.279 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000439586563 864909499 /nfs/dbraw/zinc/90/94/99/864909499.db2.gz JAIYVEJJQKJKIR-UHFFFAOYSA-N 0 0 410.543 4.101 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000439594076 864915531 /nfs/dbraw/zinc/91/55/31/864915531.db2.gz HXWAAIMBZLZPMN-UHFFFAOYSA-N 0 0 405.926 4.388 20 30 HIEDRN CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000439598206 864920289 /nfs/dbraw/zinc/92/02/89/864920289.db2.gz PKFQKYFANIOUIZ-UHFFFAOYSA-N 0 0 414.893 4.254 20 30 HIEDRN C[C@H](Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)N(CCC#N)c1ccccc1 ZINC000439602794 864926493 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CCCc1c(NC(=O)Nc2cn(C)nc2C(F)(F)F)cnn1-c1cccc(C#N)c1 ZINC000439664273 864993025 /nfs/dbraw/zinc/99/30/25/864993025.db2.gz IGBPQQANOMTECJ-UHFFFAOYSA-N 0 0 417.395 4.093 20 30 HIEDRN CCCc1c(NC(=O)NCCc2nc(CC)c(C)s2)cnn1-c1cccc(C#N)c1 ZINC000439665845 864995963 /nfs/dbraw/zinc/99/59/63/864995963.db2.gz TUNUWWKCIWMULS-UHFFFAOYSA-N 0 0 422.558 4.388 20 30 HIEDRN N#CCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000439668072 864998738 /nfs/dbraw/zinc/99/87/38/864998738.db2.gz AEDUFNNGEPZQTC-FPOVZHCZSA-N 0 0 409.917 4.353 20 30 HIEDRN N#CCC[C@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 ZINC000439669986 865001082 /nfs/dbraw/zinc/00/10/82/865001082.db2.gz DJXHNGQHACKGJQ-FQEVSTJZSA-N 0 0 403.438 4.072 20 30 HIEDRN CCCc1c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C#N)c1 ZINC000439670220 865002197 /nfs/dbraw/zinc/00/21/97/865002197.db2.gz HSRMYVHOPJOOKF-UHFFFAOYSA-N 0 0 418.457 4.269 20 30 HIEDRN N#CCC[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)c1ccccc1 ZINC000439670366 865002482 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CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000439796780 865117290 /nfs/dbraw/zinc/11/72/90/865117290.db2.gz YUOBKMBSFKUWRR-QFIPXVFZSA-N 0 0 419.431 4.413 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C ZINC000439799698 865118763 /nfs/dbraw/zinc/11/87/63/865118763.db2.gz HPHIDNKJUFNLKM-UHFFFAOYSA-N 0 0 410.905 5.063 20 30 HIEDRN Cc1noc(C2CCC(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)n1 ZINC000439828525 865143501 /nfs/dbraw/zinc/14/35/01/865143501.db2.gz LVHZLIMRBUFNSH-UHFFFAOYSA-N 0 0 416.481 4.285 20 30 HIEDRN C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C)c1ccc(F)c(F)c1 ZINC000439853489 865161019 /nfs/dbraw/zinc/16/10/19/865161019.db2.gz DUPBKFIVQLRHIT-OAQYLSRUSA-N 0 0 424.451 4.046 20 30 HIEDRN C[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1ccc2ccccc2c1 ZINC000439888874 865201682 /nfs/dbraw/zinc/20/16/82/865201682.db2.gz QPBVJYZMVFOGKQ-SFHVURJKSA-N 0 0 423.520 4.332 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1ccccc1 ZINC000440010108 865309345 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COc1cc(OC)c2ncc(C#N)c(OCC(=O)Nc3c(C)cc(C)cc3C)c2c1 ZINC000440086438 865348303 /nfs/dbraw/zinc/34/83/03/865348303.db2.gz FYSGACOQNQIDBW-UHFFFAOYSA-N 0 0 405.454 4.066 20 30 HIEDRN CCCc1c(NC(=O)CCOc2ccc(OC)cc2)cnn1-c1cccc(C#N)c1 ZINC000440089041 865351866 /nfs/dbraw/zinc/35/18/66/865351866.db2.gz QOFATVZSKWQVBI-UHFFFAOYSA-N 0 0 404.470 4.113 20 30 HIEDRN CCCc1c(NC(=O)[C@H](O)[C@H](C)c2ccc(C)cc2)cnn1-c1cccc(C#N)c1 ZINC000440091588 865353015 /nfs/dbraw/zinc/35/30/15/865353015.db2.gz LGZRXHIXVGWYSP-UZUQRXQVSA-N 0 0 402.498 4.108 20 30 HIEDRN CCCc1c(NC(=O)Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc(C#N)c1 ZINC000440090413 865353162 /nfs/dbraw/zinc/35/31/62/865353162.db2.gz UVPQEGBSKGRCNF-UHFFFAOYSA-N 0 0 410.481 4.063 20 30 HIEDRN CCCc1c(NC(=O)COc2ccc(OCC)cc2)cnn1-c1cccc(C#N)c1 ZINC000440093020 865354166 /nfs/dbraw/zinc/35/41/66/865354166.db2.gz QULJSJDRWOKQJB-UHFFFAOYSA-N 0 0 404.470 4.113 20 30 HIEDRN COc1ccc(-c2nc(COc3c(C#N)cnc4c(OC)cc(OC)cc43)co2)cc1 ZINC000440097789 865356556 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HIEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3c3cccc(Cl)c3)cc2)c1N ZINC000444661326 868939920 /nfs/dbraw/zinc/93/99/20/868939920.db2.gz AHWYMWMDJBFTGH-FQEVSTJZSA-N 0 0 405.889 4.347 20 30 HIEDRN Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000444664152 868942216 /nfs/dbraw/zinc/94/22/16/868942216.db2.gz PZOOLMWRMXEBLK-QGZVFWFLSA-N 0 0 404.445 4.243 20 30 HIEDRN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1nc2ccccc2n1C(F)F ZINC000444674929 868953012 /nfs/dbraw/zinc/95/30/12/868953012.db2.gz KVNVOHZDAMFBPX-XXUFKVEXSA-N 0 0 417.504 4.401 20 30 HIEDRN CCOC(=O)[C@@H]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc21 ZINC000444693672 868961483 /nfs/dbraw/zinc/96/14/83/868961483.db2.gz IAYORFTXWJLKHG-JOCHJYFZSA-N 0 0 419.525 4.107 20 30 HIEDRN Cc1sc(NC(=O)CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c(C#N)c1C ZINC000444708572 868967856 /nfs/dbraw/zinc/96/78/56/868967856.db2.gz RQGAEDIYSQPMKL-KPZWWZAWSA-N 0 0 403.935 4.291 20 30 HIEDRN Cc1cc(Br)ccc1CN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444715367 868972531 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C=CC[C@@H]1N(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CCCC1(C)C ZINC000444903563 869091642 /nfs/dbraw/zinc/09/16/42/869091642.db2.gz YLQOOUGJUOFQCI-IBGZPJMESA-N 0 0 405.564 4.068 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)c(Cl)c1 ZINC000444924514 869108335 /nfs/dbraw/zinc/10/83/35/869108335.db2.gz SHNXZWSDJZPJOA-UHFFFAOYSA-N 0 0 408.889 4.085 20 30 HIEDRN CC(C)(C)c1nsc(Oc2ccc(NC(=O)N3CCO[C@H](C#N)C3)cc2Cl)n1 ZINC000445048136 869191462 /nfs/dbraw/zinc/19/14/62/869191462.db2.gz HCPGTSQRAMGETI-GFCCVEGCSA-N 0 0 421.910 4.038 20 30 HIEDRN CC(C)(C)[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccc(F)cc1F ZINC000468343461 882279140 /nfs/dbraw/zinc/27/91/40/882279140.db2.gz ZOCHYOKBCOUJTP-IBGZPJMESA-N 0 0 409.440 4.122 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CCn3c(cc4c3cccc4Cl)C2)ccc1Cl ZINC000445080995 869206122 /nfs/dbraw/zinc/20/61/22/869206122.db2.gz ZMARSQIHKIDSJV-UHFFFAOYSA-N 0 0 406.294 4.024 20 30 HIEDRN COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccc1F ZINC000445141515 869239753 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COc1cc(Cl)c(C)cc1NC(=O)Cc1noc(C2(c3cccc(C#N)c3)CC2)n1 ZINC000445325422 869384757 /nfs/dbraw/zinc/38/47/57/869384757.db2.gz ZJSWBXSLUUXBIQ-UHFFFAOYSA-N 0 0 422.872 4.173 20 30 HIEDRN C=CCNC(=O)Cc1noc(-c2ccc(-c3ccc(Br)s3)s2)n1 ZINC000445335051 869397429 /nfs/dbraw/zinc/39/74/29/869397429.db2.gz QPDRFWQRNXRWNO-UHFFFAOYSA-N 0 0 410.318 4.134 20 30 HIEDRN COc1ccc(NC(=O)Cc2noc(-c3cccc(SCC#N)c3)n2)cc1Cl ZINC000445373870 869450445 /nfs/dbraw/zinc/45/04/45/869450445.db2.gz FXZNKZINQUAZLM-UHFFFAOYSA-N 0 0 414.874 4.195 20 30 HIEDRN C[C@@H](Oc1ccc(C#N)cc1)c1nc(CC(=O)Nc2ccccc2C(F)(F)F)no1 ZINC000445420408 869503779 /nfs/dbraw/zinc/50/37/79/869503779.db2.gz WWPDCRBKHJLIJT-GFCCVEGCSA-N 0 0 416.359 4.281 20 30 HIEDRN Cc1cc(NC(=O)Cc2noc(/C=C/c3cccc(C#N)c3)n2)n(-c2ccc(C)cc2)n1 ZINC000445488009 869558003 /nfs/dbraw/zinc/55/80/03/869558003.db2.gz HCIPQWNMCPBHPD-DHZHZOJOSA-N 0 0 424.464 4.095 20 30 HIEDRN Cc1cc(NC(=O)Cc2noc(/C=C/c3ccccc3C#N)n2)n(-c2ccc(C)cc2)n1 ZINC000445489811 869559677 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CCCOc1cccc(CC(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000445565493 869623379 /nfs/dbraw/zinc/62/33/79/869623379.db2.gz UDYLXTWTQOHWQZ-UHFFFAOYSA-N 0 0 406.511 4.436 20 30 HIEDRN CSc1nn(-c2ccccc2)c(NC(=O)Cc2c[nH]c3cccc(C)c23)c1C#N ZINC000445564813 869623710 /nfs/dbraw/zinc/62/37/10/869623710.db2.gz QJTKYIAFAUNKMH-UHFFFAOYSA-N 0 0 401.495 4.437 20 30 HIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](c3ccsc3)C2)cc1C ZINC000468380210 882323096 /nfs/dbraw/zinc/32/30/96/882323096.db2.gz CEUFUBFMHRICDO-NRFANRHFSA-N 0 0 420.538 4.356 20 30 HIEDRN C=CCOc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2cccc(C)c2)c1 ZINC000445631300 869697844 /nfs/dbraw/zinc/69/78/44/869697844.db2.gz CBLQHUJUMRNFKK-UHFFFAOYSA-N 0 0 404.466 4.320 20 30 HIEDRN C=CCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl ZINC000468385011 882330708 /nfs/dbraw/zinc/33/07/08/882330708.db2.gz ULPGHCORNKLNFG-OAQYLSRUSA-N 0 0 409.917 4.245 20 30 HIEDRN N#Cc1ccc(CSc2nnc(NC(=O)Cc3c(F)cccc3F)s2)cc1 ZINC000445676697 869746550 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C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCO1 ZINC000461146596 874091825 /nfs/dbraw/zinc/09/18/25/874091825.db2.gz GFULKUIHRQPCSS-NRFANRHFSA-N 0 0 419.529 4.029 20 30 HIEDRN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461163699 874125062 /nfs/dbraw/zinc/12/50/62/874125062.db2.gz NCFQEIJIZXKJCA-KXBFYZLASA-N 0 0 423.467 4.471 20 30 HIEDRN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 ZINC000461163696 874125286 /nfs/dbraw/zinc/12/52/86/874125286.db2.gz NCFQEIJIZXKJCA-BEFAXECRSA-N 0 0 423.467 4.471 20 30 HIEDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)s1 ZINC000468660739 882796386 /nfs/dbraw/zinc/79/63/86/882796386.db2.gz IUZYGSUMMCYASU-OFNKIYASSA-N 0 0 409.555 4.423 20 30 HIEDRN Cc1cc(F)cc2c1CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCCO1)CC2 ZINC000461166492 874130462 /nfs/dbraw/zinc/13/04/62/874130462.db2.gz ZKROIHSZQUUBOX-NRFANRHFSA-N 0 0 417.488 4.006 20 30 HIEDRN C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1 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CCOCc1nc([C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)no1 ZINC000461243655 874245410 /nfs/dbraw/zinc/24/54/10/874245410.db2.gz MBLBWYDVGYMCBY-HNNXBMFYSA-N 0 0 406.442 4.070 20 30 HIEDRN CO[C@@H](C)c1noc(CCC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)n1 ZINC000468680912 882808123 /nfs/dbraw/zinc/80/81/23/882808123.db2.gz QFTYKVRQLGBGTC-LBPRGKRZSA-N 0 0 408.483 4.047 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCC[C@H]3Cc3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000461258152 874263393 /nfs/dbraw/zinc/26/33/93/874263393.db2.gz VQYDLBLPISGYMB-GOTSBHOMSA-N 0 0 413.525 4.207 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)cn1 ZINC000461281916 874289282 /nfs/dbraw/zinc/28/92/82/874289282.db2.gz LKNYCUPPTPWETK-UHFFFAOYSA-N 0 0 409.405 4.056 20 30 HIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000461285853 874292006 /nfs/dbraw/zinc/29/20/06/874292006.db2.gz RDOSFKXHDMPLPJ-UHFFFAOYSA-N 0 0 406.405 4.055 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCOc1ccc(C)cc1Cl ZINC000461291915 874297540 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ZINC000462100242 875208768 /nfs/dbraw/zinc/20/87/68/875208768.db2.gz HLROHFSWKAXOCC-VGOFRKELSA-N 0 0 414.513 4.761 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCC2(c3cccs3)CCCCC2)cn1 ZINC000462100293 875208977 /nfs/dbraw/zinc/20/89/77/875208977.db2.gz FFIOUVOESWJTDY-UHFFFAOYSA-N 0 0 406.515 4.224 20 30 HIEDRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000462101915 875210431 /nfs/dbraw/zinc/21/04/31/875210431.db2.gz AHOJBQQJUGUYBT-UHFFFAOYSA-N 0 0 407.861 4.388 20 30 HIEDRN CC1(C)CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccc21 ZINC000462102970 875211322 /nfs/dbraw/zinc/21/13/22/875211322.db2.gz OIUFBVSDERJSHF-KRWDZBQOSA-N 0 0 400.486 4.116 20 30 HIEDRN CCN(Cc1ccc2ccccc2c1)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000462106035 875212708 /nfs/dbraw/zinc/21/27/08/875212708.db2.gz VZNNWUGJYPMNCJ-UHFFFAOYSA-N 0 0 410.481 4.655 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(COc3ccccc3)c2)cn1 ZINC000462106443 875213087 /nfs/dbraw/zinc/21/30/87/875213087.db2.gz WZUGCKOFBWPBHA-UHFFFAOYSA-N 0 0 424.464 4.040 20 30 HIEDRN CC(C)(NC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1ccccc1Br ZINC000462122093 875224561 /nfs/dbraw/zinc/22/45/61/875224561.db2.gz RCVXYQCAUOGRLX-UHFFFAOYSA-N 0 0 409.287 4.172 20 30 HIEDRN C[C@H](C(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1cccc(C#N)c1 ZINC000462133617 875233415 /nfs/dbraw/zinc/23/34/15/875233415.db2.gz ZEMVLFBEDLBYLI-SFHVURJKSA-N 0 0 418.518 4.415 20 30 HIEDRN CC[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccccc1OC(F)F ZINC000462140879 875239778 /nfs/dbraw/zinc/23/97/78/875239778.db2.gz QCGBVJARRAOAAB-SFHVURJKSA-N 0 0 401.413 4.084 20 30 HIEDRN N#CC1(CS(=O)(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCCCC1 ZINC000462145280 875242921 /nfs/dbraw/zinc/24/29/21/875242921.db2.gz VOWZIAQJFSVLAZ-JCNLHEQBSA-N 0 0 411.365 4.089 20 30 HIEDRN N#Cc1cccc([C@H]2CN(C(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)CCO2)c1 ZINC000462156140 875251847 /nfs/dbraw/zinc/25/18/47/875251847.db2.gz LKTCIWUKVIVIKJ-FGZHOGPDSA-N 0 0 419.529 4.030 20 30 HIEDRN C[C@H](C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccc(C#N)c1 ZINC000462196943 875304961 /nfs/dbraw/zinc/30/49/61/875304961.db2.gz CGRUYFNVFRIGMW-BLLLJJGKSA-N 0 0 422.838 4.124 20 30 HIEDRN CCc1ccc(CNC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000462208041 875316352 /nfs/dbraw/zinc/31/63/52/875316352.db2.gz GPKKAPIECFGROG-UHFFFAOYSA-N 0 0 405.523 4.489 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)c1 ZINC000462249442 875370421 /nfs/dbraw/zinc/37/04/21/875370421.db2.gz ZYRDWAUDRFAYSE-LJQANCHMSA-N 0 0 417.868 4.139 20 30 HIEDRN CN(CCCc1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000462256523 875380502 /nfs/dbraw/zinc/38/05/02/875380502.db2.gz GKDKXNOCLRDESM-UHFFFAOYSA-N 0 0 415.902 4.120 20 30 HIEDRN C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000462264542 875390303 /nfs/dbraw/zinc/39/03/03/875390303.db2.gz ATAFKBSRQWZKMD-IBGZPJMESA-N 0 0 416.550 4.454 20 30 HIEDRN CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000462302006 875422788 /nfs/dbraw/zinc/42/27/88/875422788.db2.gz ZGOZPISBNGHYBA-OCCSQVGLSA-N 0 0 414.371 4.319 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)o1 ZINC000462379694 875491143 /nfs/dbraw/zinc/49/11/43/875491143.db2.gz LICKBOHWCHPBRF-QGZVFWFLSA-N 0 0 419.456 4.126 20 30 HIEDRN Cc1ccc(NC(=O)CC(C)(C)C#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000468892418 882938567 /nfs/dbraw/zinc/93/85/67/882938567.db2.gz JANPNQLQGPMRCH-UHFFFAOYSA-N 0 0 405.907 4.328 20 30 HIEDRN Cc1c(NC(=O)[C@H](C)c2cccc(C#N)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000462422802 875528772 /nfs/dbraw/zinc/52/87/72/875528772.db2.gz PVOSYFFPESJLGF-CYBMUJFWSA-N 0 0 413.403 4.268 20 30 HIEDRN C[C@H](NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc21)c1ccc(C#N)cc1 ZINC000462441433 875547373 /nfs/dbraw/zinc/54/73/73/875547373.db2.gz OFMZXYQARPXRIJ-AWEZNQCLSA-N 0 0 416.449 4.395 20 30 HIEDRN C[C@@H](c1ccsc1)N1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000462460622 875568585 /nfs/dbraw/zinc/56/85/85/875568585.db2.gz TWZFJQLZXWXTMD-SFHVURJKSA-N 0 0 406.555 4.178 20 30 HIEDRN COc1cc(CNC(=O)N(Cc2cccc(Br)c2)C(C)C)ccc1C#N ZINC000462469279 875575252 /nfs/dbraw/zinc/57/52/52/875575252.db2.gz AASDMBYJTRFZHY-UHFFFAOYSA-N 0 0 416.319 4.450 20 30 HIEDRN C[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000462472126 875577614 /nfs/dbraw/zinc/57/76/14/875577614.db2.gz KPWMBLFALXQATB-OAHLLOKOSA-N 0 0 401.304 4.099 20 30 HIEDRN COC(=O)c1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)cc1Br ZINC000462497392 875610627 /nfs/dbraw/zinc/61/06/27/875610627.db2.gz WRGFOKRBPMDSKH-GFCCVEGCSA-N 0 0 401.260 4.158 20 30 HIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000462537038 875657209 /nfs/dbraw/zinc/65/72/09/875657209.db2.gz KFNGPRZGWLBWOK-QFIPXVFZSA-N 0 0 421.497 4.387 20 30 HIEDRN COc1ccccc1-n1ncc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1C ZINC000462543912 875667291 /nfs/dbraw/zinc/66/72/91/875667291.db2.gz BTZASHWTUBBWLW-INIZCTEOSA-N 0 0 415.280 4.491 20 30 HIEDRN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000462548058 875671878 /nfs/dbraw/zinc/67/18/78/875671878.db2.gz HVJNDFVEDPKXFB-IPJJNNNSSA-N 0 0 420.900 4.293 20 30 HIEDRN COc1cc([C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C(F)(F)F)cc(OC)c1OC ZINC000462585540 875703818 /nfs/dbraw/zinc/70/38/18/875703818.db2.gz XJZWSIJPUKFFAX-HXPMCKFVSA-N 0 0 422.403 4.107 20 30 HIEDRN COC(=O)C[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000462601197 875715697 /nfs/dbraw/zinc/71/56/97/875715697.db2.gz HDFNAAVTRHRRNP-SCLBCKFNSA-N 0 0 404.388 4.101 20 30 HIEDRN COC(=O)C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000462601199 875715774 /nfs/dbraw/zinc/71/57/74/875715774.db2.gz HDFNAAVTRHRRNP-UGSOOPFHSA-N 0 0 404.388 4.101 20 30 HIEDRN CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468903145 882957152 /nfs/dbraw/zinc/95/71/52/882957152.db2.gz GOBCKMDEFJZMHH-QGZVFWFLSA-N 0 0 420.513 4.107 20 30 HIEDRN CN(CCOc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000462694763 875784382 /nfs/dbraw/zinc/78/43/82/875784382.db2.gz HARRQWHOTORRJQ-UHFFFAOYSA-N 0 0 408.479 4.050 20 30 HIEDRN N#Cc1cccc(-c2nnc(Cn3cc(Br)c(-c4ccc(F)cc4)n3)o2)c1 ZINC000462698300 875786618 /nfs/dbraw/zinc/78/66/18/875786618.db2.gz YAPIJEDUDWZMLJ-UHFFFAOYSA-N 0 0 424.233 4.422 20 30 HIEDRN N#Cc1cnc2ccc(Cl)cc2c1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000462789399 875841316 /nfs/dbraw/zinc/84/13/16/875841316.db2.gz JIWZEJKLBKLQER-UHFFFAOYSA-N 0 0 413.868 4.441 20 30 HIEDRN Cc1cc(-c2cccc(F)c2)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000462800005 875848513 /nfs/dbraw/zinc/84/85/13/875848513.db2.gz AOXFATRZHTVWGJ-UHFFFAOYSA-N 0 0 415.472 4.318 20 30 HIEDRN C=CCN(C(=O)c1cn(Cc2cccc(F)c2)nn1)c1nc(-c2ccccc2)cs1 ZINC000468915402 882974171 /nfs/dbraw/zinc/97/41/71/882974171.db2.gz GNKWJKDQBDUTNN-UHFFFAOYSA-N 0 0 419.485 4.422 20 30 HIEDRN C[C@@H](c1ccc(Br)cc1)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000462905083 875931135 /nfs/dbraw/zinc/93/11/35/875931135.db2.gz BSJAWEULCNZOAI-AWEZNQCLSA-N 0 0 415.291 4.112 20 30 HIEDRN COCCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000468917746 882978395 /nfs/dbraw/zinc/97/83/95/882978395.db2.gz HIVUVYUCRPLXGI-GOSISDBHSA-N 0 0 407.514 4.468 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462961450 875975494 /nfs/dbraw/zinc/97/54/94/875975494.db2.gz FNZYMQYHRRJPMD-LOSJGSFVSA-N 0 0 424.500 4.061 20 30 HIEDRN O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462961449 875975528 /nfs/dbraw/zinc/97/55/28/875975528.db2.gz FNZYMQYHRRJPMD-JWQCQUIFSA-N 0 0 424.500 4.061 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000462978987 875991381 /nfs/dbraw/zinc/99/13/81/875991381.db2.gz QOBIHWUFSCOHOV-AREMUKBSSA-N 0 0 412.489 4.435 20 30 HIEDRN C[C@H](NCc1ccc(C#N)cc1F)c1ccc(Br)cc1OCCCO ZINC000463026621 876045495 /nfs/dbraw/zinc/04/54/95/876045495.db2.gz AOXUPXTYQAQHEO-ZDUSSCGKSA-N 0 0 407.283 4.072 20 30 HIEDRN C=CCn1c(SCCC(=O)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 ZINC000463037909 876059878 /nfs/dbraw/zinc/05/98/78/876059878.db2.gz VDCMSJXEFNEOGS-HXUWFJFHSA-N 0 0 407.495 4.342 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ncc(C)cc1[N+](=O)[O-] ZINC000463055827 876083379 /nfs/dbraw/zinc/08/33/79/876083379.db2.gz OPPOAASRHSKDSF-UHFFFAOYSA-N 0 0 417.878 4.459 20 30 HIEDRN Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)c1nncs1 ZINC000463079292 876111123 /nfs/dbraw/zinc/11/11/23/876111123.db2.gz ZLZHRUVXJOWYKL-UHFFFAOYSA-N 0 0 413.528 4.153 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)c1ccccc1Sc1ccc(S(=O)(=O)CC)cc1 ZINC000463119232 876161965 /nfs/dbraw/zinc/16/19/65/876161965.db2.gz HMXHUSBZOUNIRC-MRXNPFEDSA-N 0 0 416.568 4.253 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2cn(Cc3cccs3)nn2)cc1 ZINC000463143066 876194629 /nfs/dbraw/zinc/19/46/29/876194629.db2.gz GZDXBPATKRTOJE-UHFFFAOYSA-N 0 0 401.451 4.304 20 30 HIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463162113 876217549 /nfs/dbraw/zinc/21/75/49/876217549.db2.gz OWIIZNDMGBPKHI-JTQLQIEISA-N 0 0 402.241 4.056 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000463181107 876238653 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418.497 4.225 20 30 HIEDRN COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000464705541 877927666 /nfs/dbraw/zinc/92/76/66/877927666.db2.gz ATSFMMSAJXLIQS-NRFANRHFSA-N 0 0 402.498 4.145 20 30 HIEDRN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000464712454 877938798 /nfs/dbraw/zinc/93/87/98/877938798.db2.gz QQMPGHHLNXLVTE-NRFANRHFSA-N 0 0 402.498 4.275 20 30 HIEDRN CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000464744378 877977951 /nfs/dbraw/zinc/97/79/51/877977951.db2.gz IULRUIGODFELND-OAHLLOKOSA-N 0 0 406.442 4.022 20 30 HIEDRN COc1ccc(OC(F)F)c(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000464751896 877989908 /nfs/dbraw/zinc/98/99/08/877989908.db2.gz MYGOOYQXWPOBJD-RBUKOAKNSA-N 0 0 415.440 4.278 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC(C(F)(F)F)CC2)c1C#N ZINC000464771554 878014373 /nfs/dbraw/zinc/01/43/73/878014373.db2.gz HEWKDGZFBUZXBN-UHFFFAOYSA-N 0 0 418.463 4.238 20 30 HIEDRN Cn1ncc(CS(=O)(=O)Cc2ccc(-c3ccccc3C#N)cc2)c1C(F)(F)F 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HEOWQFXUROOGMN-FGZHOGPDSA-N 0 0 417.488 4.030 20 30 HIEDRN N#Cc1c(NC(=O)CCN2CCC[C@H]2[C@H](C#N)c2ccccc2)sc2c1CCC2 ZINC000464829893 878084720 /nfs/dbraw/zinc/08/47/20/878084720.db2.gz OXUJJACADKKQRR-QUCCMNQESA-N 0 0 404.539 4.209 20 30 HIEDRN C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)CO1 ZINC000464836218 878098925 /nfs/dbraw/zinc/09/89/25/878098925.db2.gz VZLIWCOBUIBHFH-JXFKEZNVSA-N 0 0 409.555 4.289 20 30 HIEDRN C=CCn1c(SCc2cnn(C)c2C(F)(F)F)nnc1-c1ccccc1OC ZINC000464839250 878103144 /nfs/dbraw/zinc/10/31/44/878103144.db2.gz QGERNJQFTDVIFJ-UHFFFAOYSA-N 0 0 409.437 4.184 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nncn2-c2ccccc2)cc1 ZINC000464852389 878130940 /nfs/dbraw/zinc/13/09/40/878130940.db2.gz CIELQEMCWGSSTE-UHFFFAOYSA-N 0 0 409.449 4.170 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000464856440 878136247 /nfs/dbraw/zinc/13/62/47/878136247.db2.gz MHSYEZDTJPGYTR-UHFFFAOYSA-N 0 0 413.477 4.291 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nc(-c3ccncc3)no2)cc1 ZINC000464856560 878137084 /nfs/dbraw/zinc/13/70/84/878137084.db2.gz KUDMLKCFTKVWKY-UHFFFAOYSA-N 0 0 411.421 4.034 20 30 HIEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(c1ccc(F)cc1)C1CCCC1 ZINC000464857799 878139123 /nfs/dbraw/zinc/13/91/23/878139123.db2.gz VOSLYRBWTKEVRF-UHFFFAOYSA-N 0 0 403.461 4.271 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1 ZINC000464861245 878141616 /nfs/dbraw/zinc/14/16/16/878141616.db2.gz ZEKKSTSGGQUSSI-KRWDZBQOSA-N 0 0 415.497 4.468 20 30 HIEDRN CC[C@H](NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1nc(C(F)(F)F)cs1 ZINC000503338833 912316315 /nfs/dbraw/zinc/31/63/15/912316315.db2.gz DLXJEALVVKOXLP-AWEZNQCLSA-N 0 0 419.432 4.409 20 30 HIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3occc3-c3ccc(F)cc3)CC2)cc1 ZINC000503341405 912318428 /nfs/dbraw/zinc/31/84/28/912318428.db2.gz SUVMHZTXDGOJSZ-UHFFFAOYSA-N 0 0 403.457 4.305 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCc2nnc3ccccn32)cc1 ZINC000464918356 878239392 /nfs/dbraw/zinc/23/93/92/878239392.db2.gz QATHJMOFGDPVJS-UHFFFAOYSA-N 0 0 411.465 4.064 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000464919558 878241790 /nfs/dbraw/zinc/24/17/90/878241790.db2.gz NSMCNPJTZLKPPO-GOSISDBHSA-N 0 0 413.477 4.094 20 30 HIEDRN Cc1cccc(C(=O)NCCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1 ZINC000464923375 878247641 /nfs/dbraw/zinc/24/76/41/878247641.db2.gz XFMNCSSRYOMKKL-UHFFFAOYSA-N 0 0 413.477 4.127 20 30 HIEDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000464926728 878251435 /nfs/dbraw/zinc/25/14/35/878251435.db2.gz NTBYMCHXYCOECG-FQEVSTJZSA-N 0 0 419.525 4.428 20 30 HIEDRN COCCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000464931893 878260371 /nfs/dbraw/zinc/26/03/71/878260371.db2.gz LVTWJPNLNBCGKG-UHFFFAOYSA-N 0 0 401.466 4.343 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000464935863 878266872 /nfs/dbraw/zinc/26/68/72/878266872.db2.gz ALNCQGMDGRBXIF-IFMALSPDSA-N 0 0 404.901 4.497 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(Br)cc1F ZINC000464943471 878279882 /nfs/dbraw/zinc/27/98/82/878279882.db2.gz UGFXQJYNLGTTQL-SJLPKXTDSA-N 0 0 417.278 4.265 20 30 HIEDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464944918 878281585 /nfs/dbraw/zinc/28/15/85/878281585.db2.gz YZEJQHYSUSCEMA-VEXUSMLFSA-N 0 0 404.510 4.274 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1OC(F)F ZINC000464949321 878288470 /nfs/dbraw/zinc/28/84/70/878288470.db2.gz HBGCMIVGDQHKOQ-DLBZAZTESA-N 0 0 416.424 4.217 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000464952038 878289389 /nfs/dbraw/zinc/28/93/89/878289389.db2.gz MWRFZXDIBPPYSJ-BBITVKMKSA-N 0 0 407.558 4.150 20 30 HIEDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464958944 878298260 /nfs/dbraw/zinc/29/82/60/878298260.db2.gz ZVOBCNGUEMCUDH-DHIUTWEWSA-N 0 0 403.526 4.213 20 30 HIEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2)cc1 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XEAGMNYSBMPAKA-XJKSGUPXSA-N 0 0 415.540 4.004 20 30 HIEDRN CN(C)c1cc(CNC(=O)CCCCOc2cccc(C#N)c2)c2ccccc2n1 ZINC000465104675 878478401 /nfs/dbraw/zinc/47/84/01/878478401.db2.gz VBCCWBKZCKAKND-UHFFFAOYSA-N 0 0 402.498 4.038 20 30 HIEDRN C=C(CNC(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccccc1 ZINC000503372366 912352990 /nfs/dbraw/zinc/35/29/90/912352990.db2.gz KFDYQCFMXKSDSY-UHFFFAOYSA-N 0 0 413.275 4.012 20 30 HIEDRN COc1cccc(NC2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)c1 ZINC000465142661 878523764 /nfs/dbraw/zinc/52/37/64/878523764.db2.gz AMWWKAUSUZHKOT-UHFFFAOYSA-N 0 0 424.570 4.082 20 30 HIEDRN CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)c1 ZINC000465247801 878670208 /nfs/dbraw/zinc/67/02/08/878670208.db2.gz CGBYBNZMDHJNAR-DLBZAZTESA-N 0 0 424.574 4.290 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(F)c1C ZINC000465278510 878714872 /nfs/dbraw/zinc/71/48/72/878714872.db2.gz PPNVVQYBRHPHKZ-UHFFFAOYSA-N 0 0 407.239 4.185 20 30 HIEDRN CC(=O)N(C)c1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)c1 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RUXPYWUHJITXDG-FQEVSTJZSA-N 0 0 401.514 4.482 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccoc3)C3CCCCC3)C2)n1 ZINC000471424431 886079596 /nfs/dbraw/zinc/07/95/96/886079596.db2.gz MZZHPFZISMAORZ-OAQYLSRUSA-N 0 0 406.530 4.433 20 30 HIEDRN C=CCn1c(SC[C@@H](O)COc2cccc3[nH]ccc32)nnc1-c1cccc(C)c1 ZINC000471425361 886081270 /nfs/dbraw/zinc/08/12/70/886081270.db2.gz AUOCQISVBQAYEZ-SFHVURJKSA-N 0 0 420.538 4.453 20 30 HIEDRN C=CCn1c(S[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)nnc1C1CC1 ZINC000471440489 886103169 /nfs/dbraw/zinc/10/31/69/886103169.db2.gz BHKHIRSOUPMKMW-OAHLLOKOSA-N 0 0 408.449 4.258 20 30 HIEDRN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)nn1CCC#N ZINC000504100725 913011728 /nfs/dbraw/zinc/01/17/28/913011728.db2.gz OOMZBQFJLVDHHN-YADHBBJMSA-N 0 0 400.482 4.426 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000471502984 886204428 /nfs/dbraw/zinc/20/44/28/886204428.db2.gz DITNZRMGEXNKCH-TZIWHRDSSA-N 0 0 407.489 4.305 20 30 HIEDRN CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000471565897 886275020 /nfs/dbraw/zinc/27/50/20/886275020.db2.gz KNNPJSRUJHAQLA-UHFFFAOYSA-N 0 0 404.289 4.017 20 30 HIEDRN COC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000471607203 886322573 /nfs/dbraw/zinc/32/25/73/886322573.db2.gz XWUGZHUMALDROJ-HSZRJFAPSA-N 0 0 400.478 4.125 20 30 HIEDRN COCCOc1ccc(C(F)(F)F)cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000471616161 886331579 /nfs/dbraw/zinc/33/15/79/886331579.db2.gz AANHUICLKQWHCD-UHFFFAOYSA-N 0 0 418.375 4.264 20 30 HIEDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000471638066 886355542 /nfs/dbraw/zinc/35/55/42/886355542.db2.gz HPDUCDACVYAHFC-CALCHBBNSA-N 0 0 415.497 4.338 20 30 HIEDRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000471683809 886391313 /nfs/dbraw/zinc/39/13/13/886391313.db2.gz XVMRNTUATSLIAV-HXUWFJFHSA-N 0 0 408.889 4.015 20 30 HIEDRN Cn1cc(CCNC(=O)c2occc2COc2cccc(C#N)c2)c2ccc(F)cc21 ZINC000471681876 886392263 /nfs/dbraw/zinc/39/22/63/886392263.db2.gz BHAFFUGIRCRXAO-UHFFFAOYSA-N 0 0 417.440 4.334 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nnc(Cc2cccc(OC)c2)s1 ZINC000504149934 913045605 /nfs/dbraw/zinc/04/56/05/913045605.db2.gz XSVCNWIZVIHZPQ-UHFFFAOYSA-N 0 0 419.510 4.229 20 30 HIEDRN N#Cc1ccccc1N1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000471764400 886498155 /nfs/dbraw/zinc/49/81/55/886498155.db2.gz ZXRUMBNOSWVNLY-UHFFFAOYSA-N 0 0 401.432 4.249 20 30 HIEDRN CC(C)Oc1cc(Br)cc(C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000471862225 886637163 /nfs/dbraw/zinc/63/71/63/886637163.db2.gz KSHIBSDFOHQCEX-UHFFFAOYSA-N 0 0 402.292 4.187 20 30 HIEDRN Cn1c(COc2ccc(Br)cc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000471879268 886661117 /nfs/dbraw/zinc/66/11/17/886661117.db2.gz AGIMEFUUMJTZLT-UHFFFAOYSA-N 0 0 403.667 4.349 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(Cc3ccc(F)cc3)CC3CC3)C2)n1 ZINC000471903490 886686280 /nfs/dbraw/zinc/68/62/80/886686280.db2.gz SYJHECGCQWVXAD-OAQYLSRUSA-N 0 0 406.505 4.056 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000471903432 886686462 /nfs/dbraw/zinc/68/64/62/886686462.db2.gz SLAOKTJOHYMJEO-UHFFFAOYSA-N 0 0 416.525 4.039 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(Oc4ccncc4)c3)C2)n1 ZINC000471929593 886722287 /nfs/dbraw/zinc/72/22/87/886722287.db2.gz FHAWKQFYUDJHJM-LJQANCHMSA-N 0 0 413.481 4.304 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(Oc4ccncc4)cc3)C2)n1 ZINC000471937119 886734111 /nfs/dbraw/zinc/73/41/11/886734111.db2.gz OQCUUWFCLALHJX-IBGZPJMESA-N 0 0 413.481 4.304 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000471946872 886748946 /nfs/dbraw/zinc/74/89/46/886748946.db2.gz CJHKYCCLQWOGKH-OAQYLSRUSA-N 0 0 423.476 4.201 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000471951163 886757730 /nfs/dbraw/zinc/75/77/30/886757730.db2.gz CXCMIHMBZKPTQM-HXUWFJFHSA-N 0 0 415.497 4.287 20 30 HIEDRN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000504195849 913079051 /nfs/dbraw/zinc/07/90/51/913079051.db2.gz RYBGZUCCMPXUOY-YJYMSZOUSA-N 0 0 416.308 4.280 20 30 HIEDRN Cc1ccnc(-n2nccc2NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000471971462 886802543 /nfs/dbraw/zinc/80/25/43/886802543.db2.gz AZQDFDNMOCDWOQ-UHFFFAOYSA-N 0 0 408.465 4.436 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc4[nH]c(C5CCC5)nc4c3)C2)n1 ZINC000471976035 886807041 /nfs/dbraw/zinc/80/70/41/886807041.db2.gz DLNOXTIMYAOWAE-GOSISDBHSA-N 0 0 414.513 4.261 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000472018823 886840912 /nfs/dbraw/zinc/84/09/12/886840912.db2.gz WGJXWPUNAFTGOQ-XLIONFOSSA-N 0 0 414.292 4.147 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000472041943 886858926 /nfs/dbraw/zinc/85/89/26/886858926.db2.gz OWWWZHVORXNWJT-INIZCTEOSA-N 0 0 401.532 4.477 20 30 HIEDRN CC(C)(C)c1csc(C2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)n1 ZINC000472085184 886884738 /nfs/dbraw/zinc/88/47/38/886884738.db2.gz KQNIUVMJWVUTTM-LJQANCHMSA-N 0 0 406.555 4.401 20 30 HIEDRN CCCCN([C@H](CC)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000472094050 886889735 /nfs/dbraw/zinc/88/97/35/886889735.db2.gz LGZNFQYWDSQAQQ-GOSISDBHSA-N 0 0 401.488 4.409 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000472122365 886909753 /nfs/dbraw/zinc/90/97/53/886909753.db2.gz NZTTXPIZULPZJX-ZAAXVRCTSA-N 0 0 412.452 4.302 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000472175056 886975499 /nfs/dbraw/zinc/97/54/99/886975499.db2.gz LXNJXBAOAVMROI-UHFFFAOYSA-N 0 0 406.935 4.031 20 30 HIEDRN N#C[C@@]1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCc2ccccc2C1 ZINC000472253677 887062954 /nfs/dbraw/zinc/06/29/54/887062954.db2.gz AVTLOHUCYUBGMG-HSZRJFAPSA-N 0 0 405.885 4.495 20 30 HIEDRN N#C[C@]1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCc2ccccc2C1 ZINC000472260048 887072345 /nfs/dbraw/zinc/07/23/45/887072345.db2.gz PYOXKYQLDFPBFX-NRFANRHFSA-N 0 0 424.913 4.050 20 30 HIEDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)c12 ZINC000472263100 887075935 /nfs/dbraw/zinc/07/59/35/887075935.db2.gz RUGVJCMOXWCHEK-AREMUKBSSA-N 0 0 421.504 4.125 20 30 HIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472269088 887085450 /nfs/dbraw/zinc/08/54/50/887085450.db2.gz LXWZMZZNTYBLAQ-QHCPKHFHSA-N 0 0 421.932 4.300 20 30 HIEDRN CC1CCN(c2ccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)cc2[N+](=O)[O-])CC1 ZINC000472279069 887095972 /nfs/dbraw/zinc/09/59/72/887095972.db2.gz UFRHLEYOBKZUDZ-XMMPIXPASA-N 0 0 418.497 4.012 20 30 HIEDRN C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000504243186 913110794 /nfs/dbraw/zinc/11/07/94/913110794.db2.gz FWXQSGMMIZIMLK-QGZVFWFLSA-N 0 0 401.466 4.390 20 30 HIEDRN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504259485 913123633 /nfs/dbraw/zinc/12/36/33/913123633.db2.gz YYOBBELXKBQSLU-KRWDZBQOSA-N 0 0 422.488 4.121 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)NC(=O)CSCc3ccc(C#N)cc3)n2)cc1 ZINC000472377013 887218326 /nfs/dbraw/zinc/21/83/26/887218326.db2.gz XYSGBRLDZZUFLG-OAHLLOKOSA-N 0 0 406.511 4.281 20 30 HIEDRN C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000472455131 887309165 /nfs/dbraw/zinc/30/91/65/887309165.db2.gz KEXKGRRNMIVVAO-INIZCTEOSA-N 0 0 406.486 4.424 20 30 HIEDRN N#CCCn1cc(C(=O)CN(Cc2ccccc2)C[C@@H]2CCCO2)c2ccccc21 ZINC000472454561 887309697 /nfs/dbraw/zinc/30/96/97/887309697.db2.gz RNRHNPDBSWKYPC-NRFANRHFSA-N 0 0 401.510 4.419 20 30 HIEDRN Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)c21 ZINC000472496050 887364826 /nfs/dbraw/zinc/36/48/26/887364826.db2.gz ICEDPXBSFKXQER-UHFFFAOYSA-N 0 0 410.433 4.419 20 30 HIEDRN N#Cc1ccc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C(F)(F)F ZINC000472508695 887375241 /nfs/dbraw/zinc/37/52/41/887375241.db2.gz ZWTSIWSNEPZDQL-MRXNPFEDSA-N 0 0 401.367 4.402 20 30 HIEDRN Cc1nc2cc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)ccc2n1Cc1ccsc1 ZINC000472521322 887392012 /nfs/dbraw/zinc/39/20/12/887392012.db2.gz MIUGEJSNNDNALY-GOSISDBHSA-N 0 0 401.495 4.351 20 30 HIEDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000472547180 887427924 /nfs/dbraw/zinc/42/79/24/887427924.db2.gz KMELEAGALALSCA-NVXWUHKLSA-N 0 0 422.872 4.157 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCc1cc(F)c(F)c(F)c1 ZINC000504300367 913151245 /nfs/dbraw/zinc/15/12/45/913151245.db2.gz XHWNNHIVBIFCCC-UHFFFAOYSA-N 0 0 400.322 4.016 20 30 HIEDRN C[C@@H](Oc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1)c1ccccc1 ZINC000472657115 887517703 /nfs/dbraw/zinc/51/77/03/887517703.db2.gz WPTJAZMRLSTGJG-LJQANCHMSA-N 0 0 412.493 4.056 20 30 HIEDRN C[C@@H](NC(=O)C1(C#N)CCCCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000472672609 887527919 /nfs/dbraw/zinc/52/79/19/887527919.db2.gz SMUPSQCUBCXYIE-GFCCVEGCSA-N 0 0 403.280 4.150 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000472681777 887536546 /nfs/dbraw/zinc/53/65/46/887536546.db2.gz GHDSNUGWZDVUNE-JTQLQIEISA-N 0 0 423.229 4.147 20 30 HIEDRN COC[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc(C)o1 ZINC000472688382 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C=CCCOCCCCC(=O)NCc1ccc(I)cc1Cl ZINC000478532685 893834507 /nfs/dbraw/zinc/83/45/07/893834507.db2.gz BFJVSKMAVUIKCV-UHFFFAOYSA-N 0 0 421.706 4.324 20 30 HIEDRN COc1ccc(-c2nnc(SCC#Cc3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000478542952 893841303 /nfs/dbraw/zinc/84/13/03/893841303.db2.gz PQYGKPSWTCLEBI-OAQYLSRUSA-N 0 0 405.523 4.277 20 30 HIEDRN COc1ccc(-c2nnc(SCc3ccc(C#N)c(F)c3)n2C[C@@H]2CCCO2)cc1 ZINC000478543582 893841761 /nfs/dbraw/zinc/84/17/61/893841761.db2.gz UHDUASKQMYOSDN-IBGZPJMESA-N 0 0 424.501 4.436 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@H]1CCc2ccccc2NC1=O ZINC000478550587 893844819 /nfs/dbraw/zinc/84/48/19/893844819.db2.gz FZGPUBRHTJYKDY-IBGZPJMESA-N 0 0 424.501 4.228 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCc1ccc(C)cc1Br ZINC000478602516 893868959 /nfs/dbraw/zinc/86/89/59/893868959.db2.gz ZFFPBOCCKVAUME-UHFFFAOYSA-N 0 0 424.302 4.090 20 30 HIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CCc1cccc2ccccc21 ZINC000505101688 913817588 /nfs/dbraw/zinc/81/75/88/913817588.db2.gz 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HIEDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487971923 902498612 /nfs/dbraw/zinc/49/86/12/902498612.db2.gz XMBNMSYCHNVAJQ-KRWDZBQOSA-N 0 0 402.292 4.126 20 30 HIEDRN Cn1c(SCc2ccccc2C(C)(C)C#N)nnc1[C@@H]1COc2ccccc2O1 ZINC000487982658 902504453 /nfs/dbraw/zinc/50/44/53/902504453.db2.gz SGCXRAJMUBZWMN-IBGZPJMESA-N 0 0 406.511 4.421 20 30 HIEDRN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487998677 902521466 /nfs/dbraw/zinc/52/14/66/902521466.db2.gz ZNONRTFQIATOKK-SGTLLEGYSA-N 0 0 400.276 4.177 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488007302 902526797 /nfs/dbraw/zinc/52/67/97/902526797.db2.gz BXILYXHZDYRLAR-UHFFFAOYSA-N 0 0 403.413 4.377 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000488036029 902554043 /nfs/dbraw/zinc/55/40/43/902554043.db2.gz YVRBDSOWWUYSLF-ZDUSSCGKSA-N 0 0 417.922 4.354 20 30 HIEDRN Cc1ccc2ncc(C#N)c(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)c2c1 ZINC000488092835 902596533 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CSc1cc(C(=O)COc2c(C#N)cnc3ccc(C)cc32)ccc1NC(C)=O ZINC000488287790 902750248 /nfs/dbraw/zinc/75/02/48/902750248.db2.gz RGMISLNYTMTNLX-UHFFFAOYSA-N 0 0 405.479 4.357 20 30 HIEDRN C=CC[C@@H](C(=O)NCCc1ccc(I)s1)c1ccccc1 ZINC000488316248 902763545 /nfs/dbraw/zinc/76/35/45/902763545.db2.gz SBUPHMAINOFEQU-OAHLLOKOSA-N 0 0 411.308 4.371 20 30 HIEDRN C=CC[C@@H](C(=O)NCc1cc(OC)c(OC)cc1Br)c1ccccc1 ZINC000488335020 902771322 /nfs/dbraw/zinc/77/13/22/902771322.db2.gz ROOLSDQNBJDSTL-MRXNPFEDSA-N 0 0 404.304 4.442 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000505988038 914656204 /nfs/dbraw/zinc/65/62/04/914656204.db2.gz XDOBYZWDDSAEPJ-CVEARBPZSA-N 0 0 421.444 4.143 20 30 HIEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)CC2)cc1 ZINC000488370875 902783844 /nfs/dbraw/zinc/78/38/44/902783844.db2.gz RHRQILSTUMLQAA-ZYKOEDHHSA-N 0 0 417.553 4.394 20 30 HIEDRN N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000505990150 914657526 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CC[C@H](C)Oc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000495093905 906235116 /nfs/dbraw/zinc/23/51/16/906235116.db2.gz NOAKRYVKJQBRDK-SFHVURJKSA-N 0 0 414.509 4.246 20 30 HIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)CCCOc1ccc2c(c1)NC(=O)CC2 ZINC000495102249 906241422 /nfs/dbraw/zinc/24/14/22/906241422.db2.gz JMNZQHHXKSHUOC-UHFFFAOYSA-N 0 0 407.470 4.028 20 30 HIEDRN C=C(C)CN(CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1cnn(C(C)C)c1 ZINC000512531129 921219239 /nfs/dbraw/zinc/21/92/39/921219239.db2.gz DEOXVACHXAPXOG-UHFFFAOYSA-N 0 0 406.933 4.293 20 30 HIEDRN C=CCc1cc(CNC(=O)N[C@@H](COC)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000495178278 906289078 /nfs/dbraw/zinc/28/90/78/906289078.db2.gz QHRQEMNLJALWPW-IBGZPJMESA-N 0 0 418.921 4.273 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(I)c(Cl)c1)c1ccc(F)cc1 ZINC000495184110 906294677 /nfs/dbraw/zinc/29/46/77/906294677.db2.gz MOKSRMDIFVNNEA-AWEZNQCLSA-N 0 0 414.605 4.078 20 30 HIEDRN C[C@H](NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[C@@H](O)Cc1ccccc1 ZINC000495192023 906299658 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HIEDRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000496309411 906653919 /nfs/dbraw/zinc/65/39/19/906653919.db2.gz ZMBCHSWEKVLUCH-HNNXBMFYSA-N 0 0 413.300 4.271 20 30 HIEDRN C[C@@H]1[C@H](C)OCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496320908 906657456 /nfs/dbraw/zinc/65/74/56/906657456.db2.gz FBGPQHHVDHJJNK-NEPJUHHUSA-N 0 0 424.448 4.265 20 30 HIEDRN N#C[C@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 ZINC000496337132 906661456 /nfs/dbraw/zinc/66/14/56/906661456.db2.gz DXFSWASYLQEJKC-HNNXBMFYSA-N 0 0 413.193 4.271 20 30 HIEDRN N#C[C@@H](NC(=O)c1ccc(Br)c(F)c1)c1cccc(Br)c1 ZINC000496360562 906666415 /nfs/dbraw/zinc/66/64/15/906666415.db2.gz WUYVXNYXEBNZFY-CQSZACIVSA-N 0 0 412.056 4.345 20 30 HIEDRN C=CCOc1ccc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2C)cc1OC ZINC000512600619 921255706 /nfs/dbraw/zinc/25/57/06/921255706.db2.gz YDRPDYCCVQIBFM-UHFFFAOYSA-N 0 0 418.559 4.257 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000512601180 921255996 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Cc1ccc(-n2nc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)c3c2CCCC3)cc1 ZINC000497964248 907432486 /nfs/dbraw/zinc/43/24/86/907432486.db2.gz RFJOAMVVGKVCIS-UHFFFAOYSA-N 0 0 422.492 4.369 20 30 HIEDRN CC(C)[C@H](NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1ccccc1Cl ZINC000497976915 907449912 /nfs/dbraw/zinc/44/99/12/907449912.db2.gz VPPRRMMWZSEDAQ-NRFANRHFSA-N 0 0 411.933 4.462 20 30 HIEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccs2)C(CC)CC)c1 ZINC000497983357 907458274 /nfs/dbraw/zinc/45/82/74/907458274.db2.gz BPYBLSYCBNYPPH-LJQANCHMSA-N 0 0 406.573 4.120 20 30 HIEDRN C=CCNc1ncc(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)s1 ZINC000498100281 907607998 /nfs/dbraw/zinc/60/79/98/907607998.db2.gz CHTHRXRTECEAEJ-LBPRGKRZSA-N 0 0 407.364 4.376 20 30 HIEDRN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000498105428 907613084 /nfs/dbraw/zinc/61/30/84/907613084.db2.gz KOOCELFXEZJAKJ-AWEZNQCLSA-N 0 0 402.853 4.188 20 30 HIEDRN COc1ccccc1[C@@H](NC(=O)N1CCC(F)(C#N)CC1)c1ccccc1Cl ZINC000498143079 907665873 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HIEDRN C=CCn1c(COc2ccccc2F)nnc1N1CCc2[nH]c3ccccc3c2C1 ZINC000516216213 923606247 /nfs/dbraw/zinc/60/62/47/923606247.db2.gz CCPVMLJXRNDUPP-UHFFFAOYSA-N 0 0 403.461 4.226 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(C)(C)C)C1 ZINC000516317968 923660319 /nfs/dbraw/zinc/66/03/19/923660319.db2.gz APFKFAVWPUBXEZ-SFHVURJKSA-N 0 0 416.591 4.187 20 30 HIEDRN C=CCc1cc(CNc2cccc(F)c2Cn2cccc(C)c2=O)cc(OC)c1O ZINC000516339203 923675276 /nfs/dbraw/zinc/67/52/76/923675276.db2.gz KQTMVCNNXNEJLN-UHFFFAOYSA-N 0 0 408.473 4.399 20 30 HIEDRN C=CCn1c(COc2ccccc2F)nnc1N1CCc2cc(OCC)ccc2C1 ZINC000516349283 923682150 /nfs/dbraw/zinc/68/21/50/923682150.db2.gz HTQYHXUKHDBLIK-UHFFFAOYSA-N 0 0 408.477 4.144 20 30 HIEDRN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000516368162 923695733 /nfs/dbraw/zinc/69/57/33/923695733.db2.gz IORTVAKFVWZBMT-HDICACEKSA-N 0 0 405.498 4.003 20 30 HIEDRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000516368164 923697040 /nfs/dbraw/zinc/69/70/40/923697040.db2.gz IORTVAKFVWZBMT-ROUUACIJSA-N 0 0 405.498 4.003 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)c1scc(C)c1I ZINC000516499170 923762151 /nfs/dbraw/zinc/76/21/51/923762151.db2.gz AQRKNHVMHLSTPM-UHFFFAOYSA-N 0 0 411.268 4.217 20 30 HIEDRN N#Cc1cc(Oc2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2)ccn1 ZINC000516608521 923814322 /nfs/dbraw/zinc/81/43/22/923814322.db2.gz QMJYPPOUUJQEDS-UHFFFAOYSA-N 0 0 413.462 4.445 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000516615340 923817431 /nfs/dbraw/zinc/81/74/31/923817431.db2.gz DTXMQENZNCZUNT-SFHVURJKSA-N 0 0 403.482 4.470 20 30 HIEDRN COc1ccc(OC2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1 ZINC000516618151 923818661 /nfs/dbraw/zinc/81/86/61/923818661.db2.gz KDMAJWPRLYLTLA-UHFFFAOYSA-N 0 0 409.486 4.429 20 30 HIEDRN C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc([S@](C)=O)cc1 ZINC000516654556 923830889 /nfs/dbraw/zinc/83/08/89/923830889.db2.gz FTEIKRUZZAPJMG-JGVYIQDASA-N 0 0 420.494 4.366 20 30 HIEDRN C=CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC000516667136 923835261 /nfs/dbraw/zinc/83/52/61/923835261.db2.gz WTXIMORJLOAOFO-QFIPXVFZSA-N 0 0 404.514 4.238 20 30 HIEDRN COC[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000516678704 923841335 /nfs/dbraw/zinc/84/13/35/923841335.db2.gz BIQFULHUXOIHAN-OAQYLSRUSA-N 0 0 413.905 4.152 20 30 HIEDRN C=CCn1c(-c2cccc(C)n2)nnc1N1CCc2c(Br)cccc2C1 ZINC000516688162 923845762 /nfs/dbraw/zinc/84/57/62/923845762.db2.gz SZNZVOLDQPFUCJ-UHFFFAOYSA-N 0 0 410.319 4.160 20 30 HIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000516789563 923888771 /nfs/dbraw/zinc/88/87/71/923888771.db2.gz GJGYFAZZJPZZJF-HXUWFJFHSA-N 0 0 423.605 4.132 20 30 HIEDRN CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)Nc1n[nH]c(C2CC2)c1C#N)OCC3 ZINC000516803818 923893740 /nfs/dbraw/zinc/89/37/40/923893740.db2.gz BEOQAZZYYOHTKG-XMMPIXPASA-N 0 0 417.513 4.409 20 30 HIEDRN CCOC(=O)c1sc2nc(CN(C)C)nc(N[C@H](C)c3ccc(C#N)cc3)c2c1C ZINC000516827579 923908407 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CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000517060803 923981634 /nfs/dbraw/zinc/98/16/34/923981634.db2.gz RMIJFRTUFCNKGB-URZJWIJPSA-N 0 0 420.513 4.261 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000517112175 924003293 /nfs/dbraw/zinc/00/32/93/924003293.db2.gz VRCHMKDKEPPMSZ-UHFFFAOYSA-N 0 0 418.497 4.278 20 30 HIEDRN COc1ccccc1CCN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000517114598 924004799 /nfs/dbraw/zinc/00/47/99/924004799.db2.gz WUNMLKAVLFVRFF-UHFFFAOYSA-N 0 0 406.511 4.321 20 30 HIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1sc2cccc(F)c2c1COC ZINC000517192098 924044949 /nfs/dbraw/zinc/04/49/49/924044949.db2.gz DQOOXDDVRPPVRY-UHFFFAOYSA-N 0 0 403.475 4.491 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 ZINC000517260915 924067151 /nfs/dbraw/zinc/06/71/51/924067151.db2.gz NQFGYXBQKHPZEF-ZIAGYGMSSA-N 0 0 400.997 4.097 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1N1CCCCCC1 ZINC000517280071 924073490 /nfs/dbraw/zinc/07/34/90/924073490.db2.gz YJVCLOWWUQZHAI-UHFFFAOYSA-N 0 0 418.541 4.316 20 30 HIEDRN Cc1sc(NC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)c(C#N)c1C ZINC000517304185 924089852 /nfs/dbraw/zinc/08/98/52/924089852.db2.gz ZATDFXZAFOOREM-UHFFFAOYSA-N 0 0 407.948 4.442 20 30 HIEDRN N#C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CCO1 ZINC000517307026 924092515 /nfs/dbraw/zinc/09/25/15/924092515.db2.gz VEJVWUHDBRZYRX-NRFANRHFSA-N 0 0 401.422 4.031 20 30 HIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000517365485 924135068 /nfs/dbraw/zinc/13/50/68/924135068.db2.gz QEUSPYUJODJLCH-CWTRNNRKSA-N 0 0 423.271 4.372 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000517450663 924197846 /nfs/dbraw/zinc/19/78/46/924197846.db2.gz JFQHMKUQJDEKGJ-AWEZNQCLSA-N 0 0 418.478 4.033 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC000517456538 924202492 /nfs/dbraw/zinc/20/24/92/924202492.db2.gz UFAYITYDVGHPAW-HZPDHXFCSA-N 0 0 409.511 4.081 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000517455435 924202641 /nfs/dbraw/zinc/20/26/41/924202641.db2.gz ILPJRDMJZXBNSE-ZDUSSCGKSA-N 0 0 408.932 4.004 20 30 HIEDRN Cc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)nc2n1 ZINC000517462007 924206541 /nfs/dbraw/zinc/20/65/41/924206541.db2.gz YEAHPVPHYCPDCK-UHFFFAOYSA-N 0 0 420.420 4.018 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1 ZINC000517471240 924212637 /nfs/dbraw/zinc/21/26/37/924212637.db2.gz ZLEBHZAMFSPJPL-UHFFFAOYSA-N 0 0 418.497 4.312 20 30 HIEDRN Cc1ccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1C(=O)NC(C)C ZINC000517482660 924221908 /nfs/dbraw/zinc/22/19/08/924221908.db2.gz PDIBZUXSKUUOQA-UHFFFAOYSA-N 0 0 417.465 4.429 20 30 HIEDRN C[C@@H](c1cccnc1)N1C(=O)C[C@@H](Nc2ccc(Oc3ccccc3C#N)cc2)C1=O ZINC000517496823 924230783 /nfs/dbraw/zinc/23/07/83/924230783.db2.gz RWSWIASOCAOPJW-HRAATJIYSA-N 0 0 412.449 4.046 20 30 HIEDRN CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517509093 924238077 /nfs/dbraw/zinc/23/80/77/924238077.db2.gz YOWIJIIPAWTZRN-HNNXBMFYSA-N 0 0 411.571 4.459 20 30 HIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC000517591898 926701927 /nfs/dbraw/zinc/70/19/27/926701927.db2.gz MWDFIFJKXWFCLN-GFCCVEGCSA-N 0 0 421.368 4.308 20 30 HIEDRN CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000517604745 926713518 /nfs/dbraw/zinc/71/35/18/926713518.db2.gz NZOXTIOSCCJLBN-QFBILLFUSA-N 0 0 410.493 4.125 20 30 HIEDRN COc1cc(C#N)ccc1OCc1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000517628788 926737655 /nfs/dbraw/zinc/73/76/55/926737655.db2.gz RSXLAOWCERUSDX-UHFFFAOYSA-N 0 0 400.394 4.383 20 30 HIEDRN C=CCOc1ccc(-c2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)cc1OC ZINC000517631969 926740705 /nfs/dbraw/zinc/74/07/05/926740705.db2.gz ZYHOGWQYIDTBGK-UHFFFAOYSA-N 0 0 403.442 4.175 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCCN(c4nccs4)CC3)cc2)cc1 ZINC000517662172 926770315 /nfs/dbraw/zinc/77/03/15/926770315.db2.gz WNOVQFMFFXDGFI-UHFFFAOYSA-N 0 0 418.522 4.354 20 30 HIEDRN CC1CCN(c2ccc(CNC(=O)CCCCOc3cccc(C#N)c3)cn2)CC1 ZINC000517663644 926771135 /nfs/dbraw/zinc/77/11/35/926771135.db2.gz KGMRXBLNWZZFML-UHFFFAOYSA-N 0 0 406.530 4.055 20 30 HIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCC2(CCOCC2)C1 ZINC000517760674 926825208 /nfs/dbraw/zinc/82/52/08/926825208.db2.gz BPMKYLCMPWWYAH-UHFFFAOYSA-N 0 0 405.546 4.254 20 30 HIEDRN COC(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1Cl ZINC000517784537 926835142 /nfs/dbraw/zinc/83/51/42/926835142.db2.gz JKYFPNQWXXKPOM-UHFFFAOYSA-N 0 0 410.813 4.423 20 30 HIEDRN COc1cc(CNC(=O)NCc2cccc(COCc3ccccc3)c2)ccc1C#N ZINC000517791400 926838154 /nfs/dbraw/zinc/83/81/54/926838154.db2.gz MBXGQDICXALVAE-UHFFFAOYSA-N 0 0 415.493 4.283 20 30 HIEDRN Cc1cc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)ccc1F ZINC000517837036 926857645 /nfs/dbraw/zinc/85/76/45/926857645.db2.gz DPXYSBPBWMDKMB-UHFFFAOYSA-N 0 0 417.440 4.361 20 30 HIEDRN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)Cc1ccc(C#N)cc1 ZINC000517839362 926858759 /nfs/dbraw/zinc/85/87/59/926858759.db2.gz ZAVZLPRLRUWVHW-BLVKFPJESA-N 0 0 401.329 4.463 20 30 HIEDRN C[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000517857081 926865508 /nfs/dbraw/zinc/86/55/08/926865508.db2.gz PDFGEWHOICYXSY-HNNXBMFYSA-N 0 0 417.490 4.496 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)Cn3ccc(=O)c4ccccc43)c2)c1 ZINC000517886427 926875131 /nfs/dbraw/zinc/87/51/31/926875131.db2.gz CAXJGWMWUXZSDJ-UHFFFAOYSA-N 0 0 409.445 4.091 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccc1Cl ZINC000517942950 926897502 /nfs/dbraw/zinc/89/75/02/926897502.db2.gz HHVYDWOWJWOTSG-SFHVURJKSA-N 0 0 402.281 4.461 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1)c1ccccc1 ZINC000517992624 926934124 /nfs/dbraw/zinc/93/41/24/926934124.db2.gz WJDGGTKYIMYTHK-ISKFKSNPSA-N 0 0 413.521 4.419 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c1 ZINC000518061876 926999757 /nfs/dbraw/zinc/99/97/57/926999757.db2.gz MCZYQERGSIEPRG-UHFFFAOYSA-N 0 0 415.375 4.221 20 30 HIEDRN 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413.477 4.440 20 30 HIEDRN COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 ZINC000542995389 939893062 /nfs/dbraw/zinc/89/30/62/939893062.db2.gz WCINTNRCUHDMPX-QGZVFWFLSA-N 0 0 413.477 4.358 20 30 HIEDRN CCN1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543022115 939896884 /nfs/dbraw/zinc/89/68/84/939896884.db2.gz WIFVPZWRVBGGKJ-PZJWPPBQSA-N 0 0 413.443 4.224 20 30 HIEDRN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)no2)c1 ZINC000543029457 939898694 /nfs/dbraw/zinc/89/86/94/939898694.db2.gz HTFQGYIDGGOCQT-KRWDZBQOSA-N 0 0 411.465 4.258 20 30 HIEDRN N#Cc1cccc(S(=O)(=O)CCN2CCCCC[C@H]2/C=C/c2cccs2)c1 ZINC000543062317 939916322 /nfs/dbraw/zinc/91/63/22/939916322.db2.gz CJMRFCRZXSAMAD-VYENPZKTSA-N 0 0 400.569 4.351 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)c2nc(CC(=O)Nc3cccc4ccccc43)no2)cc1 ZINC000563750925 945283608 /nfs/dbraw/zinc/28/36/08/945283608.db2.gz OFFDQVZRVRWMTI-LJQANCHMSA-N 0 0 407.433 4.126 20 30 HIEDRN C=CC[C@H](CC)NC(=O)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000543108650 939948760 /nfs/dbraw/zinc/94/87/60/939948760.db2.gz WQMANDKKKBFVHG-PZJWPPBQSA-N 0 0 400.544 4.142 20 30 HIEDRN Cc1ccnc(N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c1C#N ZINC000543138371 939965925 /nfs/dbraw/zinc/96/59/25/939965925.db2.gz IYEYRJCKWUMLLX-HXUWFJFHSA-N 0 0 413.449 4.145 20 30 HIEDRN C=CCn1c(S[C@H](Cc2ccccc2)C(=O)NC)nnc1-c1ccc(Cl)cc1 ZINC000543143119 939968059 /nfs/dbraw/zinc/96/80/59/939968059.db2.gz IMIFTIPJDKTGIS-GOSISDBHSA-N 0 0 412.946 4.234 20 30 HIEDRN N#Cc1cc2c(nc1S[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)CCCC2 ZINC000543144277 939968814 /nfs/dbraw/zinc/96/88/14/939968814.db2.gz IDKOBGZKKNISHN-QGZVFWFLSA-N 0 0 405.445 4.040 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)s2)c(F)c1 ZINC000543179404 939987876 /nfs/dbraw/zinc/98/78/76/939987876.db2.gz NSUYQPNOXARVTM-GFCCVEGCSA-N 0 0 415.309 4.047 20 30 HIEDRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1ccc(CC#N)cc1 ZINC000543186001 939989558 /nfs/dbraw/zinc/98/95/58/939989558.db2.gz QTMSRMZAAVHLIV-DEOSSOPVSA-N 0 0 400.526 4.188 20 30 HIEDRN Cc1cccc([C@H]2CCN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)c1 ZINC000543264065 940012144 /nfs/dbraw/zinc/01/21/44/940012144.db2.gz PNOYAVYJCBJMKK-HKUYNNGSSA-N 0 0 407.539 4.201 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000543264615 940012828 /nfs/dbraw/zinc/01/28/28/940012828.db2.gz RVWGYUNGLOEOJD-IBGZPJMESA-N 0 0 422.598 4.414 20 30 HIEDRN C[C@H](CN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1nccs1 ZINC000543313265 940025979 /nfs/dbraw/zinc/02/59/79/940025979.db2.gz CEQAAVVDTMHXKS-GFCCVEGCSA-N 0 0 400.895 4.121 20 30 HIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000543317714 940027544 /nfs/dbraw/zinc/02/75/44/940027544.db2.gz VFXCBXQSWFBVCX-UHFFFAOYSA-N 0 0 400.463 4.221 20 30 HIEDRN CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C#N)ccc2OCCOC)cc1 ZINC000543349002 940037993 /nfs/dbraw/zinc/03/79/93/940037993.db2.gz HFJVUIIUPORMKI-NRFANRHFSA-N 0 0 409.486 4.351 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000543382581 940047373 /nfs/dbraw/zinc/04/73/73/940047373.db2.gz QWOPXOCBJTUHFD-UHFFFAOYSA-N 0 0 424.482 4.044 20 30 HIEDRN CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc21 ZINC000543439693 940064083 /nfs/dbraw/zinc/06/40/83/940064083.db2.gz GRONHEXTXFLKGJ-AWEZNQCLSA-N 0 0 402.281 4.087 20 30 HIEDRN CCc1ccc([C@@H](COC)NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 ZINC000543487175 940080464 /nfs/dbraw/zinc/08/04/64/940080464.db2.gz XHSUOXRODKNCAU-HXUWFJFHSA-N 0 0 412.534 4.163 20 30 HIEDRN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1nc(C)cs1 ZINC000543488468 940081167 /nfs/dbraw/zinc/08/11/67/940081167.db2.gz OZCPASJADXMLPO-HXUWFJFHSA-N 0 0 421.570 4.469 20 30 HIEDRN Cc1csc([C@H](C)NCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)n1 ZINC000543510672 940089850 /nfs/dbraw/zinc/08/98/50/940089850.db2.gz ICCOBJGUYQYZEB-INIZCTEOSA-N 0 0 419.554 4.282 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3)no2)cc1 ZINC000543524683 940095893 /nfs/dbraw/zinc/09/58/93/940095893.db2.gz NNRATRWTTQSYNW-UHFFFAOYSA-N 0 0 408.483 4.174 20 30 HIEDRN C[C@H](NCc1cc(C#N)ccc1F)c1nc(-c2ccc(Br)cc2)no1 ZINC000543540584 940099183 /nfs/dbraw/zinc/09/91/83/940099183.db2.gz BFQDKVUFAPSCMA-NSHDSACASA-N 0 0 401.239 4.361 20 30 HIEDRN CC(C)(O)C(C)(C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543610492 940129979 /nfs/dbraw/zinc/12/99/79/940129979.db2.gz YDWRLFRACZNOGX-UHFFFAOYSA-N 0 0 401.894 4.462 20 30 HIEDRN N#Cc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)ccc1Cl ZINC000543615417 940132944 /nfs/dbraw/zinc/13/29/44/940132944.db2.gz BXZVYWZTFGCBON-QGZVFWFLSA-N 0 0 405.679 4.188 20 30 HIEDRN C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccc(OC(F)F)cc1 ZINC000543765839 940178965 /nfs/dbraw/zinc/17/89/65/940178965.db2.gz PVIVXEXORCCRGE-LBPRGKRZSA-N 0 0 415.375 4.367 20 30 HIEDRN CCOc1ccc([C@@H](C)NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1OC ZINC000543768011 940180400 /nfs/dbraw/zinc/18/04/00/940180400.db2.gz ZRPSKRXCZKKXCS-CQSZACIVSA-N 0 0 423.448 4.173 20 30 HIEDRN N#CC1(CCC[S@@](=O)Cc2ccc(Br)cc2Cl)CCOCC1 ZINC000543787258 940186918 /nfs/dbraw/zinc/18/69/18/940186918.db2.gz KBRRBOSTJXBMNN-JOCHJYFZSA-N 0 0 404.757 4.452 20 30 HIEDRN N#CC1(CCCS(=O)(=O)Cc2ccc(Br)cc2Cl)CCOCC1 ZINC000543787957 940187209 /nfs/dbraw/zinc/18/72/09/940187209.db2.gz NABYSQMCHSDDNJ-UHFFFAOYSA-N 0 0 420.756 4.118 20 30 HIEDRN N#C[C@@H](C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000543805446 940191871 /nfs/dbraw/zinc/19/18/71/940191871.db2.gz NBNHLHPPFJLEKQ-SNVBAGLBSA-N 0 0 401.247 4.100 20 30 HIEDRN C=CCOc1cccc(NC(=O)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000543830171 940201506 /nfs/dbraw/zinc/20/15/06/940201506.db2.gz VNMALWMZLUCRDI-SFHVURJKSA-N 0 0 405.292 4.259 20 30 HIEDRN COc1cc(NC(=O)N2CCC(CC#N)CC2)c(OC)cc1NC(=O)c1ccccc1 ZINC000543829597 940201723 /nfs/dbraw/zinc/20/17/23/940201723.db2.gz WVJCIVMJTBCNNN-UHFFFAOYSA-N 0 0 422.485 4.114 20 30 HIEDRN C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccc(Br)s1 ZINC000543855971 940211262 /nfs/dbraw/zinc/21/12/62/940211262.db2.gz BACQCZHTZJJSSH-JTQLQIEISA-N 0 0 419.279 4.449 20 30 HIEDRN C[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543858297 940212620 /nfs/dbraw/zinc/21/26/20/940212620.db2.gz WTVMRRCVJZTPPQ-GOSISDBHSA-N 0 0 424.504 4.146 20 30 HIEDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543859601 940213063 /nfs/dbraw/zinc/21/30/63/940213063.db2.gz NASKOBLHBKADOQ-JPYJTQIMSA-N 0 0 403.526 4.440 20 30 HIEDRN COCCOc1ncccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543859121 940213132 /nfs/dbraw/zinc/21/31/32/940213132.db2.gz KHBWDMDKAQRUGK-KRWDZBQOSA-N 0 0 401.466 4.136 20 30 HIEDRN N#Cc1ccc(-n2ccc(N[C@@H]3CCN(c4ccccc4Cl)C3=O)n2)c(Cl)c1 ZINC000543862148 940214600 /nfs/dbraw/zinc/21/46/00/940214600.db2.gz RXCSUBOHDITXHC-MRXNPFEDSA-N 0 0 412.280 4.268 20 30 HIEDRN N#Cc1cc(Cl)ccc1-n1ccc(NCc2cn(-c3ccc(Cl)cc3)nn2)n1 ZINC000543862694 940214759 /nfs/dbraw/zinc/21/47/59/940214759.db2.gz JIEMXHXYTWKGJC-UHFFFAOYSA-N 0 0 410.268 4.244 20 30 HIEDRN Cc1cccc(Cl)c1NC(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543868021 940217063 /nfs/dbraw/zinc/21/70/63/940217063.db2.gz DPKDONJHAVKKJE-UHFFFAOYSA-N 0 0 400.269 4.410 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)n2)c(Cl)c1 ZINC000543885762 940226140 /nfs/dbraw/zinc/22/61/40/940226140.db2.gz SEJNNINWXMENJM-QGZVFWFLSA-N 0 0 420.904 4.188 20 30 HIEDRN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000543888367 940227062 /nfs/dbraw/zinc/22/70/62/940227062.db2.gz KWAPTORGDKMVPP-KNQAVFIVSA-N 0 0 419.460 4.233 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2)c(F)c1 ZINC000543888611 940227157 /nfs/dbraw/zinc/22/71/57/940227157.db2.gz UWJZGTVCLOCLAP-AZUAARDMSA-N 0 0 414.444 4.187 20 30 HIEDRN CC(C)Cn1ncc(NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1C(F)F ZINC000543889728 940227877 /nfs/dbraw/zinc/22/78/77/940227877.db2.gz RZKFBBFNVKAVHO-UHFFFAOYSA-N 0 0 417.395 4.317 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccn(-c4c(F)cccc4F)n3)n2)c(Cl)c1 ZINC000543896570 940231157 /nfs/dbraw/zinc/23/11/57/940231157.db2.gz SNQIAZOFRSAIOO-UHFFFAOYSA-N 0 0 424.798 4.114 20 30 HIEDRN Cn1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(-c2cccs2)n1 ZINC000543898302 940231931 /nfs/dbraw/zinc/23/19/31/940231931.db2.gz VMAIOYBTHSCKTM-UHFFFAOYSA-N 0 0 408.874 4.112 20 30 HIEDRN CC(=O)c1cccc(OCCCC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000543898886 940232304 /nfs/dbraw/zinc/23/23/04/940232304.db2.gz XQRFLJKODXQPGT-UHFFFAOYSA-N 0 0 422.872 4.398 20 30 HIEDRN COc1ccc2c(CC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)coc2c1 ZINC000543898912 940232312 /nfs/dbraw/zinc/23/23/12/940232312.db2.gz YRFOXXGHTATIPA-UHFFFAOYSA-N 0 0 406.829 4.333 20 30 HIEDRN Cc1nc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc2o1 ZINC000543923586 940247824 /nfs/dbraw/zinc/24/78/24/940247824.db2.gz UWHGSNNCLSRKHF-OAHLLOKOSA-N 0 0 424.460 4.491 20 30 HIEDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543928464 940250337 /nfs/dbraw/zinc/25/03/37/940250337.db2.gz SWEISHJHBVOYKK-ZDUSSCGKSA-N 0 0 410.836 4.384 20 30 HIEDRN COc1ccc(C(=O)CCC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC000543929839 940250844 /nfs/dbraw/zinc/25/08/44/940250844.db2.gz ZUQJHBWGBKDEBJ-UHFFFAOYSA-N 0 0 408.845 4.008 20 30 HIEDRN COc1ccccc1[C@H](CO)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543942474 940257270 /nfs/dbraw/zinc/25/72/70/940257270.db2.gz NOMDAOBQABFXNW-HXOBKFHXSA-N 0 0 415.493 4.328 20 30 HIEDRN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000543943229 940257904 /nfs/dbraw/zinc/25/79/04/940257904.db2.gz FLACEMDMXSMAOF-FDDCHVKYSA-N 0 0 418.541 4.234 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543962769 940272483 /nfs/dbraw/zinc/27/24/83/940272483.db2.gz IYGDEPAEEUOJTJ-UHFFFAOYSA-N 0 0 420.431 4.435 20 30 HIEDRN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC=C(c2cccc(OC)c2)CC1 ZINC000563843393 945312329 /nfs/dbraw/zinc/31/23/29/945312329.db2.gz XZOVUXYKGKGRIP-QHCPKHFHSA-N 0 0 414.509 4.443 20 30 HIEDRN CC(=O)c1cccc(OC[C@@H](O)CSc2nc(-c3ccccc3)ccc2C#N)c1 ZINC000544022912 940302385 /nfs/dbraw/zinc/30/23/85/940302385.db2.gz HIWKXCYCADXMIP-HXUWFJFHSA-N 0 0 404.491 4.355 20 30 HIEDRN COC(=O)c1cccc(-c2nc(C[S@](=O)Cc3ccc(CC#N)cc3)cs2)c1 ZINC000544044284 940309000 /nfs/dbraw/zinc/30/90/00/940309000.db2.gz BXQABMFLGCACEB-MUUNZHRXSA-N 0 0 410.520 4.112 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CNc1ccc(C)c(-c2nnnn2C2CC2)c1 ZINC000544084928 940322018 /nfs/dbraw/zinc/32/20/18/940322018.db2.gz KFWUDRUSCAOYPW-UHFFFAOYSA-N 0 0 420.542 4.312 20 30 HIEDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000544094307 940324767 /nfs/dbraw/zinc/32/47/67/940324767.db2.gz WONWSVWATLFSJA-UHFFFAOYSA-N 0 0 414.874 4.248 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Br)c1F ZINC000544112298 940329380 /nfs/dbraw/zinc/32/93/80/940329380.db2.gz YLMZFTCVXOFTBT-UHFFFAOYSA-N 0 0 411.296 4.059 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000544152375 940338671 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20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000550990204 941391324 /nfs/dbraw/zinc/39/13/24/941391324.db2.gz DEUPAONENLFUJN-GUDVDZBRSA-N 0 0 411.299 4.223 20 30 HIEDRN CC(C)CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000550997660 941392406 /nfs/dbraw/zinc/39/24/06/941392406.db2.gz CLNYHKAXXQVJHV-NRFANRHFSA-N 0 0 411.933 4.464 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1)c1ccccc1 ZINC000551108135 941411776 /nfs/dbraw/zinc/41/17/76/941411776.db2.gz CYYYPHPFLBXRRJ-KXBFYZLASA-N 0 0 402.441 4.289 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551112923 941412082 /nfs/dbraw/zinc/41/20/82/941412082.db2.gz OPOXHUGIGNLFFF-HNNXBMFYSA-N 0 0 407.417 4.331 20 30 HIEDRN CCOc1ccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(C(F)(F)F)c1 ZINC000551200115 941426538 /nfs/dbraw/zinc/42/65/38/941426538.db2.gz KPJVAIOUHPVKLL-UHFFFAOYSA-N 0 0 422.407 4.127 20 30 HIEDRN N#Cc1cc(F)ccc1S(=O)(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000551220176 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N#Cc1ccc(C(=O)CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 ZINC000552634782 941727173 /nfs/dbraw/zinc/72/71/73/941727173.db2.gz NLDIGYMTZAIDFX-UHFFFAOYSA-N 0 0 423.881 4.138 20 30 HIEDRN CC(C)(C)c1ccccc1OCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000552673649 941734367 /nfs/dbraw/zinc/73/43/67/941734367.db2.gz FWJPTFGZIYYJKA-UHFFFAOYSA-N 0 0 410.489 4.444 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)c(F)c1 ZINC000552686358 941737561 /nfs/dbraw/zinc/73/75/61/941737561.db2.gz JVZKJLOYOUBPQF-UHFFFAOYSA-N 0 0 411.864 4.445 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)c(F)c1 ZINC000552687819 941738051 /nfs/dbraw/zinc/73/80/51/941738051.db2.gz UIGDZHYEKFTDSE-UHFFFAOYSA-N 0 0 423.271 4.453 20 30 HIEDRN C=CCC[C@@H](C(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1)c1ccccc1 ZINC000552706721 941741471 /nfs/dbraw/zinc/74/14/71/941741471.db2.gz POIRIJZJEIOTMJ-OAQYLSRUSA-N 0 0 409.530 4.282 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)[C@H](c2ccc(Cl)cc2Cl)N(C2CC2)C1=O ZINC000552789977 941763655 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C=CCOc1ccc(/C=C\c2nc(CC(=O)Nc3ccc(F)cc3)no2)cc1OC ZINC000554111327 942038713 /nfs/dbraw/zinc/03/87/13/942038713.db2.gz SWBGVXJYEBXRLQ-WZUFQYTHSA-N 0 0 409.417 4.134 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000554163526 942053635 /nfs/dbraw/zinc/05/36/35/942053635.db2.gz RBJFACNRZPPUGI-GOSISDBHSA-N 0 0 417.303 4.337 20 30 HIEDRN Cn1ccnc1[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CC1 ZINC000554172618 942056333 /nfs/dbraw/zinc/05/63/33/942056333.db2.gz QDBLOOLDAWVDJF-JOCHJYFZSA-N 0 0 415.497 4.338 20 30 HIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2)cc1 ZINC000554212877 942070026 /nfs/dbraw/zinc/07/00/26/942070026.db2.gz WSELIVAMVOSFBS-BEFAXECRSA-N 0 0 419.403 4.375 20 30 HIEDRN C=CCOc1ccc(CNC(=O)N(CC)CC2CCN(c3ccccn3)CC2)cc1 ZINC000554254427 942080458 /nfs/dbraw/zinc/08/04/58/942080458.db2.gz SGXZYCXLFQJHCS-UHFFFAOYSA-N 0 0 408.546 4.095 20 30 HIEDRN N#CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000554276110 942087777 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ZINC000554492029 942159255 /nfs/dbraw/zinc/15/92/55/942159255.db2.gz LQMWJWKLMQATBH-UHFFFAOYSA-N 0 0 420.444 4.329 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000554542530 942165872 /nfs/dbraw/zinc/16/58/72/942165872.db2.gz GZOLOCGDJRVSGQ-UHFFFAOYSA-N 0 0 404.695 4.195 20 30 HIEDRN N#CC1(c2ccccn2)CCN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000554542093 942165912 /nfs/dbraw/zinc/16/59/12/942165912.db2.gz GNVGYNXUSWOZGC-UHFFFAOYSA-N 0 0 422.532 4.342 20 30 HIEDRN Cc1ccc(C[C@@H]2CCCN(c3nnc(COc4ccc(C#N)cc4)n3C)C2)cc1 ZINC000554582140 942171285 /nfs/dbraw/zinc/17/12/85/942171285.db2.gz UOQVDPNUKOYBOA-NRFANRHFSA-N 0 0 401.514 4.033 20 30 HIEDRN O=C(CCOCC(F)(F)C(F)(F)F)N1CCC(c2cccc(F)c2F)CC1 ZINC000554598589 942174301 /nfs/dbraw/zinc/17/43/01/942174301.db2.gz FIXFCOSQYUOVNT-UHFFFAOYSA-N 0 0 401.322 4.275 20 30 HIEDRN C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000554599390 942174554 /nfs/dbraw/zinc/17/45/54/942174554.db2.gz GMJNNFIRMMQBLA-LJQANCHMSA-N 0 0 411.509 4.472 20 30 HIEDRN C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000554609676 942176045 /nfs/dbraw/zinc/17/60/45/942176045.db2.gz MPAFCEWRCIWFQC-QGZVFWFLSA-N 0 0 424.467 4.208 20 30 HIEDRN C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000554716229 942209303 /nfs/dbraw/zinc/20/93/03/942209303.db2.gz JPFBIRURSXDLGF-NSHDSACASA-N 0 0 406.410 4.149 20 30 HIEDRN N#CCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2CC#N)s1 ZINC000554750977 942221325 /nfs/dbraw/zinc/22/13/25/942221325.db2.gz QOPRJHPEYNEPCO-UHFFFAOYSA-N 0 0 400.463 4.385 20 30 HIEDRN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccccc2CC#N)nn1-c1ccccc1 ZINC000554750226 942221346 /nfs/dbraw/zinc/22/13/46/942221346.db2.gz GYPHRSVUNJFYCV-UHFFFAOYSA-N 0 0 402.454 4.146 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC(F)(F)C2)cc1Cl ZINC000554753643 942223630 /nfs/dbraw/zinc/22/36/30/942223630.db2.gz QEYYILPJCMGDKV-KRWDZBQOSA-N 0 0 405.832 4.495 20 30 HIEDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000554762553 942226671 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C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC000555266096 942454245 /nfs/dbraw/zinc/45/42/45/942454245.db2.gz SUYQFQOBYHRZLK-IBGZPJMESA-N 0 0 418.541 4.449 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000555265836 942454268 /nfs/dbraw/zinc/45/42/68/942454268.db2.gz PVIIWMXQDQZTSL-JTSKRJEESA-N 0 0 417.488 4.498 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)nnc1C(C)(C)C ZINC000555266575 942455347 /nfs/dbraw/zinc/45/53/47/942455347.db2.gz AZDJPPQRKLXXCY-GOSISDBHSA-N 0 0 421.545 4.297 20 30 HIEDRN C=C(C)Cn1c(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)nnc1C(C)(C)C ZINC000555266576 942455457 /nfs/dbraw/zinc/45/54/57/942455457.db2.gz AZDJPPQRKLXXCY-SFHVURJKSA-N 0 0 421.545 4.297 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC000555273434 942458514 /nfs/dbraw/zinc/45/85/14/942458514.db2.gz YWZBBTDPSDFQRV-UHFFFAOYSA-N 0 0 415.541 4.169 20 30 HIEDRN Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)C(=O)N(C)CCC#N 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420.896 4.297 20 30 HIEDRN N#Cc1cccc(CNC(=O)COc2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000561693970 944750379 /nfs/dbraw/zinc/75/03/79/944750379.db2.gz CLUCOCCGUORRQX-UHFFFAOYSA-N 0 0 413.193 4.035 20 30 HIEDRN O=C(N[C@H]1C[C@@H]1C(F)F)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000561693543 944750516 /nfs/dbraw/zinc/75/05/16/944750516.db2.gz LBDYOIWGOWZJIG-ONGXEEELSA-N 0 0 413.268 4.293 20 30 HIEDRN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CCC ZINC000561708826 944756426 /nfs/dbraw/zinc/75/64/26/944756426.db2.gz IAMLSJXDQSAQNU-AWEZNQCLSA-N 0 0 407.967 4.365 20 30 HIEDRN CC(C)(CCC#N)CNC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000561731949 944768376 /nfs/dbraw/zinc/76/83/76/944768376.db2.gz ZRSLYMRDAGRELO-FQEVSTJZSA-N 0 0 408.502 4.025 20 30 HIEDRN CC(C)(C)c1cc(NC(=O)NC[C@@H]2COc3ccccc32)n(-c2ccc(C#N)cc2)n1 ZINC000561814822 944808362 /nfs/dbraw/zinc/80/83/62/944808362.db2.gz YVQNUIIZBUJFGC-QGZVFWFLSA-N 0 0 415.497 4.339 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000561812847 944808425 /nfs/dbraw/zinc/80/84/25/944808425.db2.gz FKGTWEBLGYCRNQ-HNNXBMFYSA-N 0 0 414.444 4.622 20 30 HIEDRN Cc1c(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000561816640 944809432 /nfs/dbraw/zinc/80/94/32/944809432.db2.gz OGLLWKGAJBWGAI-UHFFFAOYSA-N 0 0 420.904 4.318 20 30 HIEDRN CSC[C@@](C)(C#N)NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000561843171 944819091 /nfs/dbraw/zinc/81/90/91/944819091.db2.gz ULAUFTIKLOHOAC-JOCHJYFZSA-N 0 0 407.543 4.363 20 30 HIEDRN CSC[C@](C)(C#N)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000561843256 944819199 /nfs/dbraw/zinc/81/91/99/944819199.db2.gz VHMVAEJCRDRUQR-NRFANRHFSA-N 0 0 410.474 4.281 20 30 HIEDRN COc1c(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)cnc2ccccc21 ZINC000561889877 944839752 /nfs/dbraw/zinc/83/97/52/944839752.db2.gz XMKCNZZCMYGHRW-HNNXBMFYSA-N 0 0 415.428 4.298 20 30 HIEDRN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1Cl ZINC000561902634 944847347 /nfs/dbraw/zinc/84/73/47/944847347.db2.gz 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CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000437065294 862262279 /nfs/dbraw/zinc/26/22/79/862262279.db2.gz LUIBCVSISJNMBK-UHFFFAOYSA-N 0 0 413.905 4.375 20 30 HIEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1 ZINC000063204500 851632445 /nfs/dbraw/zinc/63/24/45/851632445.db2.gz HUJMZCYEJJVZOR-UHFFFAOYSA-N 0 0 405.841 4.259 20 30 HIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(NC(=O)CCC)c1C ZINC000063208561 851633561 /nfs/dbraw/zinc/63/35/61/851633561.db2.gz QGKIGZANHCIXLW-UHFFFAOYSA-N 0 0 411.477 4.026 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000063251366 851640210 /nfs/dbraw/zinc/64/02/10/851640210.db2.gz RKTFTCPTJRVTRP-UHFFFAOYSA-N 0 0 413.506 4.246 20 30 HIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1nccn1-c1ccc(OC)cc1 ZINC000063251451 851640242 /nfs/dbraw/zinc/64/02/42/851640242.db2.gz NBTXDCPFUXQRFP-UHFFFAOYSA-N 0 0 418.522 4.059 20 30 HIEDRN C=CCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000063300628 851654763 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Cn1ncc2c1C[C@@H](C(=O)Nc1ccc(Oc3ccc(C#N)cc3)c(Cl)c1)CC2 ZINC000409491959 855507142 /nfs/dbraw/zinc/50/71/42/855507142.db2.gz ONGQUCMVBFNCBT-HNNXBMFYSA-N 0 0 406.873 4.481 20 30 HIEDRN Cc1cccc2c1N(C1CC1)CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409502260 855511349 /nfs/dbraw/zinc/51/13/49/855511349.db2.gz ORCRADNCDRRFQB-UHFFFAOYSA-N 0 0 421.444 4.063 20 30 HIEDRN CCCN(CCc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409505607 855513462 /nfs/dbraw/zinc/51/34/62/855513462.db2.gz YMDZFOHYDZAPKL-UHFFFAOYSA-N 0 0 402.463 4.282 20 30 HIEDRN COc1ccc(N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1Cl ZINC000409510729 855515958 /nfs/dbraw/zinc/51/59/58/855515958.db2.gz TXQJMHLJGCCGLO-UHFFFAOYSA-N 0 0 404.797 4.064 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000409513960 855518245 /nfs/dbraw/zinc/51/82/45/855518245.db2.gz PGFAJOFHLPQXMW-QGZVFWFLSA-N 0 0 419.294 4.290 20 30 HIEDRN CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409515063 855518364 /nfs/dbraw/zinc/51/83/64/855518364.db2.gz RZOODBOXCAWDCL-UHFFFAOYSA-N 0 0 402.825 4.094 20 30 HIEDRN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000409530664 855525761 /nfs/dbraw/zinc/52/57/61/855525761.db2.gz RAKKYVJVDMLFBB-SFHVURJKSA-N 0 0 410.417 4.111 20 30 HIEDRN N#Cc1nc(N[C@H]2COc3cc(F)c(Br)cc32)ccc1C(F)(F)F ZINC000409532690 855527993 /nfs/dbraw/zinc/52/79/93/855527993.db2.gz FHFVOWUTHYGUQA-LBPRGKRZSA-N 0 0 402.145 4.419 20 30 HIEDRN CC[C@H](C(=O)N1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1)c1ccccc1 ZINC000409558828 855540781 /nfs/dbraw/zinc/54/07/81/855540781.db2.gz ZOYJGAYKYBTGLU-QFIPXVFZSA-N 0 0 404.514 4.059 20 30 HIEDRN CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409563457 855542442 /nfs/dbraw/zinc/54/24/42/855542442.db2.gz RFZVBLUEGRNLKB-GFCCVEGCSA-N 0 0 400.397 4.488 20 30 HIEDRN CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409563459 855542529 /nfs/dbraw/zinc/54/25/29/855542529.db2.gz RFZVBLUEGRNLKB-LBPRGKRZSA-N 0 0 400.397 4.488 20 30 HIEDRN CC[C@@H](C(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000409564373 855543524 /nfs/dbraw/zinc/54/35/24/855543524.db2.gz YWUQMRWIVUPKTK-WZONZLPQSA-N 0 0 418.541 4.103 20 30 HIEDRN CCN(CCC#N)S(=O)(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000409569406 855544907 /nfs/dbraw/zinc/54/49/07/855544907.db2.gz DYIUJMKYPCCAHM-UHFFFAOYSA-N 0 0 409.552 4.245 20 30 HIEDRN CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409573086 855547022 /nfs/dbraw/zinc/54/70/22/855547022.db2.gz WHAUGRSZPLQHKH-OAHLLOKOSA-N 0 0 409.552 4.101 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(Br)cc3Cl)n2)c1 ZINC000409575266 855547711 /nfs/dbraw/zinc/54/77/11/855547711.db2.gz IMWZKDOTJMTBQC-UHFFFAOYSA-N 0 0 415.678 4.090 20 30 HIEDRN COC[C@@H](NC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(F)cc1 ZINC000437382212 862692725 /nfs/dbraw/zinc/69/27/25/862692725.db2.gz DAOYBBHQFJFWHZ-HSZRJFAPSA-N 0 0 404.441 4.394 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(OCc4cscn4)c3)n2)c1 ZINC000409624778 855570545 /nfs/dbraw/zinc/57/05/45/855570545.db2.gz MNURSVFYRDCETB-UHFFFAOYSA-N 0 0 401.451 4.032 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000437382652 862695391 /nfs/dbraw/zinc/69/53/91/862695391.db2.gz FGMLKHIGWFDQBU-AWEZNQCLSA-N 0 0 401.919 4.438 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)C[C@@H]3CCCCC(=O)N3)cc2Cl)c1 ZINC000409651396 855584300 /nfs/dbraw/zinc/58/43/00/855584300.db2.gz XHBUCPGKXNDFKA-KRWDZBQOSA-N 0 0 411.889 4.178 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000409668188 855593039 /nfs/dbraw/zinc/59/30/39/855593039.db2.gz IOHSHJUIDJYECW-FQEVSTJZSA-N 0 0 410.521 4.265 20 30 HIEDRN CCn1c(CNc2ccc(C(F)(F)F)c(C#N)n2)nc2cc(Br)ccc21 ZINC000409674965 855596411 /nfs/dbraw/zinc/59/64/11/855596411.db2.gz GYKWIMJNADWCKP-UHFFFAOYSA-N 0 0 424.224 4.716 20 30 HIEDRN Cc1ccc(C[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c2ccccn2)cc1 ZINC000409695293 855605744 /nfs/dbraw/zinc/60/57/44/855605744.db2.gz HTMOPHKHHPUQOO-DEOSSOPVSA-N 0 0 407.477 4.161 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)n2)c1 ZINC000409721336 855620281 /nfs/dbraw/zinc/62/02/81/855620281.db2.gz PNEJWVCJBDABMU-UHFFFAOYSA-N 0 0 404.901 4.492 20 30 HIEDRN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000409724007 855621369 /nfs/dbraw/zinc/62/13/69/855621369.db2.gz NHHVWYBKGCCTFV-FOIQADDNSA-N 0 0 421.566 4.437 20 30 HIEDRN Cc1sc(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)nc1-c1ccccc1 ZINC000409753170 855636703 /nfs/dbraw/zinc/63/67/03/855636703.db2.gz PLVGTICIQZGILH-UHFFFAOYSA-N 0 0 413.506 4.148 20 30 HIEDRN CC(C)Oc1ccc(-c2cccc([C@@H](C)N(C)C(=O)[C@@H](C)n3cnc(C#N)n3)c2)cc1 ZINC000409818973 855670964 /nfs/dbraw/zinc/67/09/64/855670964.db2.gz YNODHKLQZDLRML-QZTJIDSGSA-N 0 0 417.513 4.385 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)cc1 ZINC000409819958 855671696 /nfs/dbraw/zinc/67/16/96/855671696.db2.gz NLSFVBOLSVHWAX-PAXLWEDBSA-N 0 0 420.509 4.067 20 30 HIEDRN N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000409910493 855719586 /nfs/dbraw/zinc/71/95/86/855719586.db2.gz LYHXCVPZZVUUMK-SJORKVTESA-N 0 0 418.299 4.456 20 30 HIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC(Cc4ccc(F)c(F)c4)CC3)n2)c1 ZINC000409939799 855735053 /nfs/dbraw/zinc/73/50/53/855735053.db2.gz WKQXDZVCLHLIBJ-UHFFFAOYSA-N 0 0 406.436 4.117 20 30 HIEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1nnn(CCOc2ccc(F)cc2)c1C ZINC000409955068 855743823 /nfs/dbraw/zinc/74/38/23/855743823.db2.gz AUFLRKSTISBBTR-UHFFFAOYSA-N 0 0 408.477 4.023 20 30 HIEDRN C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000409985865 855763132 /nfs/dbraw/zinc/76/31/32/855763132.db2.gz ZUAGJKPKJQYGOF-VXGBXAGGSA-N 0 0 419.432 4.335 20 30 HIEDRN CCCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1ccccc1C ZINC000409984756 855763269 /nfs/dbraw/zinc/76/32/69/855763269.db2.gz TYDVLXQIMPDCRY-UHFFFAOYSA-N 0 0 410.481 4.443 20 30 HIEDRN CCCc1noc2nc(CC)cc(C(=O)Nc3nc4cc(C#N)ccc4n3CC)c12 ZINC000410000661 855772470 /nfs/dbraw/zinc/77/24/70/855772470.db2.gz UTNMOLAVTLXXFQ-UHFFFAOYSA-N 0 0 402.458 4.231 20 30 HIEDRN Cc1ccc(C#N)cc1NC(=O)C1(c2ccc(I)cc2)CC1 ZINC000410019684 855782344 /nfs/dbraw/zinc/78/23/44/855782344.db2.gz MDXPRKFMTDXUFR-UHFFFAOYSA-N 0 0 402.235 4.142 20 30 HIEDRN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000410025653 855785330 /nfs/dbraw/zinc/78/53/30/855785330.db2.gz ADLXJTNJKMSLFT-IBGZPJMESA-N 0 0 410.474 4.182 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)NCCc3cccc4[nH]ccc43)s2)cc1 ZINC000410029796 855786343 /nfs/dbraw/zinc/78/63/43/855786343.db2.gz VQPFJPAZPMRISP-UHFFFAOYSA-N 0 0 401.495 4.451 20 30 HIEDRN C=CC[C@H](CO)NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC000410076123 855809836 /nfs/dbraw/zinc/80/98/36/855809836.db2.gz XDJDKWBWVFZPKZ-MOSCZQEPSA-N 0 0 413.402 4.162 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)ccc1C(F)(F)F ZINC000410106367 855822860 /nfs/dbraw/zinc/82/28/60/855822860.db2.gz PWCZDGSFQGFURR-UHFFFAOYSA-N 0 0 423.441 4.429 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000437392747 862724537 /nfs/dbraw/zinc/72/45/37/862724537.db2.gz OSCBJGPUQDGYAH-LLVKDONJSA-N 0 0 422.963 4.203 20 30 HIEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000410137302 855835246 /nfs/dbraw/zinc/83/52/46/855835246.db2.gz MPUMZMIOLYOCOD-ZWKOTPCHSA-N 0 0 415.559 4.081 20 30 HIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2cncnc2)cn1 ZINC000410159570 855843945 /nfs/dbraw/zinc/84/39/45/855843945.db2.gz VEQIBFMNRDABBQ-UHFFFAOYSA-N 0 0 400.360 4.375 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)o1 ZINC000410167036 855847561 /nfs/dbraw/zinc/84/75/61/855847561.db2.gz LWCURHAYGDJGAQ-UHFFFAOYSA-N 0 0 410.336 4.444 20 30 HIEDRN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)C1=O ZINC000410177810 855852002 /nfs/dbraw/zinc/85/20/02/855852002.db2.gz IEHZDVBJMOATEI-OAHLLOKOSA-N 0 0 424.444 4.173 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1Oc1ccccc1)c1ccc(C#N)cc1 ZINC000410323668 855928592 /nfs/dbraw/zinc/92/85/92/855928592.db2.gz DQIFONUPRWSIMP-OAHLLOKOSA-N 0 0 403.413 4.306 20 30 HIEDRN C=CCCc1ccccc1NC(=O)CSc1nnc(C)n1-c1cccc(OC)c1 ZINC000410354714 855945989 /nfs/dbraw/zinc/94/59/89/855945989.db2.gz QWUWECOWECWGJR-UHFFFAOYSA-N 0 0 408.527 4.434 20 30 HIEDRN C=CCCc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000410359394 855948779 /nfs/dbraw/zinc/94/87/79/855948779.db2.gz LXVPVFVFNVRFNI-NSHGMRRFSA-N 0 0 414.571 4.041 20 30 HIEDRN N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410373451 855958489 /nfs/dbraw/zinc/95/84/89/855958489.db2.gz QRBXUIBHGCZUKD-UHFFFAOYSA-N 0 0 417.687 4.351 20 30 HIEDRN CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000410386875 855966970 /nfs/dbraw/zinc/96/69/70/855966970.db2.gz MIJSDVGEKHMTES-ZDUSSCGKSA-N 0 0 414.371 4.176 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000410392547 855969712 /nfs/dbraw/zinc/96/97/12/855969712.db2.gz PLPAQDWLQPNRFS-GFCCVEGCSA-N 0 0 410.886 4.151 20 30 HIEDRN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl ZINC000410399101 855973504 /nfs/dbraw/zinc/97/35/04/855973504.db2.gz CSNDZOZOESFWCD-UHFFFAOYSA-N 0 0 403.660 4.223 20 30 HIEDRN CSc1ccccc1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410406956 855979205 /nfs/dbraw/zinc/97/92/05/855979205.db2.gz JIOMRXQDJCJKMG-UHFFFAOYSA-N 0 0 400.447 4.120 20 30 HIEDRN C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425950532 856015159 /nfs/dbraw/zinc/01/51/59/856015159.db2.gz KLMDFSKFNGWHJH-LAUBAEHRSA-N 0 0 421.497 4.001 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)s2)ccc1Oc1ccccc1 ZINC000425975133 856026260 /nfs/dbraw/zinc/02/62/60/856026260.db2.gz BDBJXTIPRCHKCI-UHFFFAOYSA-N 0 0 411.870 4.320 20 30 HIEDRN C=CCOc1cccc(NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000426070581 856086158 /nfs/dbraw/zinc/08/61/58/856086158.db2.gz OSLRNBJRUUAUDW-OAHLLOKOSA-N 0 0 408.420 4.243 20 30 HIEDRN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000426081858 856094791 /nfs/dbraw/zinc/09/47/91/856094791.db2.gz VXBQQDFVMBFZCY-UHFFFAOYSA-N 0 0 424.501 4.252 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000426095599 856104301 /nfs/dbraw/zinc/10/43/01/856104301.db2.gz FWVRAMCZCHLCGM-UNMCSNQZSA-N 0 0 401.470 4.204 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(Cl)c1 ZINC000426129198 856125924 /nfs/dbraw/zinc/12/59/24/856125924.db2.gz QQFDKYBNQJPAKR-ZDUSSCGKSA-N 0 0 419.710 4.375 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c(Cl)c1 ZINC000426129194 856126205 /nfs/dbraw/zinc/12/62/05/856126205.db2.gz QQFDKYBNQJPAKR-CYBMUJFWSA-N 0 0 419.710 4.375 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000426133189 856128495 /nfs/dbraw/zinc/12/84/95/856128495.db2.gz HTICGFZPUZDSMN-CYBMUJFWSA-N 0 0 411.811 4.203 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000426133190 856128601 /nfs/dbraw/zinc/12/86/01/856128601.db2.gz HTICGFZPUZDSMN-ZDUSSCGKSA-N 0 0 411.811 4.203 20 30 HIEDRN COCCOc1ccc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2Cl)cc1OC ZINC000426134984 856129639 /nfs/dbraw/zinc/12/96/39/856129639.db2.gz YKSCGDHEZQUERC-CYBMUJFWSA-N 0 0 403.866 4.128 20 30 HIEDRN N#Cc1ccc(NC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(Cl)c1 ZINC000426155047 856143540 /nfs/dbraw/zinc/14/35/40/856143540.db2.gz VDXYLULVJDTWGU-UHFFFAOYSA-N 0 0 423.904 4.143 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(Cl)c1 ZINC000426154404 856143789 /nfs/dbraw/zinc/14/37/89/856143789.db2.gz UOKVTYFUDHMAEB-IBGZPJMESA-N 0 0 419.312 4.060 20 30 HIEDRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000426165890 856148796 /nfs/dbraw/zinc/14/87/96/856148796.db2.gz LWTUMFIXFJHFNN-AWEZNQCLSA-N 0 0 405.285 4.274 20 30 HIEDRN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000437406218 862763223 /nfs/dbraw/zinc/76/32/23/862763223.db2.gz NCRRDVRTMGUTJQ-ZDUSSCGKSA-N 0 0 405.376 4.054 20 30 HIEDRN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000437406918 862763621 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HIEDRN CC(C)CCc1cc(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n[nH]1 ZINC000426430667 856286963 /nfs/dbraw/zinc/28/69/63/856286963.db2.gz QOICLTPSLFVAIR-UHFFFAOYSA-N 0 0 417.469 4.239 20 30 HIEDRN COc1ccc(C[C@H](NC(=O)CNc2cccc(C#N)c2)c2ccccc2)cc1OC ZINC000426446254 856294641 /nfs/dbraw/zinc/29/46/41/856294641.db2.gz VHPDAHMYHMKYPF-QFIPXVFZSA-N 0 0 415.493 4.088 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 ZINC000426445893 856294859 /nfs/dbraw/zinc/29/48/59/856294859.db2.gz QCPDBRPBJIOWJK-UHFFFAOYSA-N 0 0 410.480 4.170 20 30 HIEDRN N#Cc1cccc(NCC(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000426446841 856295016 /nfs/dbraw/zinc/29/50/16/856295016.db2.gz CSIWPTJHUBZASG-KRWDZBQOSA-N 0 0 421.888 4.080 20 30 HIEDRN CN(Cc1cccc2[nH]ccc21)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000426501805 856321705 /nfs/dbraw/zinc/32/17/05/856321705.db2.gz VFIOVPZBCGOHCM-UHFFFAOYSA-N 0 0 424.460 4.429 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1cccc2[nH]ccc21 ZINC000426503321 856322329 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LKYBUIOUAISBHQ-OXQOHEQNSA-N 0 0 416.568 4.190 20 30 HIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000437532917 862869913 /nfs/dbraw/zinc/86/99/13/862869913.db2.gz GBPYLEXVNWTEOD-TZYHBYERSA-N 0 0 410.514 4.074 20 30 HIEDRN CC1(C)CCCc2cc(C#N)c(NCc3cccc(NC(=O)Cn4cccn4)c3)nc21 ZINC000428121859 857079578 /nfs/dbraw/zinc/07/95/78/857079578.db2.gz QAHVRVXNQXEKEH-UHFFFAOYSA-N 0 0 414.513 4.014 20 30 HIEDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000428157969 857089643 /nfs/dbraw/zinc/08/96/43/857089643.db2.gz CMHNLSODKHKHGW-LEWJYISDSA-N 0 0 423.538 4.470 20 30 HIEDRN CCS[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000428162896 857091708 /nfs/dbraw/zinc/09/17/08/857091708.db2.gz SZOAOCCCWWKZTN-BFYDXBDKSA-N 0 0 405.589 4.057 20 30 HIEDRN C=C(C)Cn1c(SCC(=O)N2CCCc3cccc(C)c32)nnc1-c1ccco1 ZINC000428171654 857096014 /nfs/dbraw/zinc/09/60/14/857096014.db2.gz PANGBVWWADPXMU-UHFFFAOYSA-N 0 0 408.527 4.494 20 30 HIEDRN CC1(C)Cc2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)sc2C(=O)C1 ZINC000428199421 857108011 /nfs/dbraw/zinc/10/80/11/857108011.db2.gz MXVDFCGKZHHQFP-UHFFFAOYSA-N 0 0 419.510 4.328 20 30 HIEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC000428267105 857134354 /nfs/dbraw/zinc/13/43/54/857134354.db2.gz MXQGLIMLNWKYKB-NRFANRHFSA-N 0 0 422.897 4.302 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1-c1ccccc1 ZINC000428303141 857147050 /nfs/dbraw/zinc/14/70/50/857147050.db2.gz OOGRBXAUDOJFDD-UHFFFAOYSA-N 0 0 412.493 4.199 20 30 HIEDRN N#Cc1c(F)cccc1CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000428346266 857164141 /nfs/dbraw/zinc/16/41/41/857164141.db2.gz DZNSNITUORPMGY-SFHVURJKSA-N 0 0 403.461 4.052 20 30 HIEDRN N#Cc1cc(NC(=O)c2ccccc2CN2CCOCC2)ccc1Oc1ccccc1 ZINC000428370058 857179002 /nfs/dbraw/zinc/17/90/02/857179002.db2.gz NHUXBHYZALFGRV-UHFFFAOYSA-N 0 0 413.477 4.435 20 30 HIEDRN CCN([C@H](c1ccc(C(C)C)cc1)c1cccnc1)S(=O)(=O)c1cccnc1C#N ZINC000428372306 857180344 /nfs/dbraw/zinc/18/03/44/857180344.db2.gz IHAQWKNLHFXEFB-HSZRJFAPSA-N 0 0 420.538 4.272 20 30 HIEDRN Cc1ccc(C)c(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c1 ZINC000428505898 857230926 /nfs/dbraw/zinc/23/09/26/857230926.db2.gz DYWJYQRLRBWAHU-UHFFFAOYSA-N 0 0 413.525 4.043 20 30 HIEDRN CCCOc1cc(C)ccc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428508831 857231794 /nfs/dbraw/zinc/23/17/94/857231794.db2.gz HCYUYRDCACKEHW-UHFFFAOYSA-N 0 0 402.498 4.491 20 30 HIEDRN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428506773 857232058 /nfs/dbraw/zinc/23/20/58/857232058.db2.gz ALQNTQRLAHSDKH-INIZCTEOSA-N 0 0 415.522 4.434 20 30 HIEDRN Cc1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)nn1-c1cccc(C#N)c1 ZINC000428545043 857255481 /nfs/dbraw/zinc/25/54/81/857255481.db2.gz IDSMWJNLHRVLLB-UHFFFAOYSA-N 0 0 417.469 4.245 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1-c1ccccc1 ZINC000428620105 857279923 /nfs/dbraw/zinc/27/99/23/857279923.db2.gz HROLTCLNPLECIM-IBGZPJMESA-N 0 0 402.473 4.308 20 30 HIEDRN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccccc3Oc3ccccc3C#N)n2)c1 ZINC000428634237 857284117 /nfs/dbraw/zinc/28/41/17/857284117.db2.gz ZSUAORLWRDSICQ-MRXNPFEDSA-N 0 0 424.464 4.330 20 30 HIEDRN N#CCCn1ncc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1-c1ccccc1 ZINC000428710719 857305543 /nfs/dbraw/zinc/30/55/43/857305543.db2.gz KEILLVOUKZOREE-UHFFFAOYSA-N 0 0 418.472 4.286 20 30 HIEDRN CCOC1(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000428734048 857312540 /nfs/dbraw/zinc/31/25/40/857312540.db2.gz YBXIAORZYCZYBH-UHFFFAOYSA-N 0 0 400.567 4.311 20 30 HIEDRN O=C(NC1CC(F)(F)C1)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000428759094 857322540 /nfs/dbraw/zinc/32/25/40/857322540.db2.gz NVHDVEIVPJPVAI-UHFFFAOYSA-N 0 0 407.257 4.096 20 30 HIEDRN N#Cc1ccc(O[C@H]2CCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)nc1 ZINC000428770408 857328273 /nfs/dbraw/zinc/32/82/73/857328273.db2.gz FIRCMNVCYHZJQO-NRFANRHFSA-N 0 0 420.900 4.234 20 30 HIEDRN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000428773993 857330864 /nfs/dbraw/zinc/33/08/64/857330864.db2.gz UEZVCMLZTVMGNO-QRWLVFNGSA-N 0 0 417.431 4.368 20 30 HIEDRN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000428796614 857345738 /nfs/dbraw/zinc/34/57/38/857345738.db2.gz ZMGIDFPGIFCUOO-OPAMFIHVSA-N 0 0 406.461 4.109 20 30 HIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000428799816 857347989 /nfs/dbraw/zinc/34/79/89/857347989.db2.gz FFRCUSICWDDCNL-NRFANRHFSA-N 0 0 409.555 4.128 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cn2nc(C)nc2C)c1 ZINC000428809095 857353872 /nfs/dbraw/zinc/35/38/72/857353872.db2.gz PGWZZAVIBHCKDT-UHFFFAOYSA-N 0 0 402.502 4.259 20 30 HIEDRN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCOCC(F)(F)C(F)F ZINC000428818671 857358808 /nfs/dbraw/zinc/35/88/08/857358808.db2.gz PQXLOTPNUGADAF-SMDDNHRTSA-N 0 0 403.338 4.384 20 30 HIEDRN N#Cc1cccc(Oc2ccc(NC(=O)NCCn3c(=O)[nH]c4ccccc43)cc2)c1 ZINC000428881295 857385616 /nfs/dbraw/zinc/38/56/16/857385616.db2.gz KWGRXHBKNJEVCJ-UHFFFAOYSA-N 0 0 413.437 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419.456 4.174 20 30 HIEDRN N#CCC[C@H](NC(=O)NCCOc1ccc(Br)cc1)c1ccccc1 ZINC000429068876 857491941 /nfs/dbraw/zinc/49/19/41/857491941.db2.gz GEWSYTWQMQNWTQ-SFHVURJKSA-N 0 0 402.292 4.172 20 30 HIEDRN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)no1 ZINC000429107543 857512280 /nfs/dbraw/zinc/51/22/80/857512280.db2.gz BTKKKSFGHUECET-AWEZNQCLSA-N 0 0 423.395 4.375 20 30 HIEDRN C[C@H](COCC(F)(F)F)NC(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000429153859 857533305 /nfs/dbraw/zinc/53/33/05/857533305.db2.gz DXPYCZURKTZZFA-SNVBAGLBSA-N 0 0 416.337 4.143 20 30 HIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCn3ccnc3C2)cc1Cl ZINC000429169253 857539436 /nfs/dbraw/zinc/53/94/36/857539436.db2.gz ABDMWTKKFXXHCK-IEBWSBKVSA-N 0 0 405.889 4.328 20 30 HIEDRN CCN1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)C1=O ZINC000429176436 857542911 /nfs/dbraw/zinc/54/29/11/857542911.db2.gz XMIQFEOAFCCKJF-HNAYVOBHSA-N 0 0 410.905 4.080 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O 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4.376 20 30 HIEDRN CN(CC1(O)CCCCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000429376718 857631293 /nfs/dbraw/zinc/63/12/93/857631293.db2.gz KMRJFFKWUNAIHW-UHFFFAOYSA-N 0 0 420.513 4.360 20 30 HIEDRN Cc1noc(C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(C)C)c2ccccc2)n1 ZINC000429398877 857642776 /nfs/dbraw/zinc/64/27/76/857642776.db2.gz AXLCATOBQMSCCL-GOSISDBHSA-N 0 0 405.458 4.142 20 30 HIEDRN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429521148 857715154 /nfs/dbraw/zinc/71/51/54/857715154.db2.gz FGXRQYBRLQAFJJ-UHFFFAOYSA-N 0 0 422.485 4.154 20 30 HIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(c3ccncc3)CC2)c1C#N ZINC000429546718 857738172 /nfs/dbraw/zinc/73/81/72/857738172.db2.gz HRPNRLGUSIEMQP-UHFFFAOYSA-N 0 0 405.546 4.305 20 30 HIEDRN Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3nc4c(nccc4C)[nH]3)cc2)c(C)c1Cl ZINC000429585072 857768800 /nfs/dbraw/zinc/76/88/00/857768800.db2.gz HYWSGCMCYCANMQ-INIZCTEOSA-N 0 0 404.861 4.212 20 30 HIEDRN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cccc(NC(=O)C4CCCCC4)c3)nc21 ZINC000429593220 857775319 /nfs/dbraw/zinc/77/53/19/857775319.db2.gz VNSSMNNUDWGKLN-GOSISDBHSA-N 0 0 401.470 4.275 20 30 HIEDRN C[C@H](O)CNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000429603382 857785408 /nfs/dbraw/zinc/78/54/08/857785408.db2.gz SDBZEPQGPGEJDJ-WKEGUHRASA-N 0 0 412.252 4.008 20 30 HIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429787311 857884887 /nfs/dbraw/zinc/88/48/87/857884887.db2.gz WHAOLEXLJLVJSI-UHFFFAOYSA-N 0 0 402.248 4.280 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(Oc2ccccc2OCC)nc1 ZINC000437635570 862962854 /nfs/dbraw/zinc/96/28/54/862962854.db2.gz PPTWCUUDTJKHPW-XMSQKQJNSA-N 0 0 411.502 4.053 20 30 HIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429839290 857905684 /nfs/dbraw/zinc/90/56/84/857905684.db2.gz RTHVALFYOBTGSF-UHFFFAOYSA-N 0 0 405.248 4.194 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000429850020 857909814 /nfs/dbraw/zinc/90/98/14/857909814.db2.gz TUIRBMVHNUBMSY-NRFANRHFSA-N 0 0 419.550 4.193 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000429850647 857911311 /nfs/dbraw/zinc/91/13/11/857911311.db2.gz NFRJWAWHEDRKMV-UHFFFAOYSA-N 0 0 409.555 4.336 20 30 HIEDRN CC(C)Oc1cccnc1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000429860023 857915348 /nfs/dbraw/zinc/91/53/48/857915348.db2.gz KVRYREPWKCBPAL-UHFFFAOYSA-N 0 0 400.438 4.245 20 30 HIEDRN CSCC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nnc2ccccn21 ZINC000429869301 857920654 /nfs/dbraw/zinc/92/06/54/857920654.db2.gz PGQKMVUQCBLPJS-INIZCTEOSA-N 0 0 421.551 4.348 20 30 HIEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000429919708 857947429 /nfs/dbraw/zinc/94/74/29/857947429.db2.gz CUHNURFHGYXIQP-LLVKDONJSA-N 0 0 412.298 4.001 20 30 HIEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000437646048 862976810 /nfs/dbraw/zinc/97/68/10/862976810.db2.gz MCXMVWOSJMDEGY-IBGZPJMESA-N 0 0 407.543 4.382 20 30 HIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nccnc3N)sc2C1 ZINC000430134986 858047961 /nfs/dbraw/zinc/04/79/61/858047961.db2.gz RUAQPPYRLUGXTR-LBPRGKRZSA-N 0 0 415.588 4.264 20 30 HIEDRN C=CC[C@@H](C(=O)NC[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1 ZINC000430138834 858050117 /nfs/dbraw/zinc/05/01/17/858050117.db2.gz ISEGZUNYNPYRFT-FXAWDEMLSA-N 0 0 402.332 4.076 20 30 HIEDRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1Cl ZINC000430359043 858132684 /nfs/dbraw/zinc/13/26/84/858132684.db2.gz MJANZCPVXYMVOS-HXUWFJFHSA-N 0 0 408.889 4.015 20 30 HIEDRN N#CCC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1 ZINC000430359407 858132846 /nfs/dbraw/zinc/13/28/46/858132846.db2.gz RUUIPAAIKBTAII-UHFFFAOYSA-N 0 0 417.387 4.246 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 ZINC000430469956 858182257 /nfs/dbraw/zinc/18/22/57/858182257.db2.gz FRLXOWAUYBIRQN-UHFFFAOYSA-N 0 0 409.467 4.035 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000430509550 858204138 /nfs/dbraw/zinc/20/41/38/858204138.db2.gz JECPHQYJHKQNCU-UHFFFAOYSA-N 0 0 410.905 4.122 20 30 HIEDRN CC(C)(NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc([N+](=O)[O-])cc1 ZINC000430532844 858209117 /nfs/dbraw/zinc/20/91/17/858209117.db2.gz ZZODXNFWALCFEN-UHFFFAOYSA-N 0 0 405.410 4.304 20 30 HIEDRN N#Cc1cc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)ccc1F ZINC000430550644 858214403 /nfs/dbraw/zinc/21/44/03/858214403.db2.gz KKDYTVKUGBFADK-UHFFFAOYSA-N 0 0 420.625 4.207 20 30 HIEDRN Cc1ccccc1[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(C)(C)C ZINC000430586601 858228264 /nfs/dbraw/zinc/22/82/64/858228264.db2.gz UABCUGULZHFTIJ-JOCHJYFZSA-N 0 0 403.530 4.362 20 30 HIEDRN C[C@@H](CNC(=O)c1cccc(SCC#N)c1)Oc1cccc(Br)c1 ZINC000430590928 858229632 /nfs/dbraw/zinc/22/96/32/858229632.db2.gz DSMVKSXYYSMGMI-ZDUSSCGKSA-N 0 0 405.317 4.262 20 30 HIEDRN COc1cccc(Oc2ncccc2CNC(=O)c2cccc(SCC#N)c2)c1 ZINC000430605235 858234874 /nfs/dbraw/zinc/23/48/74/858234874.db2.gz QEPXFZVXOGYXCI-UHFFFAOYSA-N 0 0 405.479 4.428 20 30 HIEDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000430686071 858268980 /nfs/dbraw/zinc/26/89/80/858268980.db2.gz LARQCIHHPBGPTP-CBNMVNINSA-N 0 0 421.545 4.401 20 30 HIEDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1cccc(SCC#N)c1)C1CC1 ZINC000430705211 858275273 /nfs/dbraw/zinc/27/52/73/858275273.db2.gz QJAQYOCZKRGPKN-OAQYLSRUSA-N 0 0 408.523 4.081 20 30 HIEDRN N#CCSc1cccc(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000430736700 858281568 /nfs/dbraw/zinc/28/15/68/858281568.db2.gz FNAYKWJCVBJPTD-UHFFFAOYSA-N 0 0 406.467 4.394 20 30 HIEDRN C=CCN1C(=O)N(CCc2ccc(Br)s2)C(=O)[C@H]1Cc1ccccc1 ZINC000430781157 858302891 /nfs/dbraw/zinc/30/28/91/858302891.db2.gz ADEBCZXAODYYEM-MRXNPFEDSA-N 0 0 419.344 4.115 20 30 HIEDRN C=CCN1C(=O)N(CCc2ccc(Br)s2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430781155 858303567 /nfs/dbraw/zinc/30/35/67/858303567.db2.gz ADEBCZXAODYYEM-INIZCTEOSA-N 0 0 419.344 4.115 20 30 HIEDRN C=CCN1C(=O)N([C@H](C)c2ccc(OC(F)F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430857391 858337671 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422.916 4.270 20 30 HIEDRN COCCCOc1cccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000431094925 858444580 /nfs/dbraw/zinc/44/45/80/858444580.db2.gz CUKSBWZQZRKSIZ-UHFFFAOYSA-N 0 0 409.486 4.049 20 30 HIEDRN N#CCC1(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 ZINC000431148509 858471376 /nfs/dbraw/zinc/47/13/76/858471376.db2.gz HMWCMWCFDMWUGZ-UHFFFAOYSA-N 0 0 416.325 4.334 20 30 HIEDRN CCn1c(SCC(=O)NCC2(CC#N)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000431156997 858476845 /nfs/dbraw/zinc/47/68/45/858476845.db2.gz QIPMZMPADKCPJX-UHFFFAOYSA-N 0 0 424.357 4.174 20 30 HIEDRN N#CCC1(CNC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000431172669 858486406 /nfs/dbraw/zinc/48/64/06/858486406.db2.gz YMQPYSKGIYCKRD-UHFFFAOYSA-N 0 0 410.521 4.217 20 30 HIEDRN COc1cc2c(c(OC)c1OC)CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000431175059 858486892 /nfs/dbraw/zinc/48/68/92/858486892.db2.gz JVIDVTWAAJXJDN-UHFFFAOYSA-N 0 0 419.443 4.184 20 30 HIEDRN Cc1c(NC(=O)C2(c3cccc(C#N)c3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000431177636 858488563 /nfs/dbraw/zinc/48/85/63/858488563.db2.gz AYVPVRNUDUUCBT-UHFFFAOYSA-N 0 0 400.232 4.208 20 30 HIEDRN C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1noc(Cc2ccccc2)n1 ZINC000431193524 858497470 /nfs/dbraw/zinc/49/74/70/858497470.db2.gz OSAXHVFAMLGQMV-SFHVURJKSA-N 0 0 423.476 4.338 20 30 HIEDRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)NCC1(CC#N)CC1)CC2 ZINC000431200048 858499120 /nfs/dbraw/zinc/49/91/20/858499120.db2.gz ZZQHYVYLNOAETL-HXUWFJFHSA-N 0 0 411.527 4.116 20 30 HIEDRN CCC(CC)n1nccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000431255639 858534554 /nfs/dbraw/zinc/53/45/54/858534554.db2.gz CDFZPMSJRKIXJI-CQSZACIVSA-N 0 0 409.515 4.323 20 30 HIEDRN N#CCCC[C@@H](NC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000431308570 858556741 /nfs/dbraw/zinc/55/67/41/858556741.db2.gz VTHINMHBNODWIT-LEWJYISDSA-N 0 0 405.502 4.027 20 30 HIEDRN N#Cc1ccccc1OC1CCC(N2C(=O)N[C@H](Cc3ccccc3Cl)C2=O)CC1 ZINC000431341105 858572695 /nfs/dbraw/zinc/57/26/95/858572695.db2.gz ZEFYABSALHNKTR-AFMYVXGZSA-N 0 0 423.900 4.065 20 30 HIEDRN C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccc2c(c1)OCO2 ZINC000431355590 858577646 /nfs/dbraw/zinc/57/76/46/858577646.db2.gz ZLSFMEFHTPHWLM-HNNXBMFYSA-N 0 0 413.433 4.281 20 30 HIEDRN N#CC1CCN(C(=O)C(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000431378695 858585863 /nfs/dbraw/zinc/58/58/63/858585863.db2.gz UKFZXMHFXYJUJR-UHFFFAOYSA-N 0 0 424.913 4.317 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCSC2(CCCCC2)C1 ZINC000431382419 858587416 /nfs/dbraw/zinc/58/74/16/858587416.db2.gz MGDRCYQFWRCBHG-MRXNPFEDSA-N 0 0 417.600 4.155 20 30 HIEDRN C=CCN(C(=O)NC[C@@H]1CCCCC(F)(F)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000431384461 858588279 /nfs/dbraw/zinc/58/82/79/858588279.db2.gz SOJALWQSAVYENI-IAGOWNOFSA-N 0 0 418.492 4.137 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000431455480 858625547 /nfs/dbraw/zinc/62/55/47/858625547.db2.gz IGIIQLWLXVUNDB-UHFFFAOYSA-N 0 0 415.518 4.218 20 30 HIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(OCC(F)(F)F)c1 ZINC000431481104 858637027 /nfs/dbraw/zinc/63/70/27/858637027.db2.gz FKOXLOGSLLPPGS-UHFFFAOYSA-N 0 0 401.306 4.428 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000431511683 858650201 /nfs/dbraw/zinc/65/02/01/858650201.db2.gz LNUACYMEVQUSLK-BEFAXECRSA-N 0 0 407.539 4.416 20 30 HIEDRN C=CCN1C(=O)N(Cc2ccccc2-n2nc(C)cc2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431536636 858660443 /nfs/dbraw/zinc/66/04/43/858660443.db2.gz DVGLBEKINHEJBX-HSZRJFAPSA-N 0 0 414.509 4.051 20 30 HIEDRN C=CCC[C@@H](NS(=O)(=O)CCC1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000431547389 858664817 /nfs/dbraw/zinc/66/48/17/858664817.db2.gz AKCGYRJGRRLPHN-GOSISDBHSA-N 0 0 405.482 4.449 20 30 HIEDRN COc1ccccc1-c1noc(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000431575493 858675160 /nfs/dbraw/zinc/67/51/60/858675160.db2.gz RAKVSHYSIKWSNJ-UHFFFAOYSA-N 0 0 403.442 4.028 20 30 HIEDRN N#Cc1cnc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000431588233 858679323 /nfs/dbraw/zinc/67/93/23/858679323.db2.gz ZRDPORGFBWYAPY-UHFFFAOYSA-N 0 0 406.660 4.411 20 30 HIEDRN COc1ccc(NC(=O)c2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)cc1 ZINC000431588280 858679437 /nfs/dbraw/zinc/67/94/37/858679437.db2.gz FENOWLGHRZWVEB-UHFFFAOYSA-N 0 0 406.829 4.120 20 30 HIEDRN CCc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)cc1 ZINC000431598777 858681952 /nfs/dbraw/zinc/68/19/52/858681952.db2.gz DDPYRXJHOQVFAH-KRWDZBQOSA-N 0 0 408.445 4.318 20 30 HIEDRN C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000437723628 863053070 /nfs/dbraw/zinc/05/30/70/863053070.db2.gz KVTWDCZFNLRSBV-DGGJZMOXSA-N 0 0 405.498 4.064 20 30 HIEDRN COc1cc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1Br ZINC000431641832 858706590 /nfs/dbraw/zinc/70/65/90/858706590.db2.gz XCDYTZGVBSDDSI-KRWDZBQOSA-N 0 0 423.332 4.171 20 30 HIEDRN COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000431713422 858756326 /nfs/dbraw/zinc/75/63/26/858756326.db2.gz SRNNFUMDFKVDGO-QGZVFWFLSA-N 0 0 413.477 4.358 20 30 HIEDRN C=C[C@@](C)(O)CC(=O)Nc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000431766852 858802530 /nfs/dbraw/zinc/80/25/30/858802530.db2.gz SVKMJSIEGWDPMW-HXUWFJFHSA-N 0 0 406.841 4.006 20 30 HIEDRN N#CCCC[C@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1 ZINC000431781669 858809378 /nfs/dbraw/zinc/80/93/78/858809378.db2.gz LTGLHPRFOWGXIR-QFIPXVFZSA-N 0 0 404.514 4.043 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000431838224 858834394 /nfs/dbraw/zinc/83/43/94/858834394.db2.gz QIKGYODLKNRZAU-UHFFFAOYSA-N 0 0 417.288 4.312 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000431844316 858837233 /nfs/dbraw/zinc/83/72/33/858837233.db2.gz DEVSVDJTQOQISP-QGZVFWFLSA-N 0 0 407.520 4.235 20 30 HIEDRN Cc1cccc(COc2ccc(CNC(=O)C(=O)Nc3cccc(C#N)c3C)cc2)c1 ZINC000431855843 858841523 /nfs/dbraw/zinc/84/15/23/858841523.db2.gz CDWYNRKSASZLNY-UHFFFAOYSA-N 0 0 413.477 4.009 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000431863538 858843938 /nfs/dbraw/zinc/84/39/38/858843938.db2.gz FVQDYWWRRBWOOT-UHFFFAOYSA-N 0 0 406.492 4.005 20 30 HIEDRN C=CCN1C(=O)N([C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431944738 858881184 /nfs/dbraw/zinc/88/11/84/858881184.db2.gz ZBANBZGDOGVABU-DNVJHFABSA-N 0 0 404.510 4.277 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000431950439 858883528 /nfs/dbraw/zinc/88/35/28/858883528.db2.gz LVVQKYXZEONUAF-UHFFFAOYSA-N 0 0 403.869 4.442 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000431957578 858887678 /nfs/dbraw/zinc/88/76/78/858887678.db2.gz LBDUHCIYYQGNCZ-UHFFFAOYSA-N 0 0 404.297 4.206 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000431970210 858894734 /nfs/dbraw/zinc/89/47/34/858894734.db2.gz PEVUXKBEPQWQBE-LJQANCHMSA-N 0 0 409.898 4.426 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000432009499 858923591 /nfs/dbraw/zinc/92/35/91/858923591.db2.gz WFMLSOSRXXJDDM-OAQYLSRUSA-N 0 0 419.550 4.193 20 30 HIEDRN C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c(OC)c1 ZINC000432013026 858925997 /nfs/dbraw/zinc/92/59/97/858925997.db2.gz PAYLJSRNTISKHR-KRWDZBQOSA-N 0 0 405.498 4.174 20 30 HIEDRN COC(=O)C1(N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCCC1 ZINC000432014813 858928938 /nfs/dbraw/zinc/92/89/38/858928938.db2.gz XRLNNCVEJMGACR-UHFFFAOYSA-N 0 0 408.498 4.063 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000432021095 858933968 /nfs/dbraw/zinc/93/39/68/858933968.db2.gz RWPZFPXLQBVPOE-UHFFFAOYSA-N 0 0 401.264 4.452 20 30 HIEDRN C=CCN1C(=O)N(C[C@@H](OC(C)C)c2ccccc2OC)C(=O)[C@H]1Cc1ccccc1 ZINC000432034864 858941894 /nfs/dbraw/zinc/94/18/94/858941894.db2.gz CENJXQSMAWIUBV-FYYLOGMGSA-N 0 0 422.525 4.223 20 30 HIEDRN N#Cc1cc(Cl)cc(Br)c1NCc1cccc(N2CCOCC2)c1 ZINC000432129330 859006092 /nfs/dbraw/zinc/00/60/92/859006092.db2.gz KMOXQJNBSFPJJQ-UHFFFAOYSA-N 0 0 406.711 4.423 20 30 HIEDRN CC(C)C[C@](C)(NC(=O)Nc1ccn(CCC#N)n1)c1cccc(Br)c1 ZINC000432135230 859009934 /nfs/dbraw/zinc/00/99/34/859009934.db2.gz ZGMAGDQIAKXIFJ-IBGZPJMESA-N 0 0 418.339 4.642 20 30 HIEDRN CCCc1c(NC(=O)[C@H]2CCc3ccc(OC)cc32)cnn1-c1cccc(C#N)c1 ZINC000432143621 859013589 /nfs/dbraw/zinc/01/35/89/859013589.db2.gz PUCGBUSTIUDREV-FQEVSTJZSA-N 0 0 400.482 4.374 20 30 HIEDRN CCCc1c(NC(=O)c2ccc(-c3cc[nH]n3)s2)cnn1-c1cccc(C#N)c1 ZINC000432144348 859014790 /nfs/dbraw/zinc/01/47/90/859014790.db2.gz WYGACOOJKBBVDD-UHFFFAOYSA-N 0 0 402.483 4.400 20 30 HIEDRN CC[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000432188807 859038378 /nfs/dbraw/zinc/03/83/78/859038378.db2.gz YFCRTKNBMMPQHG-ZDUSSCGKSA-N 0 0 424.448 4.410 20 30 HIEDRN Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccc([N+](=O)[O-])cc12 ZINC000432236940 859061305 /nfs/dbraw/zinc/06/13/05/859061305.db2.gz XXWYFQLRSTZBJG-UHFFFAOYSA-N 0 0 409.471 4.094 20 30 HIEDRN N#CCC1(CNC(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CC1 ZINC000432237875 859062081 /nfs/dbraw/zinc/06/20/81/859062081.db2.gz LOANKBFLLDSLGJ-UHFFFAOYSA-N 0 0 402.907 4.147 20 30 HIEDRN C[C@@H]1C[C@]2(CCO1)CN(C(=O)Nc1ccccc1C#Cc1ccccc1)C[C@H](C)O2 ZINC000432245756 859065986 /nfs/dbraw/zinc/06/59/86/859065986.db2.gz JUWRKLCRNKJVJI-OHUGHZGNSA-N 0 0 404.510 4.277 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000432256334 859071216 /nfs/dbraw/zinc/07/12/16/859071216.db2.gz GRZVOAVNVKMTIH-UHFFFAOYSA-N 0 0 419.348 4.040 20 30 HIEDRN COc1ccc(Cl)cc1C1(CNC(=O)Nc2cccc(C#N)c2C)CCOCC1 ZINC000432260785 859073231 /nfs/dbraw/zinc/07/32/31/859073231.db2.gz WHLKPCMWIWYSFP-UHFFFAOYSA-N 0 0 413.905 4.399 20 30 HIEDRN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000432262850 859074561 /nfs/dbraw/zinc/07/45/61/859074561.db2.gz CTRIJCKCZVQCHJ-UHFFFAOYSA-N 0 0 418.522 4.380 20 30 HIEDRN N#Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432270268 859077416 /nfs/dbraw/zinc/07/74/16/859077416.db2.gz UUCAABAZCXDXCJ-AWEZNQCLSA-N 0 0 402.825 4.226 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000432272559 859078072 /nfs/dbraw/zinc/07/80/72/859078072.db2.gz UYNJGNUNGKURMQ-GOSISDBHSA-N 0 0 402.454 4.039 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000432300931 859091872 /nfs/dbraw/zinc/09/18/72/859091872.db2.gz GWXGNLCCFWQRPZ-UHFFFAOYSA-N 0 0 422.492 4.495 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1Br ZINC000432305387 859094379 /nfs/dbraw/zinc/09/43/79/859094379.db2.gz BMRPXHITBDENMX-GOSISDBHSA-N 0 0 417.328 4.237 20 30 HIEDRN N#Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccc1C(F)(F)F ZINC000432306297 859095670 /nfs/dbraw/zinc/09/56/70/859095670.db2.gz HFAWAWSDCAMTCN-GOSISDBHSA-N 0 0 406.429 4.493 20 30 HIEDRN CC(=O)c1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(CC#N)cc1 ZINC000432345277 859112440 /nfs/dbraw/zinc/11/24/40/859112440.db2.gz FAIYUHPPRSTJGN-UHFFFAOYSA-N 0 0 421.678 4.389 20 30 HIEDRN CC1CCC(N(c2cccc(N3CCCC3)c2)S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000432354963 859118194 /nfs/dbraw/zinc/11/81/94/859118194.db2.gz BNXALEAGPZBWQG-UHFFFAOYSA-N 0 0 424.570 4.327 20 30 HIEDRN N#Cc1cccc(CCNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000432356277 859118248 /nfs/dbraw/zinc/11/82/48/859118248.db2.gz HMTQATHTOHWHPA-IBGZPJMESA-N 0 0 412.331 4.137 20 30 HIEDRN C[C@@H](C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000432358705 859119281 /nfs/dbraw/zinc/11/92/81/859119281.db2.gz NJUMNSBBBOOAMX-INIZCTEOSA-N 0 0 419.554 4.352 20 30 HIEDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)cn1 ZINC000432393558 859142703 /nfs/dbraw/zinc/14/27/03/859142703.db2.gz GEDYYKWQXWYYNU-UHFFFAOYSA-N 0 0 416.481 4.140 20 30 HIEDRN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000432404161 859147522 /nfs/dbraw/zinc/14/75/22/859147522.db2.gz CYGYHNGTKKDVHZ-GFCCVEGCSA-N 0 0 402.248 4.452 20 30 HIEDRN N#Cc1nn(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc12 ZINC000432457078 859171789 /nfs/dbraw/zinc/17/17/89/859171789.db2.gz OHWYLTXCZQAAKH-HSZRJFAPSA-N 0 0 400.869 4.467 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000432467782 859178078 /nfs/dbraw/zinc/17/80/78/859178078.db2.gz BNWGOWXAHYYWFB-UHFFFAOYSA-N 0 0 407.367 4.141 20 30 HIEDRN CCc1ccc([C@H](NC(=O)Cn2nc(C#N)c3ccccc32)c2cccs2)cc1 ZINC000432469322 859179162 /nfs/dbraw/zinc/17/91/62/859179162.db2.gz NTLODWAVDSAWND-QHCPKHFHSA-N 0 0 400.507 4.438 20 30 HIEDRN Cn1cc(Nc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)cn1 ZINC000432493457 859191909 /nfs/dbraw/zinc/19/19/09/859191909.db2.gz BLGDQJCSGXXVPK-KRWDZBQOSA-N 0 0 400.269 4.465 20 30 HIEDRN COc1ccc(CC2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000432496523 859194110 /nfs/dbraw/zinc/19/41/10/859194110.db2.gz VGTFKUZUBWNEJM-UHFFFAOYSA-N 0 0 419.525 4.157 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000432504450 859198676 /nfs/dbraw/zinc/19/86/76/859198676.db2.gz ZFUVLWUIWUPJHR-QHCPKHFHSA-N 0 0 419.525 4.268 20 30 HIEDRN CCC[C@H](C)C(=O)NCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000432508390 859200930 /nfs/dbraw/zinc/20/09/30/859200930.db2.gz CFHGLHPQXFOFMG-ROUUACIJSA-N 0 0 406.530 4.138 20 30 HIEDRN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cn(CCC#N)nc1-c1ccncc1 ZINC000432511636 859201973 /nfs/dbraw/zinc/20/19/73/859201973.db2.gz HYWBHJHXAHMYOC-NRFANRHFSA-N 0 0 420.904 4.489 20 30 HIEDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432523443 859207736 /nfs/dbraw/zinc/20/77/36/859207736.db2.gz NHBGPSQYTDLMNO-UHFFFAOYSA-N 0 0 415.453 4.197 20 30 HIEDRN Cc1cc(C)c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(Br)c1 ZINC000432527186 859209383 /nfs/dbraw/zinc/20/93/83/859209383.db2.gz PWTAHDJZMSNJNS-UHFFFAOYSA-N 0 0 402.292 4.226 20 30 HIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432571108 859232558 /nfs/dbraw/zinc/23/25/58/859232558.db2.gz FZZIRRFLTOMXOV-IFXJQAMLSA-N 0 0 404.495 4.284 20 30 HIEDRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000432588529 859242573 /nfs/dbraw/zinc/24/25/73/859242573.db2.gz PVMLWZWRNPSJJO-OAQYLSRUSA-N 0 0 421.497 4.048 20 30 HIEDRN N#C[C@@H](NC(=O)Cc1cscc1Br)c1ccc(Br)cc1 ZINC000432592746 859244420 /nfs/dbraw/zinc/24/44/20/859244420.db2.gz KVKXUFSVOMBYME-CYBMUJFWSA-N 0 0 414.122 4.197 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cnn(Cc2ccccc2)c1 ZINC000432653410 859275122 /nfs/dbraw/zinc/27/51/22/859275122.db2.gz AUEIKLZHWQJBFY-QGZVFWFLSA-N 0 0 406.511 4.343 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000432665364 859279876 /nfs/dbraw/zinc/27/98/76/859279876.db2.gz CBESSKWCSXGKNP-UHFFFAOYSA-N 0 0 408.889 4.439 20 30 HIEDRN CCOC1(C)CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CC1 ZINC000432670675 859283214 /nfs/dbraw/zinc/28/32/14/859283214.db2.gz SPFHQQAEDYANTD-UHFFFAOYSA-N 0 0 420.509 4.296 20 30 HIEDRN COc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1N1CCCC1=O ZINC000432689620 859296384 /nfs/dbraw/zinc/29/63/84/859296384.db2.gz KEAZHOKQGORGDR-IBGZPJMESA-N 0 0 406.486 4.379 20 30 HIEDRN N#CCCC[C@H](NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000432701928 859303852 /nfs/dbraw/zinc/30/38/52/859303852.db2.gz CUSYGZPRRROAMX-SFTDATJTSA-N 0 0 406.486 4.361 20 30 HIEDRN N#CCCC[C@@H](NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000432701927 859304470 /nfs/dbraw/zinc/30/44/70/859304470.db2.gz CUSYGZPRRROAMX-RTWAWAEBSA-N 0 0 406.486 4.361 20 30 HIEDRN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(C#N)cc(N(C)C)c4)CC3)c2c1 ZINC000432708787 859310166 /nfs/dbraw/zinc/31/01/66/859310166.db2.gz NUEXMVWMCSIFFK-UHFFFAOYSA-N 0 0 400.482 4.044 20 30 HIEDRN CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000432716353 859315617 /nfs/dbraw/zinc/31/56/17/859315617.db2.gz IETBIZPRSNHFDB-UHFFFAOYSA-N 0 0 408.845 4.375 20 30 HIEDRN N#CCCn1cc(CNc2ccc(C(=O)NC3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000432746691 859332268 /nfs/dbraw/zinc/33/22/68/859332268.db2.gz JSLSRQUSYVYWKS-UHFFFAOYSA-N 0 0 414.513 4.143 20 30 HIEDRN C[C@H](c1ccccc1)[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(N)=O ZINC000432753076 859335725 /nfs/dbraw/zinc/33/57/25/859335725.db2.gz ABIOXRLZHQWCDS-ZHRRBRCNSA-N 0 0 414.465 4.130 20 30 HIEDRN C[C@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(N)=O ZINC000432753075 859335852 /nfs/dbraw/zinc/33/58/52/859335852.db2.gz ABIOXRLZHQWCDS-OPAMFIHVSA-N 0 0 414.465 4.130 20 30 HIEDRN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000432759516 859338791 /nfs/dbraw/zinc/33/87/91/859338791.db2.gz VKFJSBYKLFBVFF-OAQYLSRUSA-N 0 0 406.486 4.119 20 30 HIEDRN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(F)c1 ZINC000432765267 859345000 /nfs/dbraw/zinc/34/50/00/859345000.db2.gz LZSORCVTFXSXFG-UHFFFAOYSA-N 0 0 413.268 4.048 20 30 HIEDRN C[C@@H](c1ccccc1)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(N)=O ZINC000432770399 859350557 /nfs/dbraw/zinc/35/05/57/859350557.db2.gz RVLSZVHMBLJZNX-AOMKIAJQSA-N 0 0 414.465 4.130 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1Br ZINC000432780956 859357069 /nfs/dbraw/zinc/35/70/69/859357069.db2.gz PGZPYXNMKCEISD-UHFFFAOYSA-N 0 0 419.300 4.104 20 30 HIEDRN CCc1nc(C)c(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)o1 ZINC000432792968 859362151 /nfs/dbraw/zinc/36/21/51/859362151.db2.gz MYLFCVRCWUAWCG-UHFFFAOYSA-N 0 0 408.433 4.457 20 30 HIEDRN Cc1nc([C@@](C)(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C2CC2)no1 ZINC000432797556 859364701 /nfs/dbraw/zinc/36/47/01/859364701.db2.gz FPQZECLKDKAAAH-QFIPXVFZSA-N 0 0 403.442 4.489 20 30 HIEDRN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000432799524 859365910 /nfs/dbraw/zinc/36/59/10/859365910.db2.gz CBTNCAVMWURPAW-OAQYLSRUSA-N 0 0 406.486 4.119 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000432830685 859377568 /nfs/dbraw/zinc/37/75/68/859377568.db2.gz GWCFXSYAULADAS-PXNSSMCTSA-N 0 0 415.415 4.434 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000432836421 859380850 /nfs/dbraw/zinc/38/08/50/859380850.db2.gz USBUGYILHILLAV-GOSISDBHSA-N 0 0 414.303 4.022 20 30 HIEDRN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000432839694 859382335 /nfs/dbraw/zinc/38/23/35/859382335.db2.gz NHADRUHTMUSAPF-GOSISDBHSA-N 0 0 402.281 4.417 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000432839995 859382804 /nfs/dbraw/zinc/38/28/04/859382804.db2.gz ONZCDMYIJAHBFX-GOSISDBHSA-N 0 0 423.282 4.398 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000432868704 859397563 /nfs/dbraw/zinc/39/75/63/859397563.db2.gz WVOGAARXAWHLBO-INIZCTEOSA-N 0 0 410.547 4.004 20 30 HIEDRN CSC[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000432912195 859425622 /nfs/dbraw/zinc/42/56/22/859425622.db2.gz AVLOMLHTUCHCCE-QGZVFWFLSA-N 0 0 408.527 4.417 20 30 HIEDRN Cc1ccc(-c2ccc(C)c(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)o1 ZINC000432978420 859460637 /nfs/dbraw/zinc/46/06/37/859460637.db2.gz RYBPQEJTPLDEPH-UHFFFAOYSA-N 0 0 401.470 4.184 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000433015499 859478344 /nfs/dbraw/zinc/47/83/44/859478344.db2.gz XFBIGHJAGKMGJE-UHFFFAOYSA-N 0 0 417.400 4.393 20 30 HIEDRN COc1cc(C#N)ccc1OCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000433079433 859513333 /nfs/dbraw/zinc/51/33/33/859513333.db2.gz WIFMPZSXFABZEA-GFCCVEGCSA-N 0 0 405.281 4.398 20 30 HIEDRN CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000433118229 859528046 /nfs/dbraw/zinc/52/80/46/859528046.db2.gz WFAOIXBGLJBOBC-UHFFFAOYSA-N 0 0 422.485 4.406 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(N2CCOCC2)c1 ZINC000433138547 859536497 /nfs/dbraw/zinc/53/64/97/859536497.db2.gz SOJBRAFBSFQYDT-KRWDZBQOSA-N 0 0 410.543 4.097 20 30 HIEDRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000433157070 859545184 /nfs/dbraw/zinc/54/51/84/859545184.db2.gz LDWRWCOMMUYMGL-HXOBKFHXSA-N 0 0 423.538 4.429 20 30 HIEDRN CCc1nc(-c2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)n[nH]1 ZINC000433193409 859561752 /nfs/dbraw/zinc/56/17/52/859561752.db2.gz JVOKLYOQDMZILX-OAHLLOKOSA-N 0 0 400.269 4.336 20 30 HIEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000433219531 859573654 /nfs/dbraw/zinc/57/36/54/859573654.db2.gz IHENVVDTVQQQAC-LJQANCHMSA-N 0 0 419.506 4.198 20 30 HIEDRN CO[C@@H](CCNC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(F)(F)F ZINC000433224524 859576942 /nfs/dbraw/zinc/57/69/42/859576942.db2.gz ZPULJEVBPHKLKV-JTQLQIEISA-N 0 0 410.261 4.396 20 30 HIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](Oc4ccncc4)C3)cc2)cc1 ZINC000433234853 859582198 /nfs/dbraw/zinc/58/21/98/859582198.db2.gz LNTFSLPFAJSRND-JOCHJYFZSA-N 0 0 400.438 4.431 20 30 HIEDRN CN(c1ccccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCC1 ZINC000433256252 859596036 /nfs/dbraw/zinc/59/60/36/859596036.db2.gz KLOPTDCRXYWGEH-IBGZPJMESA-N 0 0 405.502 4.017 20 30 HIEDRN CC1(C)CN(CC(=O)Nc2sccc2C#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433301993 859625875 /nfs/dbraw/zinc/62/58/75/859625875.db2.gz WRMOPFSSYJPLKA-MRXNPFEDSA-N 0 0 423.460 4.429 20 30 HIEDRN Cc1oc(NC(=O)CN2CC[C@H](Cc3ccc(Br)cc3)C2)c(C#N)c1C ZINC000433311000 859633249 /nfs/dbraw/zinc/63/32/49/859633249.db2.gz KJVDQPIVSMWEON-MRXNPFEDSA-N 0 0 416.319 4.034 20 30 HIEDRN COc1ccc(CN(C(=O)CN(C)CC(C)(C)C#N)[C@@H](C)Cc2cccs2)cc1 ZINC000433318626 859637261 /nfs/dbraw/zinc/63/72/61/859637261.db2.gz OQZLLNSYIZTVSR-SFHVURJKSA-N 0 0 413.587 4.198 20 30 HIEDRN N#CCCn1cc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)c(-c2ccncc2)n1 ZINC000433324757 859641930 /nfs/dbraw/zinc/64/19/30/859641930.db2.gz CJEUCOILAWXRSN-UHFFFAOYSA-N 0 0 410.485 4.133 20 30 HIEDRN N#C[C@H](CCc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000433339776 859653986 /nfs/dbraw/zinc/65/39/86/859653986.db2.gz BXDGCVRJEIKLBV-QFIPXVFZSA-N 0 0 421.504 4.323 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1nc2oc(C)c(C)c2c(N)n1 ZINC000433386859 859670558 /nfs/dbraw/zinc/67/05/58/859670558.db2.gz IYGHIQHYMQWTHQ-UHFFFAOYSA-N 0 0 422.514 4.071 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC(=O)c3cccn32)cc1 ZINC000433391444 859671972 /nfs/dbraw/zinc/67/19/72/859671972.db2.gz VNVYXWBHLNNWOX-LJQANCHMSA-N 0 0 401.422 4.317 20 30 HIEDRN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc(C#N)cn2C)c1 ZINC000433407944 859682871 /nfs/dbraw/zinc/68/28/71/859682871.db2.gz ZOVDQIXZECWKFI-KRWDZBQOSA-N 0 0 400.482 4.259 20 30 HIEDRN O=C(Nc1ccc(NCC#Cc2ccc(F)cc2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000433472885 859719690 /nfs/dbraw/zinc/71/96/90/859719690.db2.gz YDHAVNHQSFVAQL-LJQANCHMSA-N 0 0 406.379 4.426 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000433524307 859755331 /nfs/dbraw/zinc/75/53/31/859755331.db2.gz ICOLJKKLNLTSKZ-KRWDZBQOSA-N 0 0 406.244 4.306 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(F)c1 ZINC000433525856 859756834 /nfs/dbraw/zinc/75/68/34/859756834.db2.gz RZLVWFPTAYWSRK-FQEVSTJZSA-N 0 0 407.832 4.195 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)cc1 ZINC000433551249 859771922 /nfs/dbraw/zinc/77/19/22/859771922.db2.gz RKIJCBOEMQOVRE-UHFFFAOYSA-N 0 0 409.392 4.320 20 30 HIEDRN CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000467668903 881462524 /nfs/dbraw/zinc/46/25/24/881462524.db2.gz MEGCMXZIKMEJAE-INIZCTEOSA-N 0 0 409.461 4.323 20 30 HIEDRN CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000467672884 881464908 /nfs/dbraw/zinc/46/49/08/881464908.db2.gz BFSDFASCGYUBEV-SFHVURJKSA-N 0 0 423.488 4.109 20 30 HIEDRN C[C@H]1CC2(CCC2)CN1C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000433652399 859824928 /nfs/dbraw/zinc/82/49/28/859824928.db2.gz ZNDFMDSGIMPILO-INIZCTEOSA-N 0 0 421.472 4.006 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433655414 859825826 /nfs/dbraw/zinc/82/58/26/859825826.db2.gz GZMYTXFDWBBFNG-CYBMUJFWSA-N 0 0 419.909 4.470 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000433697653 859842027 /nfs/dbraw/zinc/84/20/27/859842027.db2.gz PDNWOEXHVUQGEB-LJQANCHMSA-N 0 0 402.479 4.089 20 30 HIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000433698315 859842035 /nfs/dbraw/zinc/84/20/35/859842035.db2.gz VNVFDRMAVABYES-UHFFFAOYSA-N 0 0 408.502 4.134 20 30 HIEDRN COc1ccc([C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(F)cc2)cc1 ZINC000433700941 859843461 /nfs/dbraw/zinc/84/34/61/859843461.db2.gz YGPNCYYEHZJYLF-BJKOFHAPSA-N 0 0 415.468 4.190 20 30 HIEDRN N#Cc1ccsc1N1CC[C@H](Nc2ccccc2NC(=O)c2ccccc2)C1=O ZINC000433713859 859849373 /nfs/dbraw/zinc/84/93/73/859849373.db2.gz NTSLEIWUDKCOJE-IBGZPJMESA-N 0 0 402.479 4.089 20 30 HIEDRN N#Cc1ccsc1N1CC[C@@H](Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1=O ZINC000433726942 859857165 /nfs/dbraw/zinc/85/71/65/859857165.db2.gz DXQCPEKCBLBYHB-JKSUJKDBSA-N 0 0 417.918 4.048 20 30 HIEDRN Cc1c(Br)ccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1F ZINC000433728107 859858223 /nfs/dbraw/zinc/85/82/23/859858223.db2.gz LDNZMSQJWBBRRA-QGZVFWFLSA-N 0 0 418.266 4.374 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Cc2cc(Br)ccc2F)cc1 ZINC000433731500 859861610 /nfs/dbraw/zinc/86/16/10/859861610.db2.gz ZSJOWPFMBQGDSZ-UHFFFAOYSA-N 0 0 406.255 4.077 20 30 HIEDRN COc1cc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OC(C)C ZINC000467679204 881472967 /nfs/dbraw/zinc/47/29/67/881472967.db2.gz UXPXBSGMHAMQHI-UHFFFAOYSA-N 0 0 424.501 4.261 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000467682205 881474147 /nfs/dbraw/zinc/47/41/47/881474147.db2.gz WIVNVUOFJUMNQK-DENIHFKCSA-N 0 0 407.489 4.119 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1sc(C)nc1C 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408.498 4.132 20 30 HIEDRN C=CCC[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccccc1 ZINC000435284316 860717847 /nfs/dbraw/zinc/71/78/47/860717847.db2.gz GRNUAHIWDIDVPS-QHCPKHFHSA-N 0 0 406.526 4.128 20 30 HIEDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000435286850 860720244 /nfs/dbraw/zinc/72/02/44/860720244.db2.gz FIHMJVDVWZRWNN-SFHVURJKSA-N 0 0 419.403 4.093 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)cc1C#N ZINC000435353284 860754013 /nfs/dbraw/zinc/75/40/13/860754013.db2.gz GEEAZZVQFOAJIX-UHFFFAOYSA-N 0 0 407.449 4.441 20 30 HIEDRN N#Cc1cccc(C2(C(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)CC2)c1 ZINC000435355852 860756754 /nfs/dbraw/zinc/75/67/54/860756754.db2.gz VPDLPHYAWFHHSS-AWEZNQCLSA-N 0 0 405.445 4.471 20 30 HIEDRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OC(C)C)c(C#N)c3)n2)cc1F ZINC000435356424 860757365 /nfs/dbraw/zinc/75/73/65/860757365.db2.gz GMWAVBDUPHAKAK-UHFFFAOYSA-N 0 0 408.433 4.414 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)cc1C#N ZINC000435358285 860758722 /nfs/dbraw/zinc/75/87/22/860758722.db2.gz OLCPPCDPTRURGU-UHFFFAOYSA-N 0 0 407.449 4.441 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000435383623 860778831 /nfs/dbraw/zinc/77/88/31/860778831.db2.gz JKBIEHGTHNXPMM-HDICACEKSA-N 0 0 407.514 4.207 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1C#N ZINC000435382826 860778905 /nfs/dbraw/zinc/77/89/05/860778905.db2.gz CDVAYUBQCOTJDW-SFHVURJKSA-N 0 0 415.902 4.440 20 30 HIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000435467786 860808633 /nfs/dbraw/zinc/80/86/33/860808633.db2.gz KQZWLGWZODQYQG-ZHALLVOQSA-N 0 0 407.539 4.424 20 30 HIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000435469677 860809240 /nfs/dbraw/zinc/80/92/40/860809240.db2.gz LCLAFWUIQCRVOT-ZHALLVOQSA-N 0 0 407.539 4.281 20 30 HIEDRN C[C@@]1(CCc2ccccc2)CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 ZINC000435470845 860810133 /nfs/dbraw/zinc/81/01/33/860810133.db2.gz DZOUYECJRMLIMD-RUZDIDTESA-N 0 0 419.525 4.179 20 30 HIEDRN Cc1ccc([C@H](NCc2ccc(F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467766734 881583564 /nfs/dbraw/zinc/58/35/64/881583564.db2.gz DVPHGHNYWWIHNF-QHCPKHFHSA-N 0 0 408.498 4.289 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000435497421 860823052 /nfs/dbraw/zinc/82/30/52/860823052.db2.gz PFZYWNBKUSZDRP-UHFFFAOYSA-N 0 0 420.296 4.249 20 30 HIEDRN CCCC[C@H](NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)c1ccc(OC)cc1 ZINC000435502506 860825441 /nfs/dbraw/zinc/82/54/41/860825441.db2.gz VMVWYRFGUCBXIM-NRFANRHFSA-N 0 0 423.513 4.340 20 30 HIEDRN COc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1[N+](=O)[O-] ZINC000435539936 860853265 /nfs/dbraw/zinc/85/32/65/860853265.db2.gz NILOXCDSIXTELD-UHFFFAOYSA-N 0 0 403.394 4.306 20 30 HIEDRN COc1ccc(CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1OC(F)F ZINC000435540168 860853303 /nfs/dbraw/zinc/85/33/03/860853303.db2.gz AJEFKTLEEATLQW-UHFFFAOYSA-N 0 0 419.428 4.320 20 30 HIEDRN COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000435543503 860857088 /nfs/dbraw/zinc/85/70/88/860857088.db2.gz WBBRGTMPIRFPFB-QGZVFWFLSA-N 0 0 408.502 4.002 20 30 HIEDRN COc1cc(NC(C)=O)ccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000435543927 860858547 /nfs/dbraw/zinc/85/85/47/860858547.db2.gz NJUMMQRAXUBNLC-UHFFFAOYSA-N 0 0 422.485 4.037 20 30 HIEDRN CCN(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000435544460 860858560 /nfs/dbraw/zinc/85/85/60/860858560.db2.gz POLUXRJERNFEIX-FQEVSTJZSA-N 0 0 406.486 4.005 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(Cl)c2F)cc1 ZINC000435551985 860868319 /nfs/dbraw/zinc/86/83/19/860868319.db2.gz OYAYEHYPSDIMJL-UHFFFAOYSA-N 0 0 411.658 4.410 20 30 HIEDRN COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000435552987 860870317 /nfs/dbraw/zinc/87/03/17/860870317.db2.gz ZDISBAHSQMEYAY-SFHVURJKSA-N 0 0 422.529 4.265 20 30 HIEDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435554683 860873696 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406.244 4.306 20 30 HIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000435686130 860967581 /nfs/dbraw/zinc/96/75/81/860967581.db2.gz QVOXTHDBWAYJAG-SSEXGKCCSA-N 0 0 420.490 4.278 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccccc1 ZINC000435732300 861015641 /nfs/dbraw/zinc/01/56/41/861015641.db2.gz PPNPKNKGCWLWRB-IBGZPJMESA-N 0 0 408.889 4.288 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2)c1ccccc1 ZINC000435733423 861015868 /nfs/dbraw/zinc/01/58/68/861015868.db2.gz VJKRHZMEWHXFOF-LPHOPBHVSA-N 0 0 408.498 4.171 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1 ZINC000435735176 861017222 /nfs/dbraw/zinc/01/72/22/861017222.db2.gz KHEAMNXVTNRVEJ-HXUWFJFHSA-N 0 0 402.454 4.031 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)c1ccccc1 ZINC000435741293 861022423 /nfs/dbraw/zinc/02/24/23/861022423.db2.gz IQGFUHNKARDHEE-NHCUHLMSSA-N 0 0 422.525 4.315 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(OCC(F)F)c1)c1ccccc1 ZINC000435743982 861026094 /nfs/dbraw/zinc/02/60/94/861026094.db2.gz UZUATIDBSDBCNQ-GOSISDBHSA-N 0 0 402.441 4.401 20 30 HIEDRN Cc1cc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)ccc1C#N ZINC000435747966 861028043 /nfs/dbraw/zinc/02/80/43/861028043.db2.gz LVCJCSODFJTDAN-UHFFFAOYSA-N 0 0 405.479 4.228 20 30 HIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc(NC(=O)CC)ccc1Cl)c1ccccc1 ZINC000435751260 861030740 /nfs/dbraw/zinc/03/07/40/861030740.db2.gz QMULWPIJOHRTHX-SFHVURJKSA-N 0 0 413.905 4.451 20 30 HIEDRN C=CCC[C@H](NC(=O)N[C@@H](C)c1ccccc1NS(C)(=O)=O)c1ccccc1 ZINC000435757386 861035272 /nfs/dbraw/zinc/03/52/72/861035272.db2.gz ABAWNKXBKAKQEZ-LPHOPBHVSA-N 0 0 401.532 4.126 20 30 HIEDRN C=CCC[C@@H](NC(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 ZINC000435760483 861039962 /nfs/dbraw/zinc/03/99/62/861039962.db2.gz CDYVXFPUUZELNF-DYESRHJHSA-N 0 0 415.559 4.005 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000435762492 861041327 /nfs/dbraw/zinc/04/13/27/861041327.db2.gz IXCQFZGZDBFYAK-SFTDATJTSA-N 0 0 410.493 4.439 20 30 HIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)cc1C#N ZINC000435849650 861109997 /nfs/dbraw/zinc/10/99/97/861109997.db2.gz ZDCCZMMTXNLEAE-HXUWFJFHSA-N 0 0 415.440 4.076 20 30 HIEDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000435905522 861165045 /nfs/dbraw/zinc/16/50/45/861165045.db2.gz BGPNFKBDARKAGO-FQEVSTJZSA-N 0 0 404.432 4.040 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCOc1ncccc1F ZINC000437750925 863074849 /nfs/dbraw/zinc/07/48/49/863074849.db2.gz PWFDGSRXBWLEFV-UHFFFAOYSA-N 0 0 420.444 4.180 20 30 HIEDRN N#Cc1cccc(CNC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 ZINC000467804695 881627285 /nfs/dbraw/zinc/62/72/85/881627285.db2.gz ICYSVLQQTNBEIM-IBGZPJMESA-N 0 0 402.523 4.287 20 30 HIEDRN C[C@@H]1CCC[C@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000437797656 863116516 /nfs/dbraw/zinc/11/65/16/863116516.db2.gz IOKLZHYPYIJCTF-KGLIPLIRSA-N 0 0 401.561 4.744 20 30 HIEDRN CC1(C)CCC(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000437809758 863134234 /nfs/dbraw/zinc/13/42/34/863134234.db2.gz JCTKKZLRJZQMOH-UHFFFAOYSA-N 0 0 401.561 4.792 20 30 HIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)NC2(c3cccc(F)c3)CCOCC2)c1 ZINC000437960709 863332118 /nfs/dbraw/zinc/33/21/18/863332118.db2.gz ZLBSKTLQJFURQU-UHFFFAOYSA-N 0 0 405.376 4.126 20 30 HIEDRN CN(Cc1nccn1Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000437981893 863348161 /nfs/dbraw/zinc/34/81/61/863348161.db2.gz CTEFTPQUBGJVFP-UHFFFAOYSA-N 0 0 411.412 4.068 20 30 HIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000437992311 863354676 /nfs/dbraw/zinc/35/46/76/863354676.db2.gz ZVFMWGDIVJCUHU-FYYLOGMGSA-N 0 0 407.489 4.390 20 30 HIEDRN COC(=O)CSCc1cccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437993299 863356220 /nfs/dbraw/zinc/35/62/20/863356220.db2.gz MYWHPPJJOWIDLQ-RTWAWAEBSA-N 0 0 423.538 4.396 20 30 HIEDRN CCO[C@H](C)c1noc(CN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000438031519 863392249 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C=CCOc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1 ZINC000438672630 864131602 /nfs/dbraw/zinc/13/16/02/864131602.db2.gz RDXZSBVVQCNMLJ-UHFFFAOYSA-N 0 0 412.449 4.168 20 30 HIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC2(CCCC2)C1 ZINC000438678252 864139385 /nfs/dbraw/zinc/13/93/85/864139385.db2.gz IXSBJVQYVRLBLQ-UHFFFAOYSA-N 0 0 421.335 4.281 20 30 HIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3ccc(C#N)cc3F)c2)C1 ZINC000438731715 864216080 /nfs/dbraw/zinc/21/60/80/864216080.db2.gz UGYVUNRXLTZDIB-DNVCBOLYSA-N 0 0 409.461 4.370 20 30 HIEDRN CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467881067 881741644 /nfs/dbraw/zinc/74/16/44/881741644.db2.gz WRJDXKYKAABOOC-UHFFFAOYSA-N 0 0 421.884 4.407 20 30 HIEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000438753042 864243786 /nfs/dbraw/zinc/24/37/86/864243786.db2.gz MOUAHGLHGDBDSK-UHFFFAOYSA-N 0 0 408.310 4.412 20 30 HIEDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000438758944 864252499 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C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cccc(C#N)c1 ZINC000439058080 864509540 /nfs/dbraw/zinc/50/95/40/864509540.db2.gz MLNBSOVGIIRDMH-UHFFFAOYSA-N 0 0 408.458 4.029 20 30 HIEDRN N#CCCN(Cc1cccnc1)C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439104749 864542127 /nfs/dbraw/zinc/54/21/27/864542127.db2.gz ASWNCUJCSNAVMJ-UHFFFAOYSA-N 0 0 403.404 4.245 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000439111876 864548298 /nfs/dbraw/zinc/54/82/98/864548298.db2.gz IBOPVXZFRZIING-UHFFFAOYSA-N 0 0 418.415 4.462 20 30 HIEDRN N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000439135922 864568235 /nfs/dbraw/zinc/56/82/35/864568235.db2.gz FBNKVYJGBHDYMQ-HOFKKMOUSA-N 0 0 422.532 4.049 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)C(C)(C)c1ccccc1 ZINC000439167549 864596604 /nfs/dbraw/zinc/59/66/04/864596604.db2.gz LJLVCZWIPKJMAI-OAHLLOKOSA-N 0 0 418.522 4.103 20 30 HIEDRN Cn1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c(C(F)(F)F)n1 ZINC000439186805 864614686 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C=CCN(Cc1cc(Br)ccc1F)c1nnc([C@@H]2OCC[C@@H]2C)n1CC ZINC000460190813 872760827 /nfs/dbraw/zinc/76/08/27/872760827.db2.gz FOMNKWQMGBHNAV-SUMWQHHRSA-N 0 0 423.330 4.490 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000460232179 872819049 /nfs/dbraw/zinc/81/90/49/872819049.db2.gz TUNIENHKILEFPR-UHFFFAOYSA-N 0 0 416.312 4.142 20 30 HIEDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)c(C)n1)CCO2 ZINC000460257089 872846110 /nfs/dbraw/zinc/84/61/10/872846110.db2.gz YUSWKQPLDCMYFF-QHCPKHFHSA-N 0 0 413.477 4.437 20 30 HIEDRN Cc1ccccc1COc1cccc(CC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000460261410 872849962 /nfs/dbraw/zinc/84/99/62/872849962.db2.gz KDBYIPDVZIJCOE-UHFFFAOYSA-N 0 0 400.478 4.183 20 30 HIEDRN Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1NC(=O)c1ccccc1F ZINC000460275098 872863575 /nfs/dbraw/zinc/86/35/75/872863575.db2.gz KEIZTKUOAYZPQI-UHFFFAOYSA-N 0 0 417.440 4.067 20 30 HIEDRN CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000460290440 872880498 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873002633 /nfs/dbraw/zinc/00/26/33/873002633.db2.gz DMQORLJSSKSHRF-XLIONFOSSA-N 0 0 420.561 4.437 20 30 HIEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1c1ccsc1 ZINC000460369641 873004726 /nfs/dbraw/zinc/00/47/26/873004726.db2.gz MGLWNWQCALMLMA-INIZCTEOSA-N 0 0 413.572 4.249 20 30 HIEDRN C=C(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)C[C@@H]1C ZINC000460371140 873006060 /nfs/dbraw/zinc/00/60/60/873006060.db2.gz ONIGPEYUTAXFRT-IRXDYDNUSA-N 0 0 406.534 4.047 20 30 HIEDRN C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N(C)Cc1cccc(C)n1 ZINC000460370976 873006079 /nfs/dbraw/zinc/00/60/79/873006079.db2.gz SNOHALNTUHXHIT-UHFFFAOYSA-N 0 0 402.546 4.147 20 30 HIEDRN C=CC[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2CC(=C)C)CCCC1(C)C ZINC000460371427 873007980 /nfs/dbraw/zinc/00/79/80/873007980.db2.gz BBROCWNCZKUVSD-GOSISDBHSA-N 0 0 413.591 4.417 20 30 HIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC000460374124 873012462 /nfs/dbraw/zinc/01/24/62/873012462.db2.gz VQOQHVHBZOYKOA-IMSXRSKXSA-N 0 0 410.562 4.495 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC000460374564 873012610 /nfs/dbraw/zinc/01/26/10/873012610.db2.gz LRRSNRWUXMKSQG-UHFFFAOYSA-N 0 0 409.921 4.207 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000460374945 873012874 /nfs/dbraw/zinc/01/28/74/873012874.db2.gz NJRJGYRXADQBOZ-NRFANRHFSA-N 0 0 413.525 4.374 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC000460376065 873014000 /nfs/dbraw/zinc/01/40/00/873014000.db2.gz RDFVREKLODPTLB-GOSISDBHSA-N 0 0 403.530 4.383 20 30 HIEDRN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](SCC)C1 ZINC000460384409 873026878 /nfs/dbraw/zinc/02/68/78/873026878.db2.gz IZBKSJAXDAGETG-FQEVSTJZSA-N 0 0 411.575 4.417 20 30 HIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000460386541 873031222 /nfs/dbraw/zinc/03/12/22/873031222.db2.gz KRQINDMYVQIESP-IIBYNOLFSA-N 0 0 408.525 4.442 20 30 HIEDRN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCCCC[C@@H]1C 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CCOCCCn1c(-c2ccc(C)o2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460738475 873562556 /nfs/dbraw/zinc/56/25/56/873562556.db2.gz UMXKTWLHLMUJJY-UHFFFAOYSA-N 0 0 405.502 4.314 20 30 HIEDRN COCC1(C#N)CCN(c2nnc(C34CC5CC(CC(C5)C3)C4)n2CC(C)C)CC1 ZINC000460745324 873578192 /nfs/dbraw/zinc/57/81/92/873578192.db2.gz AZUPNHZOAYLQEM-UHFFFAOYSA-N 0 0 411.594 4.158 20 30 HIEDRN C=C(C)Cn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC000460766933 873610957 /nfs/dbraw/zinc/61/09/57/873610957.db2.gz HPPSWQKCBPKRBM-UHFFFAOYSA-N 0 0 415.969 4.158 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC000460768419 873612873 /nfs/dbraw/zinc/61/28/73/873612873.db2.gz FJXVYPGVMCBLNW-FQEVSTJZSA-N 0 0 403.486 4.474 20 30 HIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCO[C@@H](C)C1 ZINC000460768974 873615395 /nfs/dbraw/zinc/61/53/95/873615395.db2.gz HWRUBXLLXGXPCY-ZDUSSCGKSA-N 0 0 409.303 4.038 20 30 HIEDRN C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000460770743 873618236 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C=C(C)CN(CC)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)n1C[C@H]1CCCCO1 ZINC000461853450 874997896 /nfs/dbraw/zinc/99/78/96/874997896.db2.gz PWOZGHORJJTUPT-BHIFYINESA-N 0 0 410.562 4.495 20 30 HIEDRN C[C@@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000461854407 874999517 /nfs/dbraw/zinc/99/95/17/874999517.db2.gz MSPHACVGCFRJMT-PXNSSMCTSA-N 0 0 421.501 4.088 20 30 HIEDRN CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCCO1 ZINC000461854120 874999627 /nfs/dbraw/zinc/99/96/27/874999627.db2.gz PFBFUQFLASWHMQ-OAQYLSRUSA-N 0 0 407.562 4.476 20 30 HIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCCCO1 ZINC000461856632 875002241 /nfs/dbraw/zinc/00/22/41/875002241.db2.gz SOGYWRSIEDNAGC-WMLDXEAASA-N 0 0 418.339 4.015 20 30 HIEDRN N#Cc1cccc(-c2nnc(N3CCc4cc(F)ccc4C3)n2C[C@H]2CCCCO2)c1 ZINC000461856756 875003081 /nfs/dbraw/zinc/00/30/81/875003081.db2.gz UODLWGDTUPYRKD-JOCHJYFZSA-N 0 0 417.488 4.088 20 30 HIEDRN CO[C@]1(C)C[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1(C)C ZINC000461859992 875008236 /nfs/dbraw/zinc/00/82/36/875008236.db2.gz YCXSCQWSHBBPMP-DCLXLUIPSA-N 0 0 423.561 4.026 20 30 HIEDRN C[C@@H]1C[C@H](C)[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 ZINC000461873804 875025618 /nfs/dbraw/zinc/02/56/18/875025618.db2.gz XPJQNVLTHWCZHD-GHDARCQNSA-N 0 0 423.561 4.169 20 30 HIEDRN O=C(NCc1ncc(-c2ccccc2)cn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000461885293 875036424 /nfs/dbraw/zinc/03/64/24/875036424.db2.gz UOZABFRINYGSSM-UHFFFAOYSA-N 0 0 405.461 4.260 20 30 HIEDRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461892729 875040208 /nfs/dbraw/zinc/04/02/08/875040208.db2.gz YUZZOVORDIYEGM-UHFFFAOYSA-N 0 0 401.470 4.298 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)c(NC(=O)c2ccncc2)c(Cl)c1 ZINC000461912785 875054885 /nfs/dbraw/zinc/05/48/85/875054885.db2.gz DERBGTDVWRASSA-BLLLJJGKSA-N 0 0 418.284 4.454 20 30 HIEDRN C[C@@H](C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(C#N)c1 ZINC000461920544 875061729 /nfs/dbraw/zinc/06/17/29/875061729.db2.gz SJLWRCWGNSCIDW-MRXNPFEDSA-N 0 0 401.441 4.370 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000461930769 875067593 /nfs/dbraw/zinc/06/75/93/875067593.db2.gz DVDRYAMKMZLNAN-SWLSCSKDSA-N 0 0 405.321 4.310 20 30 HIEDRN Cc1nc(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(Cl)cc1C#N ZINC000461942090 875075710 /nfs/dbraw/zinc/07/57/10/875075710.db2.gz RDXQQHUTBCOTFO-MRXNPFEDSA-N 0 0 420.904 4.275 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000461953216 875084282 /nfs/dbraw/zinc/08/42/82/875084282.db2.gz AFNPXNBYEXWUDP-NOZJJQNGSA-N 0 0 421.122 4.126 20 30 HIEDRN N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000461957314 875085286 /nfs/dbraw/zinc/08/52/86/875085286.db2.gz JYOHXOBZRMQDQO-GDBMZVCRSA-N 0 0 404.392 4.384 20 30 HIEDRN Cc1nc(N2CCN(C(=O)c3cc4sccc4s3)CC2)c(Cl)cc1C#N ZINC000461962307 875088600 /nfs/dbraw/zinc/08/86/00/875088600.db2.gz WQVSIXRCNFNZNO-UHFFFAOYSA-N 0 0 402.932 4.154 20 30 HIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000461982738 875101661 /nfs/dbraw/zinc/10/16/61/875101661.db2.gz PJEWKDDKGSDIPW-BLLLJJGKSA-N 0 0 401.264 4.450 20 30 HIEDRN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000461994759 875116064 /nfs/dbraw/zinc/11/60/64/875116064.db2.gz XZGLRZHDIAWXIK-SJORKVTESA-N 0 0 408.454 4.277 20 30 HIEDRN COc1ccc2oc([C@H](C)NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c(C)c2c1 ZINC000461997833 875119071 /nfs/dbraw/zinc/11/90/71/875119071.db2.gz PATOTJVPQRBBMR-HNNXBMFYSA-N 0 0 405.454 4.155 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000462016126 875133850 /nfs/dbraw/zinc/13/38/50/875133850.db2.gz PWQMQKCPFKVSPX-LJQANCHMSA-N 0 0 420.492 4.886 20 30 HIEDRN C[C@H](C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1cccc(C#N)c1 ZINC000462021063 875137561 /nfs/dbraw/zinc/13/75/61/875137561.db2.gz BBUYDDGRINWTLA-KXBFYZLASA-N 0 0 404.445 4.257 20 30 HIEDRN C[C@H](C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1cccc(C#N)c1 ZINC000462029310 875143726 /nfs/dbraw/zinc/14/37/26/875143726.db2.gz SRBFDIGJRIDGNP-INIZCTEOSA-N 0 0 420.490 4.496 20 30 HIEDRN C[C@@H](C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1cccc(C#N)c1 ZINC000462029311 875144063 /nfs/dbraw/zinc/14/40/63/875144063.db2.gz SRBFDIGJRIDGNP-MRXNPFEDSA-N 0 0 420.490 4.496 20 30 HIEDRN C[C@H](C(=O)Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1cccc(C#N)c1 ZINC000462027819 875144330 /nfs/dbraw/zinc/14/43/30/875144330.db2.gz NZOFPMCLYNDIAE-NSHDSACASA-N 0 0 413.250 4.592 20 30 HIEDRN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H](C)c3cccc(C#N)c3)ccc21 ZINC000462033548 875148920 /nfs/dbraw/zinc/14/89/20/875148920.db2.gz OLXWIDYIPXIDPL-KRWDZBQOSA-N 0 0 402.498 4.124 20 30 HIEDRN N#Cc1ccc(F)cc1CN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000468870083 882900487 /nfs/dbraw/zinc/90/04/87/882900487.db2.gz GNQHISGKPZLTKA-UHFFFAOYSA-N 0 0 410.493 4.278 20 30 HIEDRN N#CCCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000462044456 875156697 /nfs/dbraw/zinc/15/66/97/875156697.db2.gz AMDQFCSRYGTUMH-UHFFFAOYSA-N 0 0 400.276 4.011 20 30 HIEDRN Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462074607 875185269 /nfs/dbraw/zinc/18/52/69/875185269.db2.gz ILYYGHDVIFOZLQ-UHFFFAOYSA-N 0 0 404.474 4.407 20 30 HIEDRN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000462080242 875190540 /nfs/dbraw/zinc/19/05/40/875190540.db2.gz SMXJDJVVKVEKIP-UHFFFAOYSA-N 0 0 423.307 4.028 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCC2(c3cccc(Cl)c3)CCCC2)cn1 ZINC000462082976 875191567 /nfs/dbraw/zinc/19/15/67/875191567.db2.gz IQBPAOOKMUBBPM-UHFFFAOYSA-N 0 0 420.904 4.426 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)Nc2ccc(COC3CCCC3)cc2)cn1 ZINC000462086160 875195141 /nfs/dbraw/zinc/19/51/41/875195141.db2.gz WMIRHMWLJNARTG-UHFFFAOYSA-N 0 0 402.458 4.242 20 30 HIEDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1cnn(-c3ncccc3C#N)c1)CCC2 ZINC000462085861 875195215 /nfs/dbraw/zinc/19/52/15/875195215.db2.gz TYZQWHZGNWLKNH-OAQYLSRUSA-N 0 0 400.486 4.461 20 30 HIEDRN C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1C(F)(F)F ZINC000462089881 875198222 /nfs/dbraw/zinc/19/82/22/875198222.db2.gz NBZKDKFKQVBDRE-GFCCVEGCSA-N 0 0 400.364 4.040 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(OC3CCCCC3)cc2)cn1 ZINC000462089440 875198472 /nfs/dbraw/zinc/19/84/72/875198472.db2.gz MHQXOEBHDYCNJL-UHFFFAOYSA-N 0 0 416.485 4.172 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)N(CCc2ccccc2)C2CCCC2)cn1 ZINC000462089896 875199572 /nfs/dbraw/zinc/19/95/72/875199572.db2.gz NFHDCVULDMNAKI-UHFFFAOYSA-N 0 0 400.486 4.158 20 30 HIEDRN CC(C)(C)[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1F ZINC000462090768 875199691 /nfs/dbraw/zinc/19/96/91/875199691.db2.gz GYKKQSWKSRTFFJ-GOSISDBHSA-N 0 0 410.428 4.326 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000462090212 875200129 /nfs/dbraw/zinc/20/01/29/875200129.db2.gz DKWRFKBVXIVRFB-MRXNPFEDSA-N 0 0 420.542 4.831 20 30 HIEDRN COc1ccccc1[C@H](CC(C)C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462091442 875201475 /nfs/dbraw/zinc/20/14/75/875201475.db2.gz MYCRPJCYJPPZIL-IBGZPJMESA-N 0 0 404.474 4.056 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000462094202 875204293 /nfs/dbraw/zinc/20/42/93/875204293.db2.gz UZWQLNFUNXHSDI-LBPRGKRZSA-N 0 0 415.284 4.637 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000462095777 875205207 /nfs/dbraw/zinc/20/52/07/875205207.db2.gz FZPUHGMZMCSCOU-GOSISDBHSA-N 0 0 414.513 4.843 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(Oc3ccccc3)cc2)cn1 ZINC000462100979 875209624 /nfs/dbraw/zinc/20/96/24/875209624.db2.gz XEUBNPOPOLATLP-UHFFFAOYSA-N 0 0 410.437 4.253 20 30 HIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000462111017 875216369 /nfs/dbraw/zinc/21/63/69/875216369.db2.gz XDTYXYXZHALWBI-INIZCTEOSA-N 0 0 402.502 4.628 20 30 HIEDRN CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000462142647 875241669 /nfs/dbraw/zinc/24/16/69/875241669.db2.gz WJYTVLQSKYBBKX-CYBMUJFWSA-N 0 0 415.287 4.331 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1F ZINC000462179951 875278579 /nfs/dbraw/zinc/27/85/79/875278579.db2.gz GABYHVRTIBOJFQ-MRXNPFEDSA-N 0 0 407.367 4.455 20 30 HIEDRN COc1cccc([C@H](NCC(=O)NCc2cccc(C#N)c2)c2ccccc2Cl)c1 ZINC000462233593 875345632 /nfs/dbraw/zinc/34/56/32/875345632.db2.gz DIGRXVJILRAKPX-DEOSSOPVSA-N 0 0 419.912 4.216 20 30 HIEDRN C[C@@H](C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc(C#N)c1 ZINC000462260460 875383593 /nfs/dbraw/zinc/38/35/93/875383593.db2.gz OYGLXFKNJPJCPS-GFCCVEGCSA-N 0 0 411.811 4.314 20 30 HIEDRN COc1cc(CNC(=O)CCCC#N)cc(Br)c1OCc1ccccc1 ZINC000462263821 875388508 /nfs/dbraw/zinc/38/85/08/875388508.db2.gz QJZJTRVMHRGWEG-UHFFFAOYSA-N 0 0 417.303 4.347 20 30 HIEDRN C[C@H](C(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C)c1cccc(C#N)c1 ZINC000462273978 875401664 /nfs/dbraw/zinc/40/16/64/875401664.db2.gz CGQXQYCINGBSOH-AUSJPIAWSA-N 0 0 413.315 4.413 20 30 HIEDRN C[C@H](C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462281591 875407811 /nfs/dbraw/zinc/40/78/11/875407811.db2.gz UKNSGIJJRYHTGW-AWEZNQCLSA-N 0 0 414.387 4.444 20 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420.509 4.331 20 30 HIEDRN Cc1cc(CCNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1Cl ZINC000463854666 876974695 /nfs/dbraw/zinc/97/46/95/876974695.db2.gz ALOGHJGCRRDHAH-OAHLLOKOSA-N 0 0 415.946 4.340 20 30 HIEDRN Cc1cc(CCNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1Cl ZINC000463854665 876975219 /nfs/dbraw/zinc/97/52/19/876975219.db2.gz ALOGHJGCRRDHAH-HNNXBMFYSA-N 0 0 415.946 4.340 20 30 HIEDRN CCOc1ccc([C@H](NS(=O)(=O)CC2(C#N)CC2)c2cccc(Cl)c2)cc1 ZINC000463856362 876978189 /nfs/dbraw/zinc/97/81/89/876978189.db2.gz FLRKABXUVBSGRI-IBGZPJMESA-N 0 0 404.919 4.051 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1 ZINC000463886346 877008205 /nfs/dbraw/zinc/00/82/05/877008205.db2.gz FJWASZHUCWPOFP-UHFFFAOYSA-N 0 0 403.251 4.143 20 30 HIEDRN Cc1ccc(C(=O)N[C@H](CC(=O)NCc2cc(C#N)ccc2F)c2ccccc2)cc1 ZINC000464042933 877181858 /nfs/dbraw/zinc/18/18/58/877181858.db2.gz DGIXNBCECDQMBR-HSZRJFAPSA-N 0 0 415.468 4.183 20 30 HIEDRN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000464043766 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404.445 4.060 20 30 HIEDRN Cc1oc2ccccc2c1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000464134589 877294800 /nfs/dbraw/zinc/29/48/00/877294800.db2.gz VOJJEVILRPEFDB-UHFFFAOYSA-N 0 0 403.482 4.408 20 30 HIEDRN CC(C)(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000464170365 877337253 /nfs/dbraw/zinc/33/72/53/877337253.db2.gz PLHWYSGZUWYMCI-JOCHJYFZSA-N 0 0 423.542 4.123 20 30 HIEDRN CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000464171715 877338936 /nfs/dbraw/zinc/33/89/36/877338936.db2.gz WMMHDBOMKQAGNZ-QFIPXVFZSA-N 0 0 409.873 4.199 20 30 HIEDRN COCCOCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000464181057 877351370 /nfs/dbraw/zinc/35/13/70/877351370.db2.gz DBWKMQBYABQTFK-FQEVSTJZSA-N 0 0 422.506 4.472 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000464202147 877372625 /nfs/dbraw/zinc/37/26/25/877372625.db2.gz YFEFJFLJYAKEDC-ZDUSSCGKSA-N 0 0 412.433 4.058 20 30 HIEDRN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F 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402.416 4.199 20 30 HIEDRN C[C@H](C(=O)N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cccc(C#N)c1 ZINC000464574982 877797157 /nfs/dbraw/zinc/79/71/57/877797157.db2.gz LODACSXMNSXQOW-YCRPNKLZSA-N 0 0 402.416 4.199 20 30 HIEDRN N#Cc1c(NC(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)sc2c1CCCCC2 ZINC000464600636 877828850 /nfs/dbraw/zinc/82/88/50/877828850.db2.gz FGQYRRIWPHIQPP-CQSZACIVSA-N 0 0 405.523 4.407 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCCC[C@H]3C(F)(F)F)C2)n1 ZINC000464602658 877832187 /nfs/dbraw/zinc/83/21/87/877832187.db2.gz MNTLUOHJHKBUTK-KSZLIROESA-N 0 0 408.468 4.058 20 30 HIEDRN C[C@H](c1nccs1)N1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000464623241 877842113 /nfs/dbraw/zinc/84/21/13/877842113.db2.gz YBDPJAMUUXBPSI-LJQANCHMSA-N 0 0 416.550 4.454 20 30 HIEDRN C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)Oc1ccc(Br)cc1 ZINC000464625932 877842971 /nfs/dbraw/zinc/84/29/71/877842971.db2.gz CWWSWLMFEIIPBD-CQSZACIVSA-N 0 0 419.344 4.138 20 30 HIEDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000464628367 877845860 /nfs/dbraw/zinc/84/58/60/877845860.db2.gz YFLKUGLGYHVLFA-AWEZNQCLSA-N 0 0 413.591 4.438 20 30 HIEDRN C=CCOc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)cc1OC ZINC000464629187 877845978 /nfs/dbraw/zinc/84/59/78/877845978.db2.gz JVLXZDOBQCPZIH-CQSZACIVSA-N 0 0 420.303 4.220 20 30 HIEDRN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1OC ZINC000464641042 877859488 /nfs/dbraw/zinc/85/94/88/877859488.db2.gz AGPFDXKRTHYPMA-AUSIDOKSSA-N 0 0 423.488 4.424 20 30 HIEDRN N#Cc1ccc(NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)cc1F ZINC000464647099 877867662 /nfs/dbraw/zinc/86/76/62/877867662.db2.gz IZPPGHVRGZKMDR-GOSISDBHSA-N 0 0 408.260 4.016 20 30 HIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCc1ccc(F)cc1Cl ZINC000503304679 912286620 /nfs/dbraw/zinc/28/66/20/912286620.db2.gz WZYHYHKXUBUHHT-ZDUSSCGKSA-N 0 0 419.909 4.171 20 30 HIEDRN Cc1nc(SCC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c(C#N)c(C)c1C ZINC000464698963 877914846 /nfs/dbraw/zinc/91/48/46/877914846.db2.gz 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20 30 HIEDRN COCCOc1ncccc1NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000464935592 878264779 /nfs/dbraw/zinc/26/47/79/878264779.db2.gz XVHVDCXGPCMRTM-UHFFFAOYSA-N 0 0 403.438 4.332 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000464938003 878269927 /nfs/dbraw/zinc/26/99/27/878269927.db2.gz GJGFCXRIDDONBE-XZOQPEGZSA-N 0 0 422.550 4.315 20 30 HIEDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)C2)cc1 ZINC000464938531 878271739 /nfs/dbraw/zinc/27/17/39/878271739.db2.gz VFGYSPVBNZRWEU-KMDXXIMOSA-N 0 0 415.537 4.146 20 30 HIEDRN Cc1cc(C(=O)N2CCC(Cc3ccccc3F)CC2)nn1-c1cccc(C#N)c1 ZINC000503356054 912329633 /nfs/dbraw/zinc/32/96/33/912329633.db2.gz ZPOWQWMWHJGHRL-UHFFFAOYSA-N 0 0 402.473 4.286 20 30 HIEDRN N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000464947429 878283800 /nfs/dbraw/zinc/28/38/00/878283800.db2.gz DUQXNHPLLDFUMS-GOTSBHOMSA-N 0 0 414.509 4.012 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CSc1ccc(C(F)(F)F)cn1 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PMRLLEKYKTUZAN-QHCPKHFHSA-N 0 0 405.498 4.353 20 30 HIEDRN CN(CCOCc1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000465111874 878488891 /nfs/dbraw/zinc/48/88/91/878488891.db2.gz NVUSCKCNQPGZCR-UHFFFAOYSA-N 0 0 400.478 4.426 20 30 HIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCO[C@@H]2CCOC2)cc1Cl ZINC000465155976 878537681 /nfs/dbraw/zinc/53/76/81/878537681.db2.gz NNZRDOLDQLTGCR-QUCCMNQESA-N 0 0 413.905 4.313 20 30 HIEDRN CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(OCC)c1OC(F)F ZINC000465164647 878547192 /nfs/dbraw/zinc/54/71/92/878547192.db2.gz JQSJATCQPFHNGE-UHFFFAOYSA-N 0 0 405.401 4.279 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCc2c(F)cccc2OC(F)F)o1 ZINC000465198281 878602046 /nfs/dbraw/zinc/60/20/46/878602046.db2.gz XEGSLPMINSDDPO-UHFFFAOYSA-N 0 0 416.355 4.401 20 30 HIEDRN CC[C@@H](C)Sc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)c1 ZINC000465247802 878669952 /nfs/dbraw/zinc/66/99/52/878669952.db2.gz CGBYBNZMDHJNAR-IAGOWNOFSA-N 0 0 424.574 4.290 20 30 HIEDRN COc1ccc(OC(F)F)c(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000465253709 878679530 /nfs/dbraw/zinc/67/95/30/878679530.db2.gz CUIUBZVNJHCYIH-UHFFFAOYSA-N 0 0 423.419 4.413 20 30 HIEDRN C=C[C@@H](C)NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000465263855 878692228 /nfs/dbraw/zinc/69/22/28/878692228.db2.gz VIUNBDLDDVYSGX-CYBMUJFWSA-N 0 0 402.292 4.075 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3nc4c(ccc(F)c4C)s3)C2)n1 ZINC000465273728 878705741 /nfs/dbraw/zinc/70/57/41/878705741.db2.gz FBJJXKHLSXGMGT-OAHLLOKOSA-N 0 0 409.490 4.174 20 30 HIEDRN Cc1c2nc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)sc2ccc1F ZINC000465276025 878709959 /nfs/dbraw/zinc/70/99/59/878709959.db2.gz LEXRBELEIMYDHH-UHFFFAOYSA-N 0 0 417.487 4.074 20 30 HIEDRN CSc1cc(C)ccc1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000465297756 878740739 /nfs/dbraw/zinc/74/07/39/878740739.db2.gz UPTHGFNUFQAYJZ-HNNXBMFYSA-N 0 0 413.568 4.224 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503410694 912394295 /nfs/dbraw/zinc/39/42/95/912394295.db2.gz YGMWNXWTZVLOEI-SFHVURJKSA-N 0 0 410.587 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C=CCc1cc(CNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000465818479 879444250 /nfs/dbraw/zinc/44/42/50/879444250.db2.gz URXJBAVKVANOBH-IFMALSPDSA-N 0 0 410.514 4.009 20 30 HIEDRN CC(C)(CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000465820287 879446914 /nfs/dbraw/zinc/44/69/14/879446914.db2.gz ROFSIYASSHTTHW-SFTDATJTSA-N 0 0 419.525 4.217 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000465836472 879472479 /nfs/dbraw/zinc/47/24/79/879472479.db2.gz KJJZKUQEGZZVLU-AZUAARDMSA-N 0 0 408.571 4.436 20 30 HIEDRN COc1cccc(N2CC[C@H](CNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)C2)c1 ZINC000465850029 879493392 /nfs/dbraw/zinc/49/33/92/879493392.db2.gz ZRJBREDUPAQOLC-YGOYIFOWSA-N 0 0 418.541 4.003 20 30 HIEDRN COc1ccccc1O[C@H](C)CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000465868085 879518221 /nfs/dbraw/zinc/51/82/21/879518221.db2.gz DOAJFFXYWZNHEH-QHGAOEGBSA-N 0 0 423.513 4.024 20 30 HIEDRN COc1ccc(C(C)(C)CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1OC ZINC000465870969 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HIEDRN CC(C)C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000465970800 879639436 /nfs/dbraw/zinc/63/94/36/879639436.db2.gz VQFNCQPOGTXNPQ-FQEVSTJZSA-N 0 0 411.937 4.226 20 30 HIEDRN COc1cccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)C2)c1 ZINC000465990840 879664965 /nfs/dbraw/zinc/66/49/65/879664965.db2.gz YILYYCRUIUMUKA-NKKJXINNSA-N 0 0 418.541 4.145 20 30 HIEDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000466010696 879690384 /nfs/dbraw/zinc/69/03/84/879690384.db2.gz NTFBTVRQGTVULC-UHFFFAOYSA-N 0 0 402.498 4.125 20 30 HIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000466022504 879708776 /nfs/dbraw/zinc/70/87/76/879708776.db2.gz XNYFUUQDWNLNIU-OALUTQOASA-N 0 0 421.888 4.371 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000466032104 879720215 /nfs/dbraw/zinc/72/02/15/879720215.db2.gz FFGQNPDIRNFRNM-FYYLOGMGSA-N 0 0 419.525 4.400 20 30 HIEDRN N#Cc1ccc(OCCNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000466103616 879819554 /nfs/dbraw/zinc/81/95/54/879819554.db2.gz NRGFWXMEGMQCCT-HXUWFJFHSA-N 0 0 409.536 4.417 20 30 HIEDRN COc1ccc2[nH]cc(C3CCN(C(=O)NCCOc4ccc(C#N)cc4)CC3)c2c1 ZINC000466105597 879821981 /nfs/dbraw/zinc/82/19/81/879821981.db2.gz VATOECPVLVDPAZ-UHFFFAOYSA-N 0 0 418.497 4.016 20 30 HIEDRN C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000466149537 879856014 /nfs/dbraw/zinc/85/60/14/879856014.db2.gz KOKMKCUHVHQSJB-ZQMYSKGWSA-N 0 0 422.960 4.436 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000466178273 879876877 /nfs/dbraw/zinc/87/68/77/879876877.db2.gz JXGNTMCAPZATLK-WMLDXEAASA-N 0 0 403.935 4.293 20 30 HIEDRN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCc1cc(C#N)ccc1F ZINC000466194473 879886973 /nfs/dbraw/zinc/88/69/73/879886973.db2.gz MINLRDHELZDIGY-UHFFFAOYSA-N 0 0 409.440 4.001 20 30 HIEDRN C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)c2c(F)cccc2Cl)cc1 ZINC000466201659 879893412 /nfs/dbraw/zinc/89/34/12/879893412.db2.gz JJGQEXKEWMFLJJ-UHFFFAOYSA-N 0 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4.384 20 30 HIEDRN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)s2)cc1 ZINC000466416723 880187307 /nfs/dbraw/zinc/18/73/07/880187307.db2.gz LQGCTZGPYBDSKN-UHFFFAOYSA-N 0 0 405.479 4.153 20 30 HIEDRN COC[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000466442743 880218329 /nfs/dbraw/zinc/21/83/29/880218329.db2.gz WZZUXDSPMPWVCH-SFHVURJKSA-N 0 0 405.863 4.058 20 30 HIEDRN Cc1cc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)nn1-c1cccc(C#N)c1 ZINC000503499724 912548084 /nfs/dbraw/zinc/54/80/84/912548084.db2.gz HCGQPJOVTQKKFW-IBGZPJMESA-N 0 0 406.873 4.350 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000466478100 880260106 /nfs/dbraw/zinc/26/01/06/880260106.db2.gz ACDXNIKRPVRNRC-HUUCEWRRSA-N 0 0 408.449 4.186 20 30 HIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1cc(-c2cnn(C)c2C)no1 ZINC000466477176 880260130 /nfs/dbraw/zinc/26/01/30/880260130.db2.gz HQXAFUPYBZOOIL-UHFFFAOYSA-N 0 0 422.514 4.032 20 30 HIEDRN C=CC[C@H](CC)NC(=O)c1nnn(Cc2cccc(Br)c2)c1CCC ZINC000466537397 880312710 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N#CCCCOc1cccnc1NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000466599209 880368551 /nfs/dbraw/zinc/36/85/51/880368551.db2.gz KUYJAYOOHOGWRT-SFHVURJKSA-N 0 0 400.866 4.023 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000466598370 880368734 /nfs/dbraw/zinc/36/87/34/880368734.db2.gz IOOXOMJZTBPNMX-UHFFFAOYSA-N 0 0 421.432 4.412 20 30 HIEDRN CC(C)(NC(=O)Nc1ncccc1OCCCC#N)c1nc(C(F)(F)F)cs1 ZINC000466604683 880373912 /nfs/dbraw/zinc/37/39/12/880373912.db2.gz RHWNHUOCTMJWMF-UHFFFAOYSA-N 0 0 413.425 4.296 20 30 HIEDRN CC[C@](C)(COc1ncccc1Cl)NC(=O)Nc1ncccc1OCCCC#N ZINC000466610719 880380687 /nfs/dbraw/zinc/38/06/87/880380687.db2.gz RDRNHKYTRJPSFB-HXUWFJFHSA-N 0 0 417.897 4.182 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000466611089 880381871 /nfs/dbraw/zinc/38/18/71/880381871.db2.gz SBNPPVSVENRMCH-SJLPKXTDSA-N 0 0 418.856 4.208 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000466612568 880383260 /nfs/dbraw/zinc/38/32/60/880383260.db2.gz ZKIWCIAMEWJJHP-UHFFFAOYSA-N 0 0 415.291 4.337 20 30 HIEDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466614499 880385641 /nfs/dbraw/zinc/38/56/41/880385641.db2.gz SXVHPRUZRLGKBB-INIZCTEOSA-N 0 0 404.474 4.141 20 30 HIEDRN N#CCCCOc1cccnc1NC(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000466618741 880389999 /nfs/dbraw/zinc/38/99/99/880389999.db2.gz HDZVPDBNSRHVNA-UHFFFAOYSA-N 0 0 402.857 4.410 20 30 HIEDRN Cc1cc(NC(=O)c2sccc2C#N)ccc1N(C)C(=O)c1sccc1C#N ZINC000466624885 880396245 /nfs/dbraw/zinc/39/62/45/880396245.db2.gz CLJHMMIZBKBKSP-UHFFFAOYSA-N 0 0 406.492 4.390 20 30 HIEDRN Cc1sc(NC(=O)c2ccc(CC#N)cc2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000466625732 880397036 /nfs/dbraw/zinc/39/70/36/880397036.db2.gz MKJYYZGXKFPGJH-UHFFFAOYSA-N 0 0 402.479 4.322 20 30 HIEDRN CCOc1c(Cl)cc(CNC(=O)Nc2ncccc2OCCCC#N)cc1OC ZINC000466628705 880400612 /nfs/dbraw/zinc/40/06/12/880400612.db2.gz RIPXXIORTDVYGQ-UHFFFAOYSA-N 0 0 418.881 4.147 20 30 HIEDRN CC[C@H](C)n1c(SCC(=O)NCCc2cccc(C#N)c2)nnc1-c1ccccc1 ZINC000466628999 880401354 /nfs/dbraw/zinc/40/13/54/880401354.db2.gz ZVQCLXJOCPTBBY-KRWDZBQOSA-N 0 0 419.554 4.239 20 30 HIEDRN C=CCN(C(=O)Nc1cc(Cl)c(Cl)cn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000466676972 880463350 /nfs/dbraw/zinc/46/33/50/880463350.db2.gz HYQNBUHZBNEGDR-GFCCVEGCSA-N 0 0 418.288 4.145 20 30 HIEDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000466708070 880498787 /nfs/dbraw/zinc/49/87/87/880498787.db2.gz PJSCFWABUYAWPW-QHCPKHFHSA-N 0 0 410.539 4.001 20 30 HIEDRN Cc1cc(N[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nn1-c1ccccc1Cl ZINC000466746016 880526731 /nfs/dbraw/zinc/52/67/31/880526731.db2.gz NDGDNKZLJJYSKI-KRWDZBQOSA-N 0 0 407.905 4.581 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000466774801 880553806 /nfs/dbraw/zinc/55/38/06/880553806.db2.gz IKXUCMIBHMSOKB-IERDGZPVSA-N 0 0 420.513 4.351 20 30 HIEDRN CC#CCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000466781152 880559756 /nfs/dbraw/zinc/55/97/56/880559756.db2.gz 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N#Cc1cccc(CCNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 ZINC000466819518 880591922 /nfs/dbraw/zinc/59/19/22/880591922.db2.gz OMJCTZDKQSGMEM-IBGZPJMESA-N 0 0 422.287 4.330 20 30 HIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccncc1OCC(F)(F)F ZINC000466839243 880607518 /nfs/dbraw/zinc/60/75/18/880607518.db2.gz YMVITQKDDMZFBH-UHFFFAOYSA-N 0 0 406.408 4.016 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[C@H](c4ccccc4)C[C@@H]3C)C2)n1 ZINC000466882942 880650525 /nfs/dbraw/zinc/65/05/25/880650525.db2.gz OBIMFQQNYUJZEB-RRPUWOKSSA-N 0 0 402.542 4.273 20 30 HIEDRN N#Cc1cccnc1-n1cc(NC(=O)NC2(Cc3ccccc3)CCCCC2)cn1 ZINC000466914155 880682894 /nfs/dbraw/zinc/68/28/94/880682894.db2.gz YXVSTHFUTPRYAU-UHFFFAOYSA-N 0 0 400.486 4.206 20 30 HIEDRN COC(=O)[C@@H](NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cccc(C#N)c1 ZINC000467010558 880815873 /nfs/dbraw/zinc/81/58/73/880815873.db2.gz JIMUPEQJGXCJOL-MBSDFSHPSA-N 0 0 417.534 4.291 20 30 HIEDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000467100574 880862395 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422.916 4.129 20 30 HIEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)c3cncc(-c4ccccc4)c3)C2)c(F)c1 ZINC000467196514 880925265 /nfs/dbraw/zinc/92/52/65/880925265.db2.gz KSLOHIANHARYND-NRFANRHFSA-N 0 0 400.457 4.158 20 30 HIEDRN Cc1ccccc1-c1noc([C@H](C)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000467199160 880928244 /nfs/dbraw/zinc/92/82/44/880928244.db2.gz XQNRHIJCLMDULO-KRWDZBQOSA-N 0 0 415.497 4.328 20 30 HIEDRN Cc1c(=O)[nH]c(SCC(=O)N(CCC#N)c2ccccc2)nc1-c1ccccc1 ZINC000467202619 880932861 /nfs/dbraw/zinc/93/28/61/880932861.db2.gz SPSNYQTUPAVWBJ-UHFFFAOYSA-N 0 0 404.495 4.197 20 30 HIEDRN Cc1c(=O)[nH]c(SCc2nnc(-c3ccc(C#N)cc3)o2)nc1-c1ccccc1 ZINC000467215865 880945979 /nfs/dbraw/zinc/94/59/79/880945979.db2.gz UXTOSTRYXGTEJU-UHFFFAOYSA-N 0 0 401.451 4.372 20 30 HIEDRN N#Cc1ccsc1NC(=O)CCN1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000467217219 880946989 /nfs/dbraw/zinc/94/69/89/880946989.db2.gz MIRWJDXPTRBGAN-UHFFFAOYSA-N 0 0 409.342 4.077 20 30 HIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)c1ccccc1 ZINC000467235197 880962586 /nfs/dbraw/zinc/96/25/86/880962586.db2.gz JDGWRFWTIOVTBW-MRXNPFEDSA-N 0 0 423.257 4.490 20 30 HIEDRN CCN(C[C@H](C)C#N)C(=O)CNc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000467258201 880993975 /nfs/dbraw/zinc/99/39/75/880993975.db2.gz AHKUGRHEVSQETI-OAHLLOKOSA-N 0 0 412.921 4.321 20 30 HIEDRN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000467286527 881033843 /nfs/dbraw/zinc/03/38/43/881033843.db2.gz WEXJGMIUAZBUFK-RBUKOAKNSA-N 0 0 406.482 4.250 20 30 HIEDRN Cc1cc(-c2cc(C(=O)N(CCC#N)CC(F)(F)F)c3c(C)noc3n2)c(C)o1 ZINC000467319811 881068345 /nfs/dbraw/zinc/06/83/45/881068345.db2.gz NZWYHZWGCULKBI-UHFFFAOYSA-N 0 0 406.364 4.326 20 30 HIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Nc2ccc(CN3CCCC3=O)cc2)c1 ZINC000467422715 881213662 /nfs/dbraw/zinc/21/36/62/881213662.db2.gz GAJYMXVGXHCNJQ-FQEVSTJZSA-N 0 0 418.541 4.173 20 30 HIEDRN N#Cc1ccc(NC(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000467445064 881247778 /nfs/dbraw/zinc/24/77/78/881247778.db2.gz QJXXBFBVZDZGAR-HNNXBMFYSA-N 0 0 420.782 4.260 20 30 HIEDRN CC(C)c1nncn1CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000467511487 881324790 /nfs/dbraw/zinc/32/47/90/881324790.db2.gz LFWQEEBWMQVZJY-UHFFFAOYSA-N 0 0 409.877 4.149 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)CCCCc3c[nH]nn3)cc2Cl)c1 ZINC000469082523 883169954 /nfs/dbraw/zinc/16/99/54/883169954.db2.gz SUXPSPJVPKTMGV-UHFFFAOYSA-N 0 0 409.877 4.260 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)N(CC(F)(F)F)[C@H]3CCOC3)cc2)cc1 ZINC000469116492 883209341 /nfs/dbraw/zinc/20/93/41/883209341.db2.gz VLROZQUCIWVBSH-KRWDZBQOSA-N 0 0 404.388 4.338 20 30 HIEDRN CC(=O)N1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c2ccccc2C1 ZINC000469124707 883220033 /nfs/dbraw/zinc/22/00/33/883220033.db2.gz HADQCSGTTPGCHD-QHCPKHFHSA-N 0 0 416.525 4.175 20 30 HIEDRN O=C(NCC(F)(F)F)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000469139284 883234554 /nfs/dbraw/zinc/23/45/54/883234554.db2.gz XWRDGQRRRXRSLR-LLVKDONJSA-N 0 0 424.263 4.369 20 30 HIEDRN Cn1cc(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)c2ccc(Cl)cc21 ZINC000469149329 883245422 /nfs/dbraw/zinc/24/54/22/883245422.db2.gz XKVGOCITCMEFEU-UHFFFAOYSA-N 0 0 404.857 4.331 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469213599 883313524 /nfs/dbraw/zinc/31/35/24/883313524.db2.gz XTGOVNBIRZDYQG-UHFFFAOYSA-N 0 0 411.452 4.193 20 30 HIEDRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000469219163 883319803 /nfs/dbraw/zinc/31/98/03/883319803.db2.gz ZIFVPUQKBLMITC-UHFFFAOYSA-N 0 0 411.440 4.434 20 30 HIEDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000469230968 883329025 /nfs/dbraw/zinc/32/90/25/883329025.db2.gz FFGLYCCALWBFPF-FQEVSTJZSA-N 0 0 412.555 4.083 20 30 HIEDRN N#Cc1cccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccncc3)on2)c1 ZINC000469237559 883336471 /nfs/dbraw/zinc/33/64/71/883336471.db2.gz LMSOKTUIEGEALJ-UHFFFAOYSA-N 0 0 408.461 4.493 20 30 HIEDRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000469251060 883348921 /nfs/dbraw/zinc/34/89/21/883348921.db2.gz PNSBBXPSKUTVSY-LBPRGKRZSA-N 0 0 422.291 4.223 20 30 HIEDRN CN1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(Cl)cc1 ZINC000469260270 883357506 /nfs/dbraw/zinc/35/75/06/883357506.db2.gz ASQLMRSRNHXXGX-NQIIRXRSSA-N 0 0 406.873 4.042 20 30 HIEDRN CN(CCc1ccc(Br)cc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469299623 883396799 /nfs/dbraw/zinc/39/67/99/883396799.db2.gz FYEWDBGENYMBQF-UHFFFAOYSA-N 0 0 410.271 4.290 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(N[C@H](Cc3ccccn3)c3cccnc3)ccc21 ZINC000469304747 883403602 /nfs/dbraw/zinc/40/36/02/883403602.db2.gz YDKXUPANWYCREO-HSZRJFAPSA-N 0 0 411.509 4.455 20 30 HIEDRN CC(C)n1cc(C#N)c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1 ZINC000469310212 883410906 /nfs/dbraw/zinc/41/09/06/883410906.db2.gz ZSFAGRDBMFNFHQ-UHFFFAOYSA-N 0 0 400.438 4.913 20 30 HIEDRN Cc1nc(CN2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)oc1C ZINC000503610221 912709563 /nfs/dbraw/zinc/70/95/63/912709563.db2.gz MMLIYLTYXZBKMY-UHFFFAOYSA-N 0 0 414.509 4.041 20 30 HIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)o1 ZINC000469350649 883469281 /nfs/dbraw/zinc/46/92/81/883469281.db2.gz VCLUVHNCRFTKPT-IBGZPJMESA-N 0 0 415.493 4.377 20 30 HIEDRN COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 ZINC000469359105 883482651 /nfs/dbraw/zinc/48/26/51/883482651.db2.gz DLGNUTAGRHJAAZ-ZHRRBRCNSA-N 0 0 418.449 4.010 20 30 HIEDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000469376896 883507855 /nfs/dbraw/zinc/50/78/55/883507855.db2.gz JYLRUHNLKFUCKY-INIZCTEOSA-N 0 0 404.470 4.171 20 30 HIEDRN C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1c[nH]c2ccccc21 ZINC000469390337 883541032 /nfs/dbraw/zinc/54/10/32/883541032.db2.gz GBRNFIBKGDRRKM-AEFFLSMTSA-N 0 0 404.489 4.457 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1-c1c(F)cccc1F ZINC000469398870 883560947 /nfs/dbraw/zinc/56/09/47/883560947.db2.gz ANGLEUBLLKRFMB-UTKZUKDTSA-N 0 0 406.436 4.371 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(OC(C)(C)C)n2)cc1 ZINC000503625753 912726444 /nfs/dbraw/zinc/72/64/44/912726444.db2.gz DLBGIYHAIKPRDE-UHFFFAOYSA-N 0 0 422.529 4.395 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469418436 883593912 /nfs/dbraw/zinc/59/39/12/883593912.db2.gz RHAZYDLOQNTWAT-INIZCTEOSA-N 0 0 401.482 4.269 20 30 HIEDRN N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469418437 883594777 /nfs/dbraw/zinc/59/47/77/883594777.db2.gz RHAZYDLOQNTWAT-MRXNPFEDSA-N 0 0 401.482 4.269 20 30 HIEDRN N#CCCCn1cc(C(=O)N2CCN(c3cccc(F)c3F)CC2)c2ccccc21 ZINC000469439993 883628982 /nfs/dbraw/zinc/62/89/82/883628982.db2.gz DBBYCTAYTLVTDG-UHFFFAOYSA-N 0 0 408.452 4.186 20 30 HIEDRN CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000469447425 883644997 /nfs/dbraw/zinc/64/49/97/883644997.db2.gz BWRFRAXQSAQPME-OAQYLSRUSA-N 0 0 412.555 4.247 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469454159 883659074 /nfs/dbraw/zinc/65/90/74/883659074.db2.gz HJYLBQKWGHKKMI-KRWDZBQOSA-N 0 0 413.468 4.100 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000503637791 912739483 /nfs/dbraw/zinc/73/94/83/912739483.db2.gz URISRMMVTNENJM-CQSZACIVSA-N 0 0 416.319 4.190 20 30 HIEDRN C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)c1noc(Cc2ccccc2)n1 ZINC000469584476 883823977 /nfs/dbraw/zinc/82/39/77/883823977.db2.gz HCMIJOMDIUSHBR-QGZVFWFLSA-N 0 0 413.481 4.410 20 30 HIEDRN O=C(CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)Nc1ccc(F)c(F)c1F ZINC000503648806 912755997 /nfs/dbraw/zinc/75/59/97/912755997.db2.gz RHKDWAFFXOIWBB-UHFFFAOYSA-N 0 0 423.394 4.264 20 30 HIEDRN CC[C@H](C(=O)N1CCC(NC(=O)[C@@H](C#N)CCc2ccccc2)CC1)c1ccccc1 ZINC000469627232 883839545 /nfs/dbraw/zinc/83/95/45/883839545.db2.gz JLNMLJADKRTBAP-VWNXMTODSA-N 0 0 417.553 4.060 20 30 HIEDRN CC[C@H](C(=O)N1CCC(NC(=O)[C@H](C#N)CCc2ccccc2)CC1)c1ccccc1 ZINC000469627231 883839680 /nfs/dbraw/zinc/83/96/80/883839680.db2.gz JLNMLJADKRTBAP-UPVQGACJSA-N 0 0 417.553 4.060 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000469651308 883849044 /nfs/dbraw/zinc/84/90/44/883849044.db2.gz LHSXXYMAQDXILH-HNNXBMFYSA-N 0 0 404.495 4.148 20 30 HIEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000469663552 883857293 /nfs/dbraw/zinc/85/72/93/883857293.db2.gz VYNQGEKTYWNBGJ-AWEZNQCLSA-N 0 0 422.485 4.287 20 30 HIEDRN CC(C)(CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cccc(Cl)c1F ZINC000469667064 883859825 /nfs/dbraw/zinc/85/98/25/883859825.db2.gz KOPDKRJEBMNORX-UHFFFAOYSA-N 0 0 412.856 4.031 20 30 HIEDRN CC(=O)N1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)c2ccccc21 ZINC000469671172 883861498 /nfs/dbraw/zinc/86/14/98/883861498.db2.gz QYYKRIMGZCYSOD-OAQYLSRUSA-N 0 0 400.482 4.173 20 30 HIEDRN CCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1OC ZINC000469697100 883876319 /nfs/dbraw/zinc/87/63/19/883876319.db2.gz DFACJCQMFNUKGX-CQSZACIVSA-N 0 0 414.387 4.347 20 30 HIEDRN COc1cc(Br)ccc1[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000469739646 883896453 /nfs/dbraw/zinc/89/64/53/883896453.db2.gz NEJQDVXJGGAOOL-HNNXBMFYSA-N 0 0 416.319 4.055 20 30 HIEDRN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503656966 912763711 /nfs/dbraw/zinc/76/37/11/912763711.db2.gz BERZZZQOZBAYDR-UHFFFAOYSA-N 0 0 402.498 4.025 20 30 HIEDRN N#Cc1ccc(C2=CCN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000469771298 883945071 /nfs/dbraw/zinc/94/50/71/883945071.db2.gz ZGIPQUDEZFPYBJ-QHCPKHFHSA-N 0 0 407.464 4.117 20 30 HIEDRN Cc1cc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)nn1-c1cccc(C#N)c1 ZINC000503665749 912773086 /nfs/dbraw/zinc/77/30/86/912773086.db2.gz HGDNZJIYCXPBDM-IBGZPJMESA-N 0 0 420.900 4.389 20 30 HIEDRN CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000503667596 912775638 /nfs/dbraw/zinc/77/56/38/912775638.db2.gz SJUOFCZPBKWLMA-IBGZPJMESA-N 0 0 418.291 4.353 20 30 HIEDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000469887578 884079270 /nfs/dbraw/zinc/07/92/70/884079270.db2.gz CPTNLMPLVLIQKB-FVJLSDCUSA-N 0 0 424.884 4.418 20 30 HIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(C)(C)c1ccccc1Br ZINC000503678126 912784790 /nfs/dbraw/zinc/78/47/90/912784790.db2.gz DEYONKIDHVMHLV-FQEVSTJZSA-N 0 0 423.351 4.105 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000469914485 884104440 /nfs/dbraw/zinc/10/44/40/884104440.db2.gz JYLISTQXUGDETL-QHCPKHFHSA-N 0 0 416.481 4.198 20 30 HIEDRN CCNc1ccc(C#N)cc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000469939256 884135346 /nfs/dbraw/zinc/13/53/46/884135346.db2.gz PFXCBFCQESSVHQ-KRWDZBQOSA-N 0 0 400.891 4.085 20 30 HIEDRN CC(C)Oc1cccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000469948754 884147358 /nfs/dbraw/zinc/14/73/58/884147358.db2.gz RDYTXOSQVOVIRT-UHFFFAOYSA-N 0 0 405.498 4.238 20 30 HIEDRN Cc1ccc(OCCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C ZINC000469948790 884147775 /nfs/dbraw/zinc/14/77/75/884147775.db2.gz RXGAAXNYBLGHHZ-UHFFFAOYSA-N 0 0 405.498 4.294 20 30 HIEDRN CC(C)c1cccc(OCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000469950286 884149563 /nfs/dbraw/zinc/14/95/63/884149563.db2.gz KRFGWLAKFQLKEZ-UHFFFAOYSA-N 0 0 405.498 4.410 20 30 HIEDRN CCOc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000469952731 884153614 /nfs/dbraw/zinc/15/36/14/884153614.db2.gz JOSNGZMVCZWVJA-UHFFFAOYSA-N 0 0 405.498 4.240 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(OC(F)F)cc3)ccc21 ZINC000469969839 884181072 /nfs/dbraw/zinc/18/10/72/884181072.db2.gz SMWCJCNWOYKMAR-UHFFFAOYSA-N 0 0 413.424 4.052 20 30 HIEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-c4ccncc4)cc3)cc2C1=O ZINC000470006210 884223102 /nfs/dbraw/zinc/22/31/02/884223102.db2.gz NSUPZGPVYBUGFW-INIZCTEOSA-N 0 0 411.461 4.022 20 30 HIEDRN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000503713057 912807073 /nfs/dbraw/zinc/80/70/73/912807073.db2.gz LPPMRWIMSMSSDA-UHFFFAOYSA-N 0 0 405.404 4.101 20 30 HIEDRN Cc1nc(SCC(=O)N[C@H](C)c2ccccc2-n2cccn2)c(C#N)c(C)c1C ZINC000470144511 884410489 /nfs/dbraw/zinc/41/04/89/884410489.db2.gz WDFPQBLAYCLWLA-QGZVFWFLSA-N 0 0 405.527 4.034 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)c(Cl)c1 ZINC000503797194 912826556 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N#Cc1ccc(N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)c(Cl)c1 ZINC000470226572 884553454 /nfs/dbraw/zinc/55/34/54/884553454.db2.gz PWMVCBKYWXQCQB-UHFFFAOYSA-N 0 0 414.943 4.359 20 30 HIEDRN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000503835363 912836797 /nfs/dbraw/zinc/83/67/97/912836797.db2.gz YFNMOCDKODZFCZ-GOSISDBHSA-N 0 0 402.420 4.103 20 30 HIEDRN CC[C@H](C)n1ncc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1C1CC1 ZINC000470231677 884559191 /nfs/dbraw/zinc/55/91/91/884559191.db2.gz CSOKCWUXQXYERN-HNNXBMFYSA-N 0 0 411.937 4.219 20 30 HIEDRN C[C@]1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCCN(C(=O)c2ccccc2)C1 ZINC000503841805 912838025 /nfs/dbraw/zinc/83/80/25/912838025.db2.gz PRANYXKMTJOHIZ-SANMLTNESA-N 0 0 413.521 4.116 20 30 HIEDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503845232 912839128 /nfs/dbraw/zinc/83/91/28/912839128.db2.gz RGDWPYDGRWUSPV-IBGZPJMESA-N 0 0 402.494 4.163 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000470252174 884588919 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C=CCc1cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)cc(OC)c1OC ZINC000470432626 884832318 /nfs/dbraw/zinc/83/23/18/884832318.db2.gz IVSVMYNUCCJPFD-UHFFFAOYSA-N 0 0 410.514 4.473 20 30 HIEDRN Cc1ccc(C)c(-n2c3nnc(S[C@@H](C)CCC#N)n3c3ccccc3c2=O)c1 ZINC000470443732 884841595 /nfs/dbraw/zinc/84/15/95/884841595.db2.gz AMLCSYDDLLTVKF-INIZCTEOSA-N 0 0 403.511 4.435 20 30 HIEDRN C[C@@H](CCC#N)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1 ZINC000470452678 884847496 /nfs/dbraw/zinc/84/74/96/884847496.db2.gz HNVNHLAQPYKULC-HNNXBMFYSA-N 0 0 417.494 4.279 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)CSc2nc(C3CC3)cc(=O)[nH]2)ccc1Cl ZINC000470451981 884847809 /nfs/dbraw/zinc/84/78/09/884847809.db2.gz ANCOSUPFQNGDHM-UHFFFAOYSA-N 0 0 402.907 4.060 20 30 HIEDRN Cc1nc(C2(NCC(=O)N(CCC#N)c3cccc(Cl)c3)CCCCCC2)no1 ZINC000470455202 884850303 /nfs/dbraw/zinc/85/03/03/884850303.db2.gz FVVHSKUTFKTDRI-UHFFFAOYSA-N 0 0 415.925 4.117 20 30 HIEDRN N#Cc1nc(N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccc1Cl ZINC000470498885 884886154 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N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCc4ccc(F)c(F)c4C3)ccc21 ZINC000470563676 884979742 /nfs/dbraw/zinc/97/97/42/884979742.db2.gz CWOFUAWPJKENKL-UHFFFAOYSA-N 0 0 424.451 4.138 20 30 HIEDRN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470565778 884983586 /nfs/dbraw/zinc/98/35/86/884983586.db2.gz TZTUFEHCYZVGCT-PKOBYXMFSA-N 0 0 400.548 4.065 20 30 HIEDRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)cc1 ZINC000470583377 884998165 /nfs/dbraw/zinc/99/81/65/884998165.db2.gz NQNIQVNLOJTLLE-RXVVDRJESA-N 0 0 410.539 4.091 20 30 HIEDRN C=CCNC(=O)CNC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000470590120 885006698 /nfs/dbraw/zinc/00/66/98/885006698.db2.gz DXKQDORMGISJDO-UHFFFAOYSA-N 0 0 400.891 4.040 20 30 HIEDRN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000503967131 912888839 /nfs/dbraw/zinc/88/88/39/912888839.db2.gz SMQZYMNNXCZVOV-UHFFFAOYSA-N 0 0 408.889 4.235 20 30 HIEDRN CCC1(CC)CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC[S@]1=O ZINC000470602974 885030176 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885247796 /nfs/dbraw/zinc/24/77/96/885247796.db2.gz RTCHIFNJAOXYQC-UHFFFAOYSA-N 0 0 419.529 4.252 20 30 HIEDRN N#Cc1ccc(C2=CCN(C(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)CC2)cc1 ZINC000504013005 912918547 /nfs/dbraw/zinc/91/85/47/912918547.db2.gz KXXADDCDTYQXRS-UHFFFAOYSA-N 0 0 420.419 4.479 20 30 HIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000470804689 885293298 /nfs/dbraw/zinc/29/32/98/885293298.db2.gz UCAIYMHHYPQWRW-SFHVURJKSA-N 0 0 408.299 4.194 20 30 HIEDRN COc1cc([C@H](C)NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000470810190 885300044 /nfs/dbraw/zinc/30/00/44/885300044.db2.gz BSEBFRCVVNVRNY-LAUBAEHRSA-N 0 0 405.498 4.161 20 30 HIEDRN C=CCN1C(=O)N=NC1S[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000470823729 885310014 /nfs/dbraw/zinc/31/00/14/885310014.db2.gz YIJUJIRKQOFVNC-CYBMUJFWSA-N 0 0 401.319 4.232 20 30 HIEDRN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)cc1 ZINC000470825948 885314324 /nfs/dbraw/zinc/31/43/24/885314324.db2.gz HAGLMNULHGQCGE-QGZVFWFLSA-N 0 0 419.378 4.296 20 30 HIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000470833352 885323445 /nfs/dbraw/zinc/32/34/45/885323445.db2.gz RTIXDPUUWDSPPE-QGZVFWFLSA-N 0 0 417.431 4.154 20 30 HIEDRN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470837582 885330129 /nfs/dbraw/zinc/33/01/29/885330129.db2.gz VGKQQXOWTBUDLF-NRFANRHFSA-N 0 0 414.509 4.250 20 30 HIEDRN CN(C(=O)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1)C1CCCCC1 ZINC000470848422 885345290 /nfs/dbraw/zinc/34/52/90/885345290.db2.gz SDSKMFGDMKWXRP-NRFANRHFSA-N 0 0 414.509 4.284 20 30 HIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 ZINC000470851378 885350917 /nfs/dbraw/zinc/35/09/17/885350917.db2.gz LYUULYMEJQTZIY-UHFFFAOYSA-N 0 0 412.833 4.083 20 30 HIEDRN C=CCn1c(Sc2cc(C)c([N+](=O)[O-])cn2)nc2sc3c(c2c1=O)CCCC3 ZINC000470868466 885358072 /nfs/dbraw/zinc/35/80/72/885358072.db2.gz LRNTUTYNSDCOSZ-UHFFFAOYSA-N 0 0 414.512 4.286 20 30 HIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1Sc1cc(C)c([N+](=O)[O-])cn1 ZINC000470873448 885361784 /nfs/dbraw/zinc/36/17/84/885361784.db2.gz NRORJTJFVQKHNP-UHFFFAOYSA-N 0 0 417.878 4.459 20 30 HIEDRN N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCc1ccccc1C(N)=O ZINC000470878730 885369254 /nfs/dbraw/zinc/36/92/54/885369254.db2.gz BBPQKAGPBRVBJF-UHFFFAOYSA-N 0 0 417.896 4.477 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000470915591 885424193 /nfs/dbraw/zinc/42/41/93/885424193.db2.gz GELIHPLGLPMKID-WFASDCNBSA-N 0 0 413.465 4.066 20 30 HIEDRN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470961450 885459295 /nfs/dbraw/zinc/45/92/95/885459295.db2.gz SMUNYAPHYLKOGG-LPHOPBHVSA-N 0 0 418.463 4.236 20 30 HIEDRN CSc1ccc(-c2nsc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)cc1 ZINC000470966192 885465161 /nfs/dbraw/zinc/46/51/61/885465161.db2.gz GXKYHFMGBHKAEJ-MRXNPFEDSA-N 0 0 405.508 4.120 20 30 HIEDRN CC(C)Oc1cc(Br)cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000470992317 885492249 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Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000471345575 885955673 /nfs/dbraw/zinc/95/56/73/885955673.db2.gz LJCPPNUUXCUVJH-UHFFFAOYSA-N 0 0 421.501 4.036 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(NC(=O)C(C)C)ccc3C)C2)n1 ZINC000471349081 885962988 /nfs/dbraw/zinc/96/29/88/885962988.db2.gz UEQXJEXCECSUIF-IBGZPJMESA-N 0 0 419.529 4.020 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)nn1CCC#N ZINC000504084966 912992522 /nfs/dbraw/zinc/99/25/22/912992522.db2.gz CGYVGQGSKSFHRE-UHFFFAOYSA-N 0 0 402.458 4.310 20 30 HIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000471362765 885992321 /nfs/dbraw/zinc/99/23/21/885992321.db2.gz HFHOIUNCKHRICP-YJBOKZPZSA-N 0 0 416.447 4.374 20 30 HIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)cc1 ZINC000471402268 886053339 /nfs/dbraw/zinc/05/33/39/886053339.db2.gz YOENYIDTTPJVLJ-UHFFFAOYSA-N 0 0 420.391 4.224 20 30 HIEDRN CC[C@H](NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)(C)c1ccccc1 ZINC000471403727 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ZINC000505966012 914625578 /nfs/dbraw/zinc/62/55/78/914625578.db2.gz MQXUJYHKVBUOBJ-CQSZACIVSA-N 0 0 410.480 4.388 20 30 HIEDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487929821 902459853 /nfs/dbraw/zinc/45/98/53/902459853.db2.gz AYXDLRALBSDTJS-ZYUBPSHWSA-N 0 0 406.324 4.114 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1Br ZINC000487930458 902461603 /nfs/dbraw/zinc/46/16/03/902461603.db2.gz CIFOMDMXTOBHCA-HNNXBMFYSA-N 0 0 413.319 4.359 20 30 HIEDRN COCCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487934822 902463548 /nfs/dbraw/zinc/46/35/48/902463548.db2.gz LLSUNSMNWILCMA-KRWDZBQOSA-N 0 0 416.319 4.480 20 30 HIEDRN N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Br ZINC000487947427 902477998 /nfs/dbraw/zinc/47/79/98/902477998.db2.gz CWGQWGGOVXHEPY-INIZCTEOSA-N 0 0 414.259 4.418 20 30 HIEDRN N#Cc1ccc(NC(=O)NCCCCOCc2ccccc2)cc1Br ZINC000487954148 902480237 /nfs/dbraw/zinc/48/02/37/902480237.db2.gz KAYLWMRCMDIDTM-UHFFFAOYSA-N 0 0 402.292 4.439 20 30 HIEDRN N#CCC[C@@H](NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000487960437 902485858 /nfs/dbraw/zinc/48/58/58/902485858.db2.gz UOMKLTJWEPILBO-QGZVFWFLSA-N 0 0 405.424 4.293 20 30 HIEDRN C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H](c2ccccc2)O1 ZINC000487966792 902492508 /nfs/dbraw/zinc/49/25/08/902492508.db2.gz JSLCYOSETJJYRN-ACJLOTCBSA-N 0 0 400.276 4.315 20 30 HIEDRN N#Cc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1Br ZINC000487972293 902497910 /nfs/dbraw/zinc/49/79/10/902497910.db2.gz YCNSNVAMTQGDQQ-INIZCTEOSA-N 0 0 404.264 4.127 20 30 HIEDRN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487982478 902504286 /nfs/dbraw/zinc/50/42/86/902504286.db2.gz GLMJUIVUCPMFTD-LLVKDONJSA-N 0 0 401.264 4.162 20 30 HIEDRN Cc1ccc(-n2cnc3c2CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C3)cc1 ZINC000488004685 902524820 /nfs/dbraw/zinc/52/48/20/902524820.db2.gz AYNQDJACZXXAKA-INIZCTEOSA-N 0 0 419.916 4.091 20 30 HIEDRN CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000488007449 902527051 /nfs/dbraw/zinc/52/70/51/902527051.db2.gz OWFDLXRNJSNROO-MRXNPFEDSA-N 0 0 402.296 4.296 20 30 HIEDRN COc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1Br ZINC000505970744 914633557 /nfs/dbraw/zinc/63/35/57/914633557.db2.gz KNPDMXKAFSHADN-CQSZACIVSA-N 0 0 413.193 4.471 20 30 HIEDRN CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC000488017822 902536226 /nfs/dbraw/zinc/53/62/26/902536226.db2.gz OMMIKIDVQUXQKE-UHFFFAOYSA-N 0 0 412.511 4.245 20 30 HIEDRN N#Cc1cccc(COc2cccc(NC(=O)CCOCC(F)(F)C(F)F)c2)c1 ZINC000488017499 902537347 /nfs/dbraw/zinc/53/73/47/902537347.db2.gz YRKAHXWJUINYOL-UHFFFAOYSA-N 0 0 410.367 4.383 20 30 HIEDRN N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000488034983 902552546 /nfs/dbraw/zinc/55/25/46/902552546.db2.gz YGJUNXHQKYKQMM-FQEVSTJZSA-N 0 0 412.415 4.009 20 30 HIEDRN CCc1ccc([C@@H](Nc2ccc(C#N)c(C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000488052245 902565299 /nfs/dbraw/zinc/56/52/99/902565299.db2.gz BKUAFJYTLOZRLW-HSZRJFAPSA-N 0 0 405.523 4.429 20 30 HIEDRN CN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000505977347 914640616 /nfs/dbraw/zinc/64/06/16/914640616.db2.gz SCPAEYZUUNLYSZ-QGZVFWFLSA-N 0 0 416.344 4.428 20 30 HIEDRN Cc1ccc([C@@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1[N+](=O)[O-] ZINC000488108501 902609821 /nfs/dbraw/zinc/60/98/21/902609821.db2.gz OFQNHERHAVRMKM-OAHLLOKOSA-N 0 0 405.410 4.438 20 30 HIEDRN CN(C)C(=O)c1cccc(NC(=O)CNc2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000488109374 902611688 /nfs/dbraw/zinc/61/16/88/902611688.db2.gz BJUPFLIMIVZSFE-UHFFFAOYSA-N 0 0 414.465 4.103 20 30 HIEDRN CC(C)c1c(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cnn1-c1ccccc1 ZINC000488115731 902614652 /nfs/dbraw/zinc/61/46/52/902614652.db2.gz MROPDPFUXNUTIR-UHFFFAOYSA-N 0 0 407.861 4.098 20 30 HIEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C2)nc1 ZINC000488161397 902654881 /nfs/dbraw/zinc/65/48/81/902654881.db2.gz LLLRLGOOOJKWNG-NVXWUHKLSA-N 0 0 414.918 4.006 20 30 HIEDRN N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1F ZINC000505982872 914647833 /nfs/dbraw/zinc/64/78/33/914647833.db2.gz WNKYPDPCIUZEEY-NRFANRHFSA-N 0 0 404.401 4.341 20 30 HIEDRN N#Cc1cccc(-c2nnc(CNc3cc(Cl)ccc3OC[C@@H]3CCOC3)o2)c1 ZINC000488203711 902686015 /nfs/dbraw/zinc/68/60/15/902686015.db2.gz WLANAZSOGSNINY-OAHLLOKOSA-N 0 0 410.861 4.289 20 30 HIEDRN CN(C)[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000505982865 914648419 /nfs/dbraw/zinc/64/84/19/914648419.db2.gz WHMSYWIGBUXTEK-RDJZCZTQSA-N 0 0 413.802 4.482 20 30 HIEDRN CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000505986792 914653268 /nfs/dbraw/zinc/65/32/68/914653268.db2.gz LNCFYEIJJAHHPX-MRXNPFEDSA-N 0 0 411.310 4.170 20 30 HIEDRN CC(=O)N[C@@H](C)CCc1ccc(C(=O)COc2c(C#N)cnc3ccc(C)cc32)cc1 ZINC000488283170 902745446 /nfs/dbraw/zinc/74/54/46/902745446.db2.gz STYSLQJQRLDUTG-KRWDZBQOSA-N 0 0 415.493 4.134 20 30 HIEDRN N#Cc1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)cc1Cl ZINC000488283937 902746657 /nfs/dbraw/zinc/74/66/57/902746657.db2.gz YEXCHOCBACKWRA-HXUWFJFHSA-N 0 0 417.896 4.293 20 30 HIEDRN N#C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1 ZINC000505987952 914655567 /nfs/dbraw/zinc/65/55/67/914655567.db2.gz VVQGFLHECDLNIH-KRWDZBQOSA-N 0 0 414.387 4.459 20 30 HIEDRN COc1ccc([C@H](C#N)N2CCN(C(=O)C[C@H]3C[C@H](C)c4c3cccc4C)CC2)cc1 ZINC000488370873 902784273 /nfs/dbraw/zinc/78/42/73/902784273.db2.gz RHRQILSTUMLQAA-LEEZEASISA-N 0 0 417.553 4.394 20 30 HIEDRN COCCN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CCOC1 ZINC000488388856 902798661 /nfs/dbraw/zinc/79/86/61/902798661.db2.gz TWGYKEQXRGSDRA-ICSRJNTNSA-N 0 0 413.905 4.265 20 30 HIEDRN C=CCN(C(=O)COc1ccccc1Br)c1nc2c(s1)CCCC2 ZINC000488407791 902812675 /nfs/dbraw/zinc/81/26/75/902812675.db2.gz QYOIIOQEGFMHRT-UHFFFAOYSA-N 0 0 407.333 4.382 20 30 HIEDRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N[C@@H](C#N)c3ccccc3F)cc2)cc1 ZINC000505992496 914660651 /nfs/dbraw/zinc/66/06/51/914660651.db2.gz QPSGBCHMMKCUHX-QFIPXVFZSA-N 0 0 422.481 4.103 20 30 HIEDRN N#Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)c[nH]1 ZINC000488467433 902839793 /nfs/dbraw/zinc/83/97/93/902839793.db2.gz IFSPZSGMXYOEQV-UHFFFAOYSA-N 0 0 404.857 4.271 20 30 HIEDRN CCOc1cc(Cl)ccc1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000488473242 902843353 /nfs/dbraw/zinc/84/33/53/902843353.db2.gz YQTDVEDWJFYIJP-UHFFFAOYSA-N 0 0 420.900 4.121 20 30 HIEDRN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCc4cc(Cl)cc(Cl)c43)C2=O)cc1 ZINC000488475099 902844550 /nfs/dbraw/zinc/84/45/50/902844550.db2.gz ZIKIISKNFRBNLJ-RBUKOAKNSA-N 0 0 400.309 4.243 20 30 HIEDRN C=CCC[C@H](NC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000488475857 902844680 /nfs/dbraw/zinc/84/46/80/902844680.db2.gz FGKYQJPEANOGSY-IBGZPJMESA-N 0 0 423.479 4.413 20 30 HIEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000488476032 902845624 /nfs/dbraw/zinc/84/56/24/902845624.db2.gz FRXVFKWNJOILBG-GOSISDBHSA-N 0 0 403.324 4.461 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000488479430 902846772 /nfs/dbraw/zinc/84/67/72/902846772.db2.gz FYCLNOHWHRIAGV-GOSISDBHSA-N 0 0 415.902 4.464 20 30 HIEDRN COc1ccc(NC(=O)c2cccc(F)c2C#N)cc1NC(=O)c1cccc(F)c1 ZINC000488635710 902912519 /nfs/dbraw/zinc/91/25/19/902912519.db2.gz GOCXHQFELRFGDH-UHFFFAOYSA-N 0 0 407.376 4.350 20 30 HIEDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000488653778 902921947 /nfs/dbraw/zinc/92/19/47/902921947.db2.gz BJYBKSMGFRTNEA-SUMWQHHRSA-N 0 0 419.312 4.054 20 30 HIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000488700981 902952117 /nfs/dbraw/zinc/95/21/17/902952117.db2.gz PBGDLCVWDGKEBS-UHFFFAOYSA-N 0 0 423.444 4.099 20 30 HIEDRN Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1C(C)C ZINC000488761186 902983744 /nfs/dbraw/zinc/98/37/44/902983744.db2.gz GBZYXARBIDUAJO-GFCCVEGCSA-N 0 0 403.577 4.346 20 30 HIEDRN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cnc(C#N)nc2)cc1 ZINC000488773275 902989049 /nfs/dbraw/zinc/98/90/49/902989049.db2.gz FDPNHZYTKIPGGV-UHFFFAOYSA-N 0 0 424.844 4.210 20 30 HIEDRN CCc1nn(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c(C#N)c1CC ZINC000488810438 903016723 /nfs/dbraw/zinc/01/67/23/903016723.db2.gz AMHORMVLPCGJAX-UHFFFAOYSA-N 0 0 416.481 4.061 20 30 HIEDRN N#Cc1ccc(C(F)(F)F)nc1S[C@H](C(N)=O)c1cccc(Br)c1 ZINC000488818247 903021854 /nfs/dbraw/zinc/02/18/54/903021854.db2.gz PTHWZJJJXQMASA-LBPRGKRZSA-N 0 0 416.222 4.053 20 30 HIEDRN N#Cc1cccc(CNC(=O)CSc2nnc(-c3cccc4ccccc43)o2)c1 ZINC000488858162 903045416 /nfs/dbraw/zinc/04/54/16/903045416.db2.gz QXHAJKKTAREWOB-UHFFFAOYSA-N 0 0 400.463 4.170 20 30 HIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cnccn1 ZINC000488876502 903054313 /nfs/dbraw/zinc/05/43/13/903054313.db2.gz GICNHVYPKRPBBX-CYBMUJFWSA-N 0 0 414.922 4.002 20 30 HIEDRN C=CCn1c(SCCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(OC)c1 ZINC000488878873 903055901 /nfs/dbraw/zinc/05/59/01/903055901.db2.gz NTCUACPFJNQORO-UHFFFAOYSA-N 0 0 419.510 4.123 20 30 HIEDRN N#Cc1ccc(CNC(=O)CSc2nnc(-c3cccc4ccccc43)o2)cc1 ZINC000488882916 903057511 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CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000512531595 921219553 /nfs/dbraw/zinc/21/95/53/921219553.db2.gz HMMIJNNDSQQZGN-GOSISDBHSA-N 0 0 422.533 4.075 20 30 HIEDRN N#Cc1ccc(NC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)cc1Cl ZINC000495145221 906270082 /nfs/dbraw/zinc/27/00/82/906270082.db2.gz FDHUNHQCLBDCRJ-GFCCVEGCSA-N 0 0 411.811 4.203 20 30 HIEDRN C=C(C)CN(CC(=O)Nc1ccc(Br)cc1)Cc1cnn(C(C)C)c1 ZINC000512542702 921225937 /nfs/dbraw/zinc/22/59/37/921225937.db2.gz TVYMRZUIGICSNT-UHFFFAOYSA-N 0 0 405.340 4.243 20 30 HIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000495158395 906276169 /nfs/dbraw/zinc/27/61/69/906276169.db2.gz PLHBMDRTGGFHKE-UHFFFAOYSA-N 0 0 413.468 4.115 20 30 HIEDRN Cc1cc(C2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)ccc1Br ZINC000495255544 906341956 /nfs/dbraw/zinc/34/19/56/906341956.db2.gz QMEHOGAYUJCHER-FQEVSTJZSA-N 0 0 412.331 4.035 20 30 HIEDRN O=C(CCOCC(F)(F)C(F)(F)F)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000495256867 906344565 /nfs/dbraw/zinc/34/45/65/906344565.db2.gz OMFRPNGXGMQGOZ-UHFFFAOYSA-N 0 0 419.312 4.458 20 30 HIEDRN COc1ccc(C2=NN(C(=O)CSc3ccc(C#N)cn3)[C@H](c3ccco3)C2)cc1 ZINC000495265608 906349471 /nfs/dbraw/zinc/34/94/71/906349471.db2.gz CBGRKBBCGFTLIS-IBGZPJMESA-N 0 0 418.478 4.025 20 30 HIEDRN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccc(C#N)cc1)CC2 ZINC000495279762 906353468 /nfs/dbraw/zinc/35/34/68/906353468.db2.gz MYQZZZWCXPGLTK-SANMLTNESA-N 0 0 412.489 4.292 20 30 HIEDRN CCC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC)c1ccc(Cl)c(Cl)c1 ZINC000495303856 906365996 /nfs/dbraw/zinc/36/59/96/906365996.db2.gz BKZXSISCUUPXAD-MRXNPFEDSA-N 0 0 420.296 4.470 20 30 HIEDRN COC(=O)c1cc(Oc2cc(C)c(C#N)c3nc4ccccc4n32)ccc1[N+](=O)[O-] ZINC000495324470 906376123 /nfs/dbraw/zinc/37/61/23/906376123.db2.gz SHXMWVRIDDEFBL-UHFFFAOYSA-N 0 0 402.366 4.155 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000495327900 906377280 /nfs/dbraw/zinc/37/72/80/906377280.db2.gz JEPUWBUPYOHYKO-UHFFFAOYSA-N 0 0 411.502 4.379 20 30 HIEDRN CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000495347725 906392542 /nfs/dbraw/zinc/39/25/42/906392542.db2.gz JLBOCFHPBGLZBM-UHFFFAOYSA-N 0 0 420.419 4.177 20 30 HIEDRN C=CCc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cn2)cc(OC)c1OC ZINC000495368404 906409367 /nfs/dbraw/zinc/40/93/67/906409367.db2.gz GPJHTJCWUBWHSM-UHFFFAOYSA-N 0 0 409.530 4.312 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000495394320 906423459 /nfs/dbraw/zinc/42/34/59/906423459.db2.gz GPTHVLSQOGVHMQ-SFHVURJKSA-N 0 0 401.308 4.146 20 30 HIEDRN CCc1cc(N2CCC[C@H](NC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)ncn1 ZINC000495406488 906430685 /nfs/dbraw/zinc/43/06/85/906430685.db2.gz GEQAWBJHHRSSDN-AEFFLSMTSA-N 0 0 424.574 4.224 20 30 HIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1C#N ZINC000495416637 906437791 /nfs/dbraw/zinc/43/77/91/906437791.db2.gz FOBNSBHHENMDDV-ZDUSSCGKSA-N 0 0 419.510 4.017 20 30 HIEDRN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NC1(c3cccc(C#N)c3)CC1)O[C@H](C)C2 ZINC000495420840 906441217 /nfs/dbraw/zinc/44/12/17/906441217.db2.gz LPVHHNUTXVGLNP-JJXUHFIVSA-N 0 0 417.509 4.125 20 30 HIEDRN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000495470463 906470330 /nfs/dbraw/zinc/47/03/30/906470330.db2.gz OTFQZSGDHWXXFA-DJJJIMSYSA-N 0 0 401.308 4.146 20 30 HIEDRN C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495743264 906540549 /nfs/dbraw/zinc/54/05/49/906540549.db2.gz PQCZUXHXDUOXDC-OAHLLOKOSA-N 0 0 422.554 4.060 20 30 HIEDRN CCSc1ccc([C@@H](C)NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 ZINC000512587582 921251125 /nfs/dbraw/zinc/25/11/25/921251125.db2.gz LXRGXVPVDYIIEC-WIYYLYMNSA-N 0 0 408.571 4.279 20 30 HIEDRN COc1cccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1OC(F)F ZINC000512590095 921251584 /nfs/dbraw/zinc/25/15/84/921251584.db2.gz IBQFLCLCJPSUJK-UHFFFAOYSA-N 0 0 415.440 4.019 20 30 HIEDRN C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000496211623 906630572 /nfs/dbraw/zinc/63/05/72/906630572.db2.gz SCYCQDOYDULDFF-YVEFUNNKSA-N 0 0 403.251 4.178 20 30 HIEDRN N#C[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1cccc(Br)c1 ZINC000496227795 906633756 /nfs/dbraw/zinc/63/37/56/906633756.db2.gz VRILPMIXWBCLJG-KRWDZBQOSA-N 0 0 409.243 4.026 20 30 HIEDRN Cc1csc(C2(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)CCCC2)n1 ZINC000496226712 906633858 /nfs/dbraw/zinc/63/38/58/906633858.db2.gz ZUKVXEHLPNGPSK-UHFFFAOYSA-N 0 0 400.573 4.321 20 30 HIEDRN CCOc1ccc(C(=O)CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000496226505 906633991 /nfs/dbraw/zinc/63/39/91/906633991.db2.gz PLLVLBZDZBHIQT-SFHVURJKSA-N 0 0 415.287 4.192 20 30 HIEDRN N#C[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)c1cccc(Br)c1 ZINC000496243886 906636602 /nfs/dbraw/zinc/63/66/02/906636602.db2.gz JNOONLKRARZDML-SFHVURJKSA-N 0 0 413.319 4.219 20 30 HIEDRN C=CCc1cc(CNc2cccc(S(=O)(=O)NC(C)(C)C)c2C)cc(OC)c1O ZINC000512595626 921254026 /nfs/dbraw/zinc/25/40/26/921254026.db2.gz SLOZZAUCQDBMBX-UHFFFAOYSA-N 0 0 418.559 4.127 20 30 HIEDRN CCOc1ccc(OCCCC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000496294171 906650574 /nfs/dbraw/zinc/65/05/74/906650574.db2.gz ZZNIXBGXZJVZOR-IBGZPJMESA-N 0 0 417.303 4.388 20 30 HIEDRN N#C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1cccc(Br)c1 ZINC000496292379 906650752 /nfs/dbraw/zinc/65/07/52/906650752.db2.gz SBCIXYRTXSTILZ-CJNGLKHVSA-N 0 0 405.679 4.035 20 30 HIEDRN C[C@H](C#N)CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496317674 906656014 /nfs/dbraw/zinc/65/60/14/906656014.db2.gz AKYBSOFHGVPDLT-LLVKDONJSA-N 0 0 407.421 4.248 20 30 HIEDRN C/C=C\c1ccc(OCC(=O)N[C@H](C#N)c2cccc(Br)c2)c(OC)c1 ZINC000496318564 906656223 /nfs/dbraw/zinc/65/62/23/906656223.db2.gz FIEHHHYUBGAENM-MAVJXHJTSA-N 0 0 415.287 4.251 20 30 HIEDRN C[C@@H]1OCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)[C@H]1C ZINC000496320930 906657479 /nfs/dbraw/zinc/65/74/79/906657479.db2.gz FBGPQHHVDHJJNK-RYUDHWBXSA-N 0 0 424.448 4.265 20 30 HIEDRN CSc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000496320659 906657828 /nfs/dbraw/zinc/65/78/28/906657828.db2.gz LBCIONHFXPCLIU-CYBMUJFWSA-N 0 0 406.261 4.074 20 30 HIEDRN C[C@H](CC(=O)N[C@@H](C#N)c1cccc(Br)c1)C(=O)c1cccc(F)c1 ZINC000496339115 906661433 /nfs/dbraw/zinc/66/14/33/906661433.db2.gz JLSXOOJCDBJBOQ-PXAZEXFGSA-N 0 0 403.251 4.178 20 30 HIEDRN C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)c1ccon1 ZINC000496363490 906666597 /nfs/dbraw/zinc/66/65/97/906666597.db2.gz PZOSZBLHURMIIJ-SNVBAGLBSA-N 0 0 421.404 4.495 20 30 HIEDRN CC[C@H](CC#N)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496368120 906667972 /nfs/dbraw/zinc/66/79/72/906667972.db2.gz YNUHYDCUFQFBMO-CYBMUJFWSA-N 0 0 407.421 4.438 20 30 HIEDRN CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[C@@H]1CCCOC1 ZINC000496366630 906668140 /nfs/dbraw/zinc/66/81/40/906668140.db2.gz WDPKVADHNFQOSN-CQSZACIVSA-N 0 0 424.448 4.267 20 30 HIEDRN CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000496452622 906686383 /nfs/dbraw/zinc/68/63/83/906686383.db2.gz WSBPMJYTAFCDHU-HSZRJFAPSA-N 0 0 406.436 4.281 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(Cc3cc(Br)cs3)CC2)c1 ZINC000512605032 921258078 /nfs/dbraw/zinc/25/80/78/921258078.db2.gz UVXQLPZUMJOEFL-UHFFFAOYSA-N 0 0 404.333 4.233 20 30 HIEDRN N#C[C@H](C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2n1C(F)F ZINC000496592151 906716504 /nfs/dbraw/zinc/71/65/04/906716504.db2.gz KZCBAAUOLCNDKF-LLVKDONJSA-N 0 0 422.294 4.431 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000496628233 906723064 /nfs/dbraw/zinc/72/30/64/906723064.db2.gz FJHAKJQUHIPUJO-UHFFFAOYSA-N 0 0 412.511 4.220 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000496688117 906736150 /nfs/dbraw/zinc/73/61/50/906736150.db2.gz HVFRNFKQUQJATJ-UHFFFAOYSA-N 0 0 404.495 4.460 20 30 HIEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000496721800 906743195 /nfs/dbraw/zinc/74/31/95/906743195.db2.gz KQXFPEXMAKXRPM-GOSISDBHSA-N 0 0 416.930 4.047 20 30 HIEDRN C[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(C#N)cc1F ZINC000512625304 921266939 /nfs/dbraw/zinc/26/69/39/921266939.db2.gz NBDPEZSYZVPIQM-MRXNPFEDSA-N 0 0 403.461 4.265 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000497113077 906808388 /nfs/dbraw/zinc/80/83/88/906808388.db2.gz GRLAIWOYFJTYAW-HNNXBMFYSA-N 0 0 405.420 4.267 20 30 HIEDRN C=CCOc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000512638461 921270248 /nfs/dbraw/zinc/27/02/48/921270248.db2.gz LIKRAWGBHIOXSJ-UHFFFAOYSA-N 0 0 416.315 4.450 20 30 HIEDRN CN(CC(C)(C)C#N)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000497340536 906840222 /nfs/dbraw/zinc/84/02/22/906840222.db2.gz RTVZGXUDSCQRSE-UHFFFAOYSA-N 0 0 415.335 4.135 20 30 HIEDRN N#C[C@H](NC(=O)CSCc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000497358557 906850688 /nfs/dbraw/zinc/85/06/88/906850688.db2.gz SVLYDOFRWFRLDS-INIZCTEOSA-N 0 0 411.271 4.342 20 30 HIEDRN N#C[C@H]1CN(C(=O)NC2CCC(c3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000512642394 921271520 /nfs/dbraw/zinc/27/15/20/921271520.db2.gz PFCHXGOBYFPSDU-VHYCJAOWSA-N 0 0 402.542 4.132 20 30 HIEDRN C=CCN(CCc1ccco1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000497364514 906855167 /nfs/dbraw/zinc/85/51/67/906855167.db2.gz HLWMFWJWRANTGF-UHFFFAOYSA-N 0 0 402.922 4.422 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1Cl ZINC000497378566 906867172 /nfs/dbraw/zinc/86/71/72/906867172.db2.gz LPHSFBCUMJRNEF-PKOBYXMFSA-N 0 0 423.900 4.135 20 30 HIEDRN C[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)cc1F ZINC000512646606 921273533 /nfs/dbraw/zinc/27/35/33/921273533.db2.gz BQUNYDBZDPGGEM-XIKOKIGWSA-N 0 0 407.367 4.052 20 30 HIEDRN C/C=C\c1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000497384966 906871480 /nfs/dbraw/zinc/87/14/80/906871480.db2.gz HOZLWYLFBJDCQF-RQOWECAXSA-N 0 0 403.442 4.193 20 30 HIEDRN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(Br)c(F)c3)CC2)c1 ZINC000512648354 921273770 /nfs/dbraw/zinc/27/37/70/921273770.db2.gz MBNKUDKDGCGSLZ-UHFFFAOYSA-N 0 0 416.294 4.311 20 30 HIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(OC2CCCCC2)CC1 ZINC000497396037 906877675 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CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000534230301 932349792 /nfs/dbraw/zinc/34/97/92/932349792.db2.gz LVXIPRGDTOJBKL-UHFFFAOYSA-N 0 0 406.463 4.396 20 30 HIEDRN CCc1csc(-n2cc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cn2)n1 ZINC000534249146 932364469 /nfs/dbraw/zinc/36/44/69/932364469.db2.gz CAVWAQGECVOVSQ-CQSZACIVSA-N 0 0 406.298 4.193 20 30 HIEDRN C[C@H](Oc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cn1)c1ccccc1 ZINC000534282399 932374688 /nfs/dbraw/zinc/37/46/88/932374688.db2.gz FMWAPIWUSKLFIX-KRWDZBQOSA-N 0 0 423.476 4.413 20 30 HIEDRN COc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c(Br)c1 ZINC000534334109 932385050 /nfs/dbraw/zinc/38/50/50/932385050.db2.gz MWIYVCIVYHNYHR-OAHLLOKOSA-N 0 0 424.092 4.215 20 30 HIEDRN COc1cccc(COc2cccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C)c1 ZINC000534391312 932414898 /nfs/dbraw/zinc/41/48/98/932414898.db2.gz VAQWZRYNUDOWMC-UUOWRZLLSA-N 0 0 409.530 4.438 20 30 HIEDRN COC(=O)c1cccc(CSCc2nc(-c3ccc(C)c(OC)c3)no2)c1C#N ZINC000534400388 932425869 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N#Cc1cccc(COc2ccc(NC(=O)c3ccc(C(=O)NC4CC4)cc3)cc2)c1 ZINC000534562517 932565555 /nfs/dbraw/zinc/56/55/55/932565555.db2.gz ZYSKHOLFTVJDNL-UHFFFAOYSA-N 0 0 411.461 4.282 20 30 HIEDRN C=CCCOCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000534581419 932577596 /nfs/dbraw/zinc/57/75/96/932577596.db2.gz JYHZDANQTYGESC-UHFFFAOYSA-N 0 0 404.514 4.273 20 30 HIEDRN C=CCCOCCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000534580662 932577650 /nfs/dbraw/zinc/57/76/50/932577650.db2.gz LODLXXSNPJSLNJ-UHFFFAOYSA-N 0 0 422.529 4.299 20 30 HIEDRN Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)ccc1C#N ZINC000534608804 932594418 /nfs/dbraw/zinc/59/44/18/932594418.db2.gz FDFJJPBXZNMPOD-UHFFFAOYSA-N 0 0 400.154 4.175 20 30 HIEDRN C=C[C@@H](CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000534625373 932606292 /nfs/dbraw/zinc/60/62/92/932606292.db2.gz ZURNBJADCOPTBN-KRWDZBQOSA-N 0 0 416.443 4.350 20 30 HIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2c([nH]c3ccccc32)C1 ZINC000534664508 932633699 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N#Cc1ccccc1COc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000534744382 932715794 /nfs/dbraw/zinc/71/57/94/932715794.db2.gz GTISHMLAQCQRMU-UHFFFAOYSA-N 0 0 413.393 4.174 20 30 HIEDRN N#CC1(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCC1 ZINC000534766260 932749438 /nfs/dbraw/zinc/74/94/38/932749438.db2.gz OUXPQRVGYWJUCM-UHFFFAOYSA-N 0 0 410.930 4.393 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000534818743 932790793 /nfs/dbraw/zinc/79/07/93/932790793.db2.gz PSGGRJIGHNCWNQ-UHFFFAOYSA-N 0 0 400.425 4.334 20 30 HIEDRN Cc1c(Cl)cc(F)c(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1F ZINC000534926238 932842161 /nfs/dbraw/zinc/84/21/61/932842161.db2.gz WYEZDQFAUNHUKS-YOEHRIQHSA-N 0 0 417.843 4.164 20 30 HIEDRN Cc1cc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)ccc1C(=O)OC(C)(C)C ZINC000534933787 932845264 /nfs/dbraw/zinc/84/52/64/932845264.db2.gz JMCKMYOLJXNCFD-HXUWFJFHSA-N 0 0 421.497 4.050 20 30 HIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000534938323 932847444 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N#Cc1ccc(Nc2cccc(C(=O)N3CCOC[C@H]3CC(=O)c3ccco3)c2)cc1 ZINC000535151830 932969262 /nfs/dbraw/zinc/96/92/62/932969262.db2.gz XVAAGAMDHBJOHR-OAQYLSRUSA-N 0 0 415.449 4.009 20 30 HIEDRN C=CCc1ccc(OCC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000535197570 933009100 /nfs/dbraw/zinc/00/91/00/933009100.db2.gz WTRIDEPPYCVRGV-FQEVSTJZSA-N 0 0 419.525 4.152 20 30 HIEDRN N#Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000535255231 933038701 /nfs/dbraw/zinc/03/87/01/933038701.db2.gz GXEPFICCQZYRKN-UHFFFAOYSA-N 0 0 419.293 4.047 20 30 HIEDRN Cc1nc(SCC(=O)N(CCCO)Cc2cccc(Cl)c2)c(C#N)c(C)c1C ZINC000535280366 933047612 /nfs/dbraw/zinc/04/76/12/933047612.db2.gz LIESPAYPRSQBKI-UHFFFAOYSA-N 0 0 417.962 4.035 20 30 HIEDRN Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1Br ZINC000535295114 933055795 /nfs/dbraw/zinc/05/57/95/933055795.db2.gz ZWULDLGWQUGFGV-OAHLLOKOSA-N 0 0 416.294 4.167 20 30 HIEDRN CC[C@H](C)[C@@H](NC(=O)c1ccc(CC#N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000535344788 933084450 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422.872 4.166 20 30 HIEDRN CCOC(=O)c1c(NC(=O)c2ccc(C3CCCCC3)cc2)c(C#N)cn1CCOC ZINC000538535345 938643805 /nfs/dbraw/zinc/64/38/05/938643805.db2.gz ICEXNQJXPSDODZ-UHFFFAOYSA-N 0 0 423.513 4.483 20 30 HIEDRN CC(C)N1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538557659 938648505 /nfs/dbraw/zinc/64/85/05/938648505.db2.gz QXHHLRGSFLLNML-RTWAWAEBSA-N 0 0 414.912 4.374 20 30 HIEDRN C=CCN1CC[C@H](Sc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)C1=O ZINC000538570112 938651899 /nfs/dbraw/zinc/65/18/99/938651899.db2.gz PKVJOVNKHAMSFB-SFHVURJKSA-N 0 0 417.962 4.434 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2)CC1 ZINC000538586469 938655750 /nfs/dbraw/zinc/65/57/50/938655750.db2.gz BXWJYELQFFDLDC-IBGZPJMESA-N 0 0 411.299 4.218 20 30 HIEDRN Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)nn1-c1cccc(Cl)c1 ZINC000538592648 938657481 /nfs/dbraw/zinc/65/74/81/938657481.db2.gz JYJNNXYHNCUWCB-UHFFFAOYSA-N 0 0 421.888 4.453 20 30 HIEDRN C=CCN1CC[C@@H](Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000538610737 938661080 /nfs/dbraw/zinc/66/10/80/938661080.db2.gz RPNLVEDEUWECCV-GOSISDBHSA-N 0 0 403.404 4.157 20 30 HIEDRN Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)nn1CCC#N ZINC000538620495 938663919 /nfs/dbraw/zinc/66/39/19/938663919.db2.gz KIWCDEWBIHSVGS-UHFFFAOYSA-N 0 0 418.231 4.335 20 30 HIEDRN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC000538746372 938700087 /nfs/dbraw/zinc/70/00/87/938700087.db2.gz RZUQOMJJNAMBCY-UHFFFAOYSA-N 0 0 416.378 4.160 20 30 HIEDRN C=CCc1cc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc(OC)c1O ZINC000538764245 938704691 /nfs/dbraw/zinc/70/46/91/938704691.db2.gz WJJPHDSSLYRWHY-HXUWFJFHSA-N 0 0 405.441 4.304 20 30 HIEDRN CC(C)(C)OC(=O)C1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000538778150 938707959 /nfs/dbraw/zinc/70/79/59/938707959.db2.gz MAMDAUJJOUMYLK-UHFFFAOYSA-N 0 0 424.463 4.257 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000538824991 938720700 /nfs/dbraw/zinc/72/07/00/938720700.db2.gz FECXGFHADBMVQA-UHFFFAOYSA-N 0 0 402.483 4.171 20 30 HIEDRN CCC[C@H](C#N)NC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C#N)CCC)cc2)cc1 ZINC000538827583 938720707 /nfs/dbraw/zinc/72/07/07/938720707.db2.gz JGKOBPYYDRVZOH-SZPZYZBQSA-N 0 0 402.498 4.198 20 30 HIEDRN N#Cc1ccc(NC2CC2)c(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000538825298 938720840 /nfs/dbraw/zinc/72/08/40/938720840.db2.gz CXPKWNDJVAYJTA-SFHVURJKSA-N 0 0 412.902 4.228 20 30 HIEDRN N#Cc1ccc2ncc(CNc3cccc(C[S@](=O)Cc4ccccc4)c3)n2c1 ZINC000538832474 938722015 /nfs/dbraw/zinc/72/20/15/938722015.db2.gz PKGVNKLINLMLRJ-GDLZYMKVSA-N 0 0 400.507 4.267 20 30 HIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2cc(F)c(OC)cc2c1O ZINC000538835132 938722639 /nfs/dbraw/zinc/72/26/39/938722639.db2.gz DECOHGBBQLIBSC-UHFFFAOYSA-N 0 0 406.866 4.219 20 30 HIEDRN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@](C)(C#N)CCc3ccccc3)no2)c1 ZINC000538858712 938726544 /nfs/dbraw/zinc/72/65/44/938726544.db2.gz MFTUAVVBXXCSJJ-XMMPIXPASA-N 0 0 417.465 4.101 20 30 HIEDRN COCCn1ccc2ccc(NC(=O)NCCSCc3ccccc3C#N)cc21 ZINC000538901200 938733859 /nfs/dbraw/zinc/73/38/59/938733859.db2.gz DNUYOBBWJWYDMZ-UHFFFAOYSA-N 0 0 408.527 4.214 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000538905756 938735155 /nfs/dbraw/zinc/73/51/55/938735155.db2.gz IUUGSWSMFPQUJZ-VGOFRKELSA-N 0 0 412.873 4.072 20 30 HIEDRN CN(CCc1cnccn1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000538947324 938744783 /nfs/dbraw/zinc/74/47/83/938744783.db2.gz AEGSFAOMWLLDBU-FQEVSTJZSA-N 0 0 405.889 4.492 20 30 HIEDRN Cc1nc(-c2cc3c(s2)CCN(CC(=O)N(C)C2(C#N)CCCCC2)C3)cs1 ZINC000538998471 938764669 /nfs/dbraw/zinc/76/46/69/938764669.db2.gz WKWBJHZQRUBKGO-UHFFFAOYSA-N 0 0 414.600 4.223 20 30 HIEDRN CCOC(=O)c1nc(CC)oc1NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000539002279 938765688 /nfs/dbraw/zinc/76/56/88/938765688.db2.gz FTZYBYCRTHWFKQ-UHFFFAOYSA-N 0 0 419.437 4.117 20 30 HIEDRN CCSc1nccnc1-c1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000563486040 945202150 /nfs/dbraw/zinc/20/21/50/945202150.db2.gz SMJGUEQJIFTYLG-UHFFFAOYSA-N 0 0 410.478 4.033 20 30 HIEDRN CC(=O)N[C@@H](CC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(C)cc1 ZINC000539098449 938802671 /nfs/dbraw/zinc/80/26/71/938802671.db2.gz OHVHGGVUEGCEKJ-VWLOTQADSA-N 0 0 411.505 4.417 20 30 HIEDRN CN(C)C(=O)Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000539126994 938807423 /nfs/dbraw/zinc/80/74/23/938807423.db2.gz IWHJOICQIAZAEX-UHFFFAOYSA-N 0 0 412.493 4.178 20 30 HIEDRN CCCCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000539129719 938807933 /nfs/dbraw/zinc/80/79/33/938807933.db2.gz FQUQNOZCRJTSHC-UHFFFAOYSA-N 0 0 415.925 4.147 20 30 HIEDRN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC(c2nc3ccccc3s2)C1 ZINC000539138257 938809701 /nfs/dbraw/zinc/80/97/01/938809701.db2.gz JSTAFFYUKIJVAN-LBPRGKRZSA-N 0 0 408.552 4.145 20 30 HIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539151441 938812033 /nfs/dbraw/zinc/81/20/33/938812033.db2.gz AKNVLNLEPJFJOY-RBUKOAKNSA-N 0 0 402.853 4.155 20 30 HIEDRN COc1ccc(OC)c(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000539170949 938815152 /nfs/dbraw/zinc/81/51/52/938815152.db2.gz ZUNQRRSEMDGPSI-UHFFFAOYSA-N 0 0 401.466 4.242 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000563500534 945206433 /nfs/dbraw/zinc/20/64/33/945206433.db2.gz PVQXBNYRIRRLTM-UHFFFAOYSA-N 0 0 400.360 4.440 20 30 HIEDRN C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)c2ccccc2S1 ZINC000539232347 938822819 /nfs/dbraw/zinc/82/28/19/938822819.db2.gz CIEKAPPAJHTYDE-GFCCVEGCSA-N 0 0 423.357 4.400 20 30 HIEDRN C=CC[C@H](CO)CNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F ZINC000539300182 938836835 /nfs/dbraw/zinc/83/68/35/938836835.db2.gz UMWUCUFEMVFAIH-AWEZNQCLSA-N 0 0 421.419 4.264 20 30 HIEDRN COC[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1 ZINC000539327742 938842528 /nfs/dbraw/zinc/84/25/28/938842528.db2.gz DYOUMMXRVPQBCE-IFXJQAMLSA-N 0 0 419.497 4.132 20 30 HIEDRN COC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)c(F)c1 ZINC000539327744 938842622 /nfs/dbraw/zinc/84/26/22/938842622.db2.gz DYOUMMXRVPQBCE-LIRRHRJNSA-N 0 0 419.497 4.132 20 30 HIEDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000539434361 938859920 /nfs/dbraw/zinc/85/99/20/938859920.db2.gz AINJSCRHDVDFSJ-OYHNWAKOSA-N 0 0 405.429 4.391 20 30 HIEDRN C=CCCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000539441788 938861000 /nfs/dbraw/zinc/86/10/00/938861000.db2.gz ZSAZNUCKACLSRI-AWEZNQCLSA-N 0 0 408.470 4.240 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000539458368 938863751 /nfs/dbraw/zinc/86/37/51/938863751.db2.gz RZVUNOXRZRPIGE-QGZVFWFLSA-N 0 0 401.532 4.031 20 30 HIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000539465536 938864754 /nfs/dbraw/zinc/86/47/54/938864754.db2.gz FKTKHOYLVPCWMQ-CYBMUJFWSA-N 0 0 409.317 4.038 20 30 HIEDRN N#CC1(CCCSc2nc3ccccc3c(=O)n2Cc2ccco2)CCOCC1 ZINC000539511723 938871458 /nfs/dbraw/zinc/87/14/58/938871458.db2.gz IIBLTPHCWFTZDF-UHFFFAOYSA-N 0 0 409.511 4.230 20 30 HIEDRN COC(=O)c1cc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cn1C ZINC000539538921 938875967 /nfs/dbraw/zinc/87/59/67/938875967.db2.gz XWCXHSSQTIEGFL-UHFFFAOYSA-N 0 0 408.389 4.259 20 30 HIEDRN CC1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCCCC1 ZINC000539542728 938876794 /nfs/dbraw/zinc/87/67/94/938876794.db2.gz SCIKBPABIQPPBZ-UHFFFAOYSA-N 0 0 410.518 4.499 20 30 HIEDRN Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)n(CCC#N)n1 ZINC000539543139 938876909 /nfs/dbraw/zinc/87/69/09/938876909.db2.gz ZIJVXOKIRMDTMC-UHFFFAOYSA-N 0 0 401.186 4.139 20 30 HIEDRN N#CC1(c2ccc(C(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)cc2)CC1 ZINC000539618501 938888630 /nfs/dbraw/zinc/88/86/30/938888630.db2.gz GJZXCXGGDOOJOG-GOSISDBHSA-N 0 0 410.315 4.013 20 30 HIEDRN C=CCN1CC[C@@H](Sc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)C1=O ZINC000539669606 938897856 /nfs/dbraw/zinc/89/78/56/938897856.db2.gz YUSCISOACDLXCT-LJQANCHMSA-N 0 0 408.502 4.261 20 30 HIEDRN C=CCN1CC[C@H](Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C1=O ZINC000539670267 938898167 /nfs/dbraw/zinc/89/81/67/938898167.db2.gz STYLOAGRECPZAO-IBGZPJMESA-N 0 0 408.502 4.012 20 30 HIEDRN N#CC1(CCCNc2cccc(CS(=O)(=O)C3CCCCC3)c2)CCOCC1 ZINC000539709907 938908651 /nfs/dbraw/zinc/90/86/51/938908651.db2.gz CMWKQRHBJSCUTP-UHFFFAOYSA-N 0 0 404.576 4.447 20 30 HIEDRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCCCC2(C#N)CCOCC2)c1 ZINC000539711196 938908692 /nfs/dbraw/zinc/90/86/92/938908692.db2.gz FUKXQGIUVWYMSW-UHFFFAOYSA-N 0 0 413.543 4.024 20 30 HIEDRN CCOc1ccc([C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)C(C)C)cc1OCC ZINC000539717813 938910894 /nfs/dbraw/zinc/91/08/94/938910894.db2.gz MFTZZOKEJVDYSV-NRFANRHFSA-N 0 0 413.522 4.421 20 30 HIEDRN COc1ccccc1Oc1ccc(CNC(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000539717907 938910913 /nfs/dbraw/zinc/91/09/13/938910913.db2.gz MYGUMSZCIDYUNG-UHFFFAOYSA-N 0 0 405.458 4.228 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)Nc2cc(C)n(CCC#N)n2)ccc1OCCC(C)C ZINC000539717504 938910997 /nfs/dbraw/zinc/91/09/97/938910997.db2.gz IZKATBNPRJMICR-QGZVFWFLSA-N 0 0 413.522 4.421 20 30 HIEDRN CC[C@H](C)Oc1cc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)ccn1 ZINC000539728101 938914542 /nfs/dbraw/zinc/91/45/42/938914542.db2.gz NEAXNYXFUBUPJT-RPCJCACASA-N 0 0 422.529 4.320 20 30 HIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3cc(OCC(F)F)ccn3)cc2)c1 ZINC000539754256 938922192 /nfs/dbraw/zinc/92/21/92/938922192.db2.gz OJQJFTMYLRZMIA-UHFFFAOYSA-N 0 0 409.392 4.428 20 30 HIEDRN Cn1cc(CNc2nnc(CCCc3cccs3)o2)c(-c2ccc(C#N)cc2)n1 ZINC000539760848 938926597 /nfs/dbraw/zinc/92/65/97/938926597.db2.gz IHZSJFABJSTLSX-UHFFFAOYSA-N 0 0 404.499 4.191 20 30 HIEDRN Cc1nc(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)sc1SCC#N ZINC000539776080 938932898 /nfs/dbraw/zinc/93/28/98/938932898.db2.gz DEYWJRQNNOKLIK-QMMMGPOBSA-N 0 0 417.482 4.185 20 30 HIEDRN CC1(C)CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c2ccccc21 ZINC000539899967 938972785 /nfs/dbraw/zinc/97/27/85/938972785.db2.gz LQHJLCOFAHEGAT-IBGZPJMESA-N 0 0 424.566 4.349 20 30 HIEDRN COc1ccccc1COC1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000539903400 938974299 /nfs/dbraw/zinc/97/42/99/938974299.db2.gz HPJPAQPIZOQSSK-XMMPIXPASA-N 0 0 422.525 4.178 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC000539926477 938978385 /nfs/dbraw/zinc/97/83/85/938978385.db2.gz NIFDLLBVTIBSAW-XMMPIXPASA-N 0 0 414.509 4.075 20 30 HIEDRN CCC[C@@H](C#N)NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000539927067 938978401 /nfs/dbraw/zinc/97/84/01/938978401.db2.gz JMQUKZTYDVNKHR-AWEZNQCLSA-N 0 0 412.540 4.106 20 30 HIEDRN C=CCN(C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)c1nc2c(s1)CCCC2 ZINC000539948113 938980469 /nfs/dbraw/zinc/98/04/69/938980469.db2.gz SZGONKZJNIZANH-UHFFFAOYSA-N 0 0 408.527 4.357 20 30 HIEDRN N#Cc1ccc(Oc2cccc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c2)cc1 ZINC000539962825 938981844 /nfs/dbraw/zinc/98/18/44/938981844.db2.gz ARJLDOLJHBJDAC-FQEVSTJZSA-N 0 0 411.461 4.165 20 30 HIEDRN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000539974520 939028018 /nfs/dbraw/zinc/02/80/18/939028018.db2.gz PKAMVLXQDUQOPW-KUHUBIRLSA-N 0 0 408.395 4.271 20 30 HIEDRN N#Cc1ccccc1COc1cccc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000563574971 945221329 /nfs/dbraw/zinc/22/13/29/945221329.db2.gz CSDNHWWFMHGNCK-DEOSSOPVSA-N 0 0 423.516 4.414 20 30 HIEDRN C=CCn1c(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)nnc1-c1cccnc1 ZINC000539989897 939031018 /nfs/dbraw/zinc/03/10/18/939031018.db2.gz AJNFASSHLMSNHF-UHFFFAOYSA-N 0 0 405.386 4.187 20 30 HIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000540010251 939038612 /nfs/dbraw/zinc/03/86/12/939038612.db2.gz PEBOPBZBHPMAJF-ZHRRBRCNSA-N 0 0 412.873 4.072 20 30 HIEDRN CCc1nc2ccccc2n1C1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000540055382 939052634 /nfs/dbraw/zinc/05/26/34/939052634.db2.gz IHKDOEOATOCIMT-UHFFFAOYSA-N 0 0 421.570 4.424 20 30 HIEDRN C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000540078545 939060788 /nfs/dbraw/zinc/06/07/88/939060788.db2.gz WKDYTELWVRTNMW-INIZCTEOSA-N 0 0 404.901 4.040 20 30 HIEDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000540092626 939067698 /nfs/dbraw/zinc/06/76/98/939067698.db2.gz FLGATPCNOCRBPY-QMHKHESXSA-N 0 0 417.465 4.260 20 30 HIEDRN C=CCN(C(=O)Nc1cc(I)ccc1Br)C1CC1 ZINC000540128741 939083416 /nfs/dbraw/zinc/08/34/16/939083416.db2.gz OUCPCZOXVUXVKT-UHFFFAOYSA-N 0 0 421.076 4.236 20 30 HIEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000540135059 939086243 /nfs/dbraw/zinc/08/62/43/939086243.db2.gz UPFPCPNYIAPVAS-UHFFFAOYSA-N 0 0 424.444 4.297 20 30 HIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000540196605 939121423 /nfs/dbraw/zinc/12/14/23/939121423.db2.gz AZDYPHVZXZSEMK-XMMPIXPASA-N 0 0 423.516 4.394 20 30 HIEDRN CC(C)(C)OCc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000540218491 939133822 /nfs/dbraw/zinc/13/38/22/939133822.db2.gz HKPHDEHBTNONRA-IBGZPJMESA-N 0 0 409.505 4.411 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000540251797 939168888 /nfs/dbraw/zinc/16/88/88/939168888.db2.gz BARHMADNBQRGGZ-UHFFFAOYSA-N 0 0 407.392 4.022 20 30 HIEDRN Cc1nc(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)nc2ccccc12 ZINC000540270405 939178186 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HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](CC)c2ccc(F)cc2F)cc1 ZINC000540415337 939239986 /nfs/dbraw/zinc/23/99/86/939239986.db2.gz ZVOFQICXCZXCKH-NRFANRHFSA-N 0 0 401.457 4.351 20 30 HIEDRN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000540423805 939243570 /nfs/dbraw/zinc/24/35/70/939243570.db2.gz RSTLICGCJMGJSB-KBPBESRZSA-N 0 0 412.515 4.475 20 30 HIEDRN Cc1sc(NC(=O)CN[C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c(C#N)c1C ZINC000540467160 939264033 /nfs/dbraw/zinc/26/40/33/939264033.db2.gz BPQXTNTXMOMORZ-LJQANCHMSA-N 0 0 413.543 4.156 20 30 HIEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC000540483639 939270115 /nfs/dbraw/zinc/27/01/15/939270115.db2.gz MHJAAJXUNODWJK-AWEZNQCLSA-N 0 0 408.323 4.159 20 30 HIEDRN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000540502525 939279168 /nfs/dbraw/zinc/27/91/68/939279168.db2.gz LXOZSNULPJKYSO-GXFFZTMASA-N 0 0 416.337 4.428 20 30 HIEDRN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000540505712 939280498 /nfs/dbraw/zinc/28/04/98/939280498.db2.gz SOUJNBIAYIIUSN-AOMKIAJQSA-N 0 0 411.477 4.026 20 30 HIEDRN O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)N1CCC(C(F)(F)F)CC1 ZINC000540527877 939289853 /nfs/dbraw/zinc/28/98/53/939289853.db2.gz FAOUARPDZLFIMK-UHFFFAOYSA-N 0 0 403.298 4.167 20 30 HIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1 ZINC000540534120 939293577 /nfs/dbraw/zinc/29/35/77/939293577.db2.gz GCQAGWRXLJSOIW-UHFFFAOYSA-N 0 0 408.470 4.290 20 30 HIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000540571916 939308394 /nfs/dbraw/zinc/30/83/94/939308394.db2.gz XWEGMVYHACXQRX-KDXIVRHGSA-N 0 0 411.452 4.276 20 30 HIEDRN CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540646956 939329779 /nfs/dbraw/zinc/32/97/79/939329779.db2.gz ZOQQWXYHNUGBOH-LAUBAEHRSA-N 0 0 413.880 4.482 20 30 HIEDRN COCc1nnc(-c2cccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)c2)o1 ZINC000540659715 939333065 /nfs/dbraw/zinc/33/30/65/939333065.db2.gz NSLMHFQHRKHOFX-UHFFFAOYSA-N 0 0 402.332 4.026 20 30 HIEDRN C=CCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1)c1nc(C(=O)OCC)cs1 ZINC000540730546 939351512 /nfs/dbraw/zinc/35/15/12/939351512.db2.gz JJKNFWFDDZACJX-UHFFFAOYSA-N 0 0 424.526 4.264 20 30 HIEDRN COc1cc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OCC(F)(F)F ZINC000540735392 939353212 /nfs/dbraw/zinc/35/32/12/939353212.db2.gz IUCJZBLLRYHVSC-UHFFFAOYSA-N 0 0 404.388 4.121 20 30 HIEDRN C=CCN1CC[C@H](Sc2nc3sc(-c4ccccc4)cc3c(=O)n2CC=C)C1=O ZINC000540767909 939365429 /nfs/dbraw/zinc/36/54/29/939365429.db2.gz ABQNZZLXRAFYCQ-KRWDZBQOSA-N 0 0 423.563 4.190 20 30 HIEDRN C=CCn1c(S[C@H](C(=O)OC)c2ccsc2)nc2sc(C)c(C)c2c1=O ZINC000540768932 939365985 /nfs/dbraw/zinc/36/59/85/939365985.db2.gz AACBTDFSTCGYLL-AWEZNQCLSA-N 0 0 406.554 4.329 20 30 HIEDRN CC(C)N1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540799776 939376951 /nfs/dbraw/zinc/37/69/51/939376951.db2.gz QCMKRKXUODYCAC-RBBKRZOGSA-N 0 0 415.896 4.070 20 30 HIEDRN C=CCn1c(SCC(=O)C(C)(C)C(=O)OCC)nnc1-c1ccc(Cl)cc1 ZINC000540811400 939380226 /nfs/dbraw/zinc/38/02/26/939380226.db2.gz XFNIVGXKTWHMAU-UHFFFAOYSA-N 0 0 407.923 4.035 20 30 HIEDRN Cc1cc(NC(=O)NCC2(c3ccc(Br)cc3)CCC2)nn1CCC#N ZINC000540815570 939381572 /nfs/dbraw/zinc/38/15/72/939381572.db2.gz IHCUYGRLHZYXEC-UHFFFAOYSA-N 0 0 416.323 4.111 20 30 HIEDRN C=CCN(C(=O)Nc1ccc(-c2ncco2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000540816775 939382193 /nfs/dbraw/zinc/38/21/93/939382193.db2.gz KYUIIKFQMDTMHY-MRXNPFEDSA-N 0 0 415.457 4.098 20 30 HIEDRN C=CCNC(=O)CNC(=O)Nc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1C ZINC000540817174 939382419 /nfs/dbraw/zinc/38/24/19/939382419.db2.gz LPDRMVIAODECEZ-UHFFFAOYSA-N 0 0 423.492 4.155 20 30 HIEDRN COc1cc2c(cc1F)CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 ZINC000540834812 939388913 /nfs/dbraw/zinc/38/89/13/939388913.db2.gz BVZCRUUSJQPZCZ-HNNXBMFYSA-N 0 0 413.518 4.083 20 30 HIEDRN Cc1cc(N(CCC#N)C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)ccc1Cl ZINC000540859477 939398437 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CCCCc1ccc([C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(C)C)cc1 ZINC000540967501 939421778 /nfs/dbraw/zinc/42/17/78/939421778.db2.gz FTTWAGFOFOJPRP-NRFANRHFSA-N 0 0 410.566 4.177 20 30 HIEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000540979322 939423407 /nfs/dbraw/zinc/42/34/07/939423407.db2.gz LSOUZWFDNOYOOI-CHWSQXEVSA-N 0 0 409.387 4.373 20 30 HIEDRN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000540979984 939424134 /nfs/dbraw/zinc/42/41/34/939424134.db2.gz QZEWQPJANMZQQZ-SIKLNZKXSA-N 0 0 419.460 4.233 20 30 HIEDRN COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000540979422 939424195 /nfs/dbraw/zinc/42/41/95/939424195.db2.gz NMKOGFLTBHDQHD-INIZCTEOSA-N 0 0 421.476 4.234 20 30 HIEDRN CCOCCOc1ccc(Br)cc1NC(=O)N1CCC(CC#N)CC1 ZINC000541032135 939436064 /nfs/dbraw/zinc/43/60/64/939436064.db2.gz PAHRHPNFEHUTDP-UHFFFAOYSA-N 0 0 410.312 4.022 20 30 HIEDRN N#CCCCOc1cccc(NC(=O)C(=O)NC2CCC(c3ccc(F)cc3)CC2)c1 ZINC000541040928 939438518 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C=CCOc1ccccc1CNC(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541102408 939460714 /nfs/dbraw/zinc/46/07/14/939460714.db2.gz FDPZFLJXYZBKOD-INIZCTEOSA-N 0 0 408.424 4.013 20 30 HIEDRN CC1=NN(c2ccc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cc2)CC1 ZINC000541109104 939463318 /nfs/dbraw/zinc/46/33/18/939463318.db2.gz BRZGODWDPKMNPP-UHFFFAOYSA-N 0 0 404.861 4.236 20 30 HIEDRN CCn1nc(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(=O)c2ccccc21 ZINC000541110046 939463658 /nfs/dbraw/zinc/46/36/58/939463658.db2.gz WSVRHMCSOHZGKH-KRWDZBQOSA-N 0 0 422.488 4.446 20 30 HIEDRN C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541109586 939463703 /nfs/dbraw/zinc/46/37/03/939463703.db2.gz QOYQZSTUIOBEBJ-HTAPYJJXSA-N 0 0 401.510 4.194 20 30 HIEDRN N#Cc1ccc(OCC(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1 ZINC000541111552 939463988 /nfs/dbraw/zinc/46/39/88/939463988.db2.gz FUPLDFKVVJHQOE-INIZCTEOSA-N 0 0 418.293 4.255 20 30 HIEDRN CCN(CC)C(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC000541112354 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N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)n2)c1 ZINC000541233280 939486818 /nfs/dbraw/zinc/48/68/18/939486818.db2.gz RIVIEXCKKOKMNH-UHFFFAOYSA-N 0 0 424.342 4.065 20 30 HIEDRN C=CC[C@@H](CC)NC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000541250916 939487672 /nfs/dbraw/zinc/48/76/72/939487672.db2.gz FRWGRSFWHWAEPG-OXQOHEQNSA-N 0 0 422.497 4.112 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000541257646 939487992 /nfs/dbraw/zinc/48/79/92/939487992.db2.gz NHJDQNWDKBLZTN-OAHLLOKOSA-N 0 0 422.510 4.146 20 30 HIEDRN CCOC(=O)c1cn(C)nc1NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000541270149 939488595 /nfs/dbraw/zinc/48/85/95/939488595.db2.gz QSJNJMPMCJUKFS-UHFFFAOYSA-N 0 0 424.844 4.166 20 30 HIEDRN COc1ccc(-n2c(SCc3ccc(CC#N)cc3)nnc2-c2cnccn2)cc1 ZINC000541286686 939489368 /nfs/dbraw/zinc/48/93/68/939489368.db2.gz MBCZZIXXNRNNBE-UHFFFAOYSA-N 0 0 414.494 4.091 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC000541352658 939495489 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C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000541592463 939562210 /nfs/dbraw/zinc/56/22/10/939562210.db2.gz JDCZSWXWESQSCX-HWPZZCPQSA-N 0 0 411.311 4.117 20 30 HIEDRN N#Cc1ccc(Cc2cnc(NC(=O)Cc3cc(Cl)cc4c3OCC4)s2)cc1 ZINC000541682947 939600831 /nfs/dbraw/zinc/60/08/31/939600831.db2.gz ZJEQGOJOXOHKBY-UHFFFAOYSA-N 0 0 409.898 4.375 20 30 HIEDRN CCc1ccc(-c2noc([C@H](C)NCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 ZINC000541688969 939603504 /nfs/dbraw/zinc/60/35/04/939603504.db2.gz AXANLODLJYHCEK-ZDUSSCGKSA-N 0 0 409.877 4.113 20 30 HIEDRN CCc1ccc(-c2noc([C@@H](C)NCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 ZINC000541688968 939603573 /nfs/dbraw/zinc/60/35/73/939603573.db2.gz AXANLODLJYHCEK-CYBMUJFWSA-N 0 0 409.877 4.113 20 30 HIEDRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN[C@@H](C)c3nnc(C)o3)sc2C1 ZINC000541689239 939604147 /nfs/dbraw/zinc/60/41/47/939604147.db2.gz VXSZSDDAKVJFJW-GXTWGEPZSA-N 0 0 415.563 4.142 20 30 HIEDRN C[C@H](NCC#Cc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541691971 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COCCOc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000542298848 939789805 /nfs/dbraw/zinc/78/98/05/939789805.db2.gz QBOYMEYHZQVOSP-IRXDYDNUSA-N 0 0 415.287 4.088 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCCn2c3ccccc3c3ccccc32)ccc1Cl ZINC000542326649 939800889 /nfs/dbraw/zinc/80/08/89/939800889.db2.gz GRFYNBFOFFRTOJ-UHFFFAOYSA-N 0 0 416.868 4.074 20 30 HIEDRN CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000542330493 939801744 /nfs/dbraw/zinc/80/17/44/939801744.db2.gz FZOMTTPNTCHFIG-FQEVSTJZSA-N 0 0 419.525 4.165 20 30 HIEDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)c1 ZINC000542335637 939802379 /nfs/dbraw/zinc/80/23/79/939802379.db2.gz YVSQSOQHSWIFPH-MRXNPFEDSA-N 0 0 415.415 4.149 20 30 HIEDRN Cc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(Sc2ccccc2)c1 ZINC000542336156 939802678 /nfs/dbraw/zinc/80/26/78/939802678.db2.gz GDRZOWHCJDTRBT-UHFFFAOYSA-N 0 0 414.534 4.375 20 30 HIEDRN C[C@@]1(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO[C@H]1C1CC1 ZINC000542349881 939805114 /nfs/dbraw/zinc/80/51/14/939805114.db2.gz ONUGJRJKFKKRED-LADGPHEKSA-N 0 0 405.498 4.411 20 30 HIEDRN N#Cc1ccc(CN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C2CC2)cc1 ZINC000542356611 939806707 /nfs/dbraw/zinc/80/67/07/939806707.db2.gz UOILRJOPOIJNEL-UHFFFAOYSA-N 0 0 410.905 4.245 20 30 HIEDRN Cc1cn(C2CCCCC2)nc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000542364170 939808256 /nfs/dbraw/zinc/80/82/56/939808256.db2.gz GVHJKTOQXTWNPH-UHFFFAOYSA-N 0 0 420.561 4.308 20 30 HIEDRN N#Cc1ccc(OCc2cccc(C(=O)Nc3ncn(C4CCCCC4)n3)c2)cc1 ZINC000542370934 939809189 /nfs/dbraw/zinc/80/91/89/939809189.db2.gz YDDLURMYZGHEKX-UHFFFAOYSA-N 0 0 401.470 4.486 20 30 HIEDRN COc1cc([C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1OC ZINC000542420923 939818999 /nfs/dbraw/zinc/81/89/99/939818999.db2.gz FHXUZMCCRUFXIE-OAHLLOKOSA-N 0 0 409.486 4.019 20 30 HIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000542464496 939827479 /nfs/dbraw/zinc/82/74/79/939827479.db2.gz WXJGZEIIZVCGEH-CQSZACIVSA-N 0 0 417.893 4.075 20 30 HIEDRN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)c1C ZINC000542535351 939839458 /nfs/dbraw/zinc/83/94/58/939839458.db2.gz MHCCIAPOKGHIFX-UHFFFAOYSA-N 0 0 408.845 4.135 20 30 HIEDRN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000542568129 939844691 /nfs/dbraw/zinc/84/46/91/939844691.db2.gz FKIGTYHUAQFMKH-SFHVURJKSA-N 0 0 418.497 4.338 20 30 HIEDRN COC1CCC(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000542641931 939851068 /nfs/dbraw/zinc/85/10/68/939851068.db2.gz IESCIOCBMSPZRM-UHFFFAOYSA-N 0 0 421.497 4.001 20 30 HIEDRN COc1cc(CNC[C@H](C)C#N)ccc1OCCOc1cccc(Br)c1 ZINC000542695799 939854968 /nfs/dbraw/zinc/85/49/68/939854968.db2.gz FBJFSHUXAGQYDQ-OAHLLOKOSA-N 0 0 419.319 4.165 20 30 HIEDRN CCC(C)(C)c1ccc(S(=O)(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1 ZINC000542746924 939858777 /nfs/dbraw/zinc/85/87/77/939858777.db2.gz WPNDGZMJPTYHGU-UHFFFAOYSA-N 0 0 408.527 4.114 20 30 HIEDRN C=CCOc1c(Br)cc(CNc2ccc(C(=O)OC)nc2)cc1OCC ZINC000542752555 939859109 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N#CCC1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000542880269 939864931 /nfs/dbraw/zinc/86/49/31/939864931.db2.gz APHTXTDJDLYKLN-UHFFFAOYSA-N 0 0 404.230 4.032 20 30 HIEDRN N#CCC1CCN(C(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000542904452 939875695 /nfs/dbraw/zinc/87/56/95/939875695.db2.gz SOWIIUMREPIFAS-UHFFFAOYSA-N 0 0 419.569 4.285 20 30 HIEDRN N#CC1(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4C(F)(F)F)C3)cc2)CC1 ZINC000542907177 939876123 /nfs/dbraw/zinc/87/61/23/939876123.db2.gz HYRYIJDNVPANQI-LJQANCHMSA-N 0 0 400.400 4.474 20 30 HIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000542922715 939878049 /nfs/dbraw/zinc/87/80/49/939878049.db2.gz LLRYMADGYMEUKQ-SFHVURJKSA-N 0 0 405.498 4.316 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)c(F)c1 ZINC000542927594 939879547 /nfs/dbraw/zinc/87/95/47/939879547.db2.gz LMDXEQIMMASIBL-UHFFFAOYSA-N 0 0 412.428 4.198 20 30 HIEDRN C[C@H](NC(=O)Cn1cc(Br)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542927995 939879577 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20 30 HIEDRN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1(C)C ZINC000543889933 940227853 /nfs/dbraw/zinc/22/78/53/940227853.db2.gz WRDOJUVVDRYESX-SJORKVTESA-N 0 0 401.898 4.065 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)NCc3csc(-c4ccco4)n3)n2)c(Cl)c1 ZINC000543891091 940228802 /nfs/dbraw/zinc/22/88/02/940228802.db2.gz VSRODAXDAGANTR-UHFFFAOYSA-N 0 0 424.873 4.436 20 30 HIEDRN C[C@@H](OCCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccccc1 ZINC000543890338 940229007 /nfs/dbraw/zinc/22/90/07/940229007.db2.gz HPOCUVJLXVPHJY-MRXNPFEDSA-N 0 0 407.449 4.172 20 30 HIEDRN CN(Cc1ccc(F)cc1F)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543892934 940229464 /nfs/dbraw/zinc/22/94/64/940229464.db2.gz RYQDLSMCCIUMNO-UHFFFAOYSA-N 0 0 401.804 4.339 20 30 HIEDRN N#Cc1ccc(-n2ccc(NC(=O)c3ccc(F)cc3OC(F)F)n2)c(Cl)c1 ZINC000543896468 940231414 /nfs/dbraw/zinc/23/14/14/940231414.db2.gz NOWJMFKGXFAEFA-UHFFFAOYSA-N 0 0 406.751 4.390 20 30 HIEDRN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543898576 940232636 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USFUNAJDAUFWQZ-MRXNPFEDSA-N 0 0 401.441 4.489 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543921845 940247293 /nfs/dbraw/zinc/24/72/93/940247293.db2.gz IUZVMVWMMYVSPC-AWEZNQCLSA-N 0 0 405.404 4.319 20 30 HIEDRN CSc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 ZINC000543923432 940248029 /nfs/dbraw/zinc/24/80/29/940248029.db2.gz PDETVKSXEQFEOJ-OAHLLOKOSA-N 0 0 416.506 4.158 20 30 HIEDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543924152 940248372 /nfs/dbraw/zinc/24/83/72/940248372.db2.gz KOEGYKAXMUHQFC-QGZVFWFLSA-N 0 0 412.493 4.107 20 30 HIEDRN CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000543925637 940248379 /nfs/dbraw/zinc/24/83/79/940248379.db2.gz HOBCWZLKFPYEKM-UHFFFAOYSA-N 0 0 422.876 4.180 20 30 HIEDRN CC(C)c1noc2ncc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cc21 ZINC000543925695 940248634 /nfs/dbraw/zinc/24/86/34/940248634.db2.gz KAYQSMZLOKVWOM-UHFFFAOYSA-N 0 0 406.833 4.309 20 30 HIEDRN C[C@@H](NC(=O)NCCCc1nnc2ccccn21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543933972 940252665 /nfs/dbraw/zinc/25/26/65/940252665.db2.gz AZLQPSJFUGUYNO-GOSISDBHSA-N 0 0 424.508 4.261 20 30 HIEDRN C[C@H](NC(=O)NCCCOC[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543936410 940254064 /nfs/dbraw/zinc/25/40/64/940254064.db2.gz SXIJLGQVSMKEOB-MBSDFSHPSA-N 0 0 407.514 4.171 20 30 HIEDRN Cc1ccnc(OC2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000543946635 940260001 /nfs/dbraw/zinc/26/00/01/940260001.db2.gz MZBWNLVIJSWIAT-UHFFFAOYSA-N 0 0 417.431 4.013 20 30 HIEDRN Cc1cc(N(C)Cc2cccc(C#N)c2)nc([C@@H](C)N(C)Cc2cccc(C#N)c2)n1 ZINC000543947091 940260628 /nfs/dbraw/zinc/26/06/28/940260628.db2.gz LDUMMVIXANWJQD-LJQANCHMSA-N 0 0 410.525 4.358 20 30 HIEDRN COCCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000543947311 940260807 /nfs/dbraw/zinc/26/08/07/940260807.db2.gz VGXDDJJIBJAQBE-JTQLQIEISA-N 0 0 412.252 4.273 20 30 HIEDRN C=CCN(Cc1cc(Br)ccc1F)Cc1nc(N)c2ccccc2n1 ZINC000543957065 940269113 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N#Cc1ccc(OCc2ccc(-c3nc(-c4cccnc4-n4cccn4)no3)o2)cc1 ZINC000544158065 940339799 /nfs/dbraw/zinc/33/97/99/940339799.db2.gz QDYDGGXIBLRNTC-UHFFFAOYSA-N 0 0 410.393 4.028 20 30 HIEDRN CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000544157698 940339851 /nfs/dbraw/zinc/33/98/51/940339851.db2.gz AAOLQLJAMDPDSF-HXUWFJFHSA-N 0 0 417.509 4.085 20 30 HIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000544227693 940360762 /nfs/dbraw/zinc/36/07/62/940360762.db2.gz NCOQLOJVKSSMAQ-JOCHJYFZSA-N 0 0 420.557 4.040 20 30 HIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(Br)cc1F ZINC000544227587 940360782 /nfs/dbraw/zinc/36/07/82/940360782.db2.gz KPNLTGRMABUIEM-UHFFFAOYSA-N 0 0 408.227 4.129 20 30 HIEDRN CC(C)CC(=O)Nc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000544243971 940366153 /nfs/dbraw/zinc/36/61/53/940366153.db2.gz CVZDHKSCDIGTHZ-UHFFFAOYSA-N 0 0 404.514 4.417 20 30 HIEDRN Cc1cc(C)n(-c2ccc(CCNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)n1 ZINC000544299037 940383558 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HIEDRN C[C@@H](Oc1ccc(C#N)cc1)c1nc(Cc2ccn(-c3c(F)cccc3F)n2)no1 ZINC000545118103 940544459 /nfs/dbraw/zinc/54/44/59/940544459.db2.gz BLYIONYIZNEDKV-CYBMUJFWSA-N 0 0 407.380 4.136 20 30 HIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOC2(CCOCC2)CC1 ZINC000545276712 940559895 /nfs/dbraw/zinc/55/98/95/940559895.db2.gz YZFKKHGKTZVFFI-UHFFFAOYSA-N 0 0 421.497 4.462 20 30 HIEDRN COc1cccc(Oc2ncccc2CNC(=O)Nc2ccc(C#N)cc2OC)c1 ZINC000545295175 940560480 /nfs/dbraw/zinc/56/04/80/940560480.db2.gz GVEAHQRYFTWHHI-UHFFFAOYSA-N 0 0 404.426 4.084 20 30 HIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000563967668 945332218 /nfs/dbraw/zinc/33/22/18/945332218.db2.gz VWZKQCUFCYISCZ-JOCHJYFZSA-N 0 0 417.509 4.031 20 30 HIEDRN CCO[C@@H]1COCC[C@@H]1NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000545422778 940569124 /nfs/dbraw/zinc/56/91/24/940569124.db2.gz APVCYIOFSWGHDD-HLAWJBBLSA-N 0 0 413.905 4.311 20 30 HIEDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@]12CCCO2 ZINC000545424438 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C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000554699495 942204358 /nfs/dbraw/zinc/20/43/58/942204358.db2.gz VUEDZENKPIYAJV-MRXNPFEDSA-N 0 0 419.447 4.366 20 30 HIEDRN N#Cc1ccc(CS(=O)(=O)N2CCC(c3cccc(Br)c3)CC2)cc1 ZINC000554708321 942206532 /nfs/dbraw/zinc/20/65/32/942206532.db2.gz NEDLCSQQZMOGBL-UHFFFAOYSA-N 0 0 419.344 4.030 20 30 HIEDRN COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000554763104 942226372 /nfs/dbraw/zinc/22/63/72/942226372.db2.gz YOVLKVVUESBUKG-UHFFFAOYSA-N 0 0 407.289 4.312 20 30 HIEDRN C=CCNC(=O)c1cccc(-c2noc(CCCSc3ccc(OC)cc3)n2)c1 ZINC000554803283 942248026 /nfs/dbraw/zinc/24/80/26/942248026.db2.gz HMIMFEOELUXGPM-UHFFFAOYSA-N 0 0 409.511 4.386 20 30 HIEDRN N#Cc1ccc(N2CC[C@H](c3nc(-c4ccnc(C(F)(F)F)c4)no3)C2)c(F)c1 ZINC000554845519 942282870 /nfs/dbraw/zinc/28/28/70/942282870.db2.gz MCWQNFQQIKGNHZ-ZDUSSCGKSA-N 0 0 403.339 4.155 20 30 HIEDRN CC(C)(c1nc([C@@H](NC(=O)c2ccccc2)C2CC2)no1)c1cc(F)cc(C#N)c1 ZINC000554845081 942283307 /nfs/dbraw/zinc/28/33/07/942283307.db2.gz CHUBACOOSJPTPB-IBGZPJMESA-N 0 0 404.445 4.287 20 30 HIEDRN C=CCn1c(CNC(=O)c2cccs2)nnc1N(Cc1cccc(F)c1)C(C)C ZINC000554921547 942320260 /nfs/dbraw/zinc/32/02/60/942320260.db2.gz YZYXXHKUPVEELQ-UHFFFAOYSA-N 0 0 413.522 4.010 20 30 HIEDRN C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000554926289 942322165 /nfs/dbraw/zinc/32/21/65/942322165.db2.gz KWOZOJLOXDFFRI-NRFANRHFSA-N 0 0 422.554 4.348 20 30 HIEDRN CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 ZINC000554962440 942335650 /nfs/dbraw/zinc/33/56/50/942335650.db2.gz RSQIKCOOXUETJD-OAHLLOKOSA-N 0 0 420.900 4.978 20 30 HIEDRN CC(C)C(=O)c1ccc([C@H](C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000554963022 942335685 /nfs/dbraw/zinc/33/56/85/942335685.db2.gz FPFBBZARQSZLOB-YTXWROIDSA-N 0 0 419.525 4.402 20 30 HIEDRN N#Cc1ccc(CNc2ccn(-c3ncccc3C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000554972019 942338340 /nfs/dbraw/zinc/33/83/40/942338340.db2.gz SUOBYSJJEKPAOZ-UHFFFAOYSA-N 0 0 411.309 4.789 20 30 HIEDRN C=CCn1c(S[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)nnc1-c1cccnc1 ZINC000555006572 942352609 /nfs/dbraw/zinc/35/26/09/942352609.db2.gz RJZKJSDTLYSPKS-BEFAXECRSA-N 0 0 423.517 4.119 20 30 HIEDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000555012297 942355979 /nfs/dbraw/zinc/35/59/79/942355979.db2.gz ULRKBTQPWSCRFS-UHFFFAOYSA-N 0 0 413.865 4.036 20 30 HIEDRN C=CCc1cc(CNC(=O)Nc2ccc(OC(F)F)cc2F)cc(OC)c1OC ZINC000555023059 942360474 /nfs/dbraw/zinc/36/04/74/942360474.db2.gz BHHAMMZBGLAONE-UHFFFAOYSA-N 0 0 410.392 4.495 20 30 HIEDRN COC(=O)c1c(F)cc(NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1F ZINC000555027156 942362133 /nfs/dbraw/zinc/36/21/33/942362133.db2.gz SDUQTJHFTVWFSX-CQSZACIVSA-N 0 0 424.272 4.455 20 30 HIEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000555070337 942376037 /nfs/dbraw/zinc/37/60/37/942376037.db2.gz BPICGJMBMSNHHJ-KSFYIVLOSA-N 0 0 401.432 4.171 20 30 HIEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000555070342 942376095 /nfs/dbraw/zinc/37/60/95/942376095.db2.gz BPICGJMBMSNHHJ-ZHRRBRCNSA-N 0 0 401.432 4.171 20 30 HIEDRN Cc1nsc(N2CCN(C(=O)CCCCCO[C@H]3CCC[C@H](C)C3)CC2)c1C#N ZINC000555073762 942377166 /nfs/dbraw/zinc/37/71/66/942377166.db2.gz KLAYDVDJAVOLEE-HKUYNNGSSA-N 0 0 418.607 4.128 20 30 HIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000555084193 942381365 /nfs/dbraw/zinc/38/13/65/942381365.db2.gz NTHZKPPNYSHILF-UHFFFAOYSA-N 0 0 403.461 4.075 20 30 HIEDRN N#Cc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C(F)(F)F)c1 ZINC000555094093 942383709 /nfs/dbraw/zinc/38/37/09/942383709.db2.gz DDRUTYNRAAFYDS-UHFFFAOYSA-N 0 0 407.823 4.188 20 30 HIEDRN N#Cc1cc(Oc2ccc(NCc3cc(=O)n4cc(Cl)ccc4n3)cc2)ccn1 ZINC000555128368 942394969 /nfs/dbraw/zinc/39/49/69/942394969.db2.gz HCHISOAVJMVUOZ-UHFFFAOYSA-N 0 0 403.829 4.019 20 30 HIEDRN COc1cc2c(cc1OC)CN(C(=O)CCCNc1c(Cl)cccc1C#N)CC2 ZINC000555134330 942398277 /nfs/dbraw/zinc/39/82/77/942398277.db2.gz APZQCMHLEQIJBR-UHFFFAOYSA-N 0 0 413.905 4.006 20 30 HIEDRN COc1cc(CNC(=O)N(C)Cc2cc(Br)ccc2Cl)ccc1C#N ZINC000555167566 942413733 /nfs/dbraw/zinc/41/37/33/942413733.db2.gz HFBIGSQMOCPBGP-UHFFFAOYSA-N 0 0 422.710 4.324 20 30 HIEDRN CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 ZINC000555180285 942419827 /nfs/dbraw/zinc/41/98/27/942419827.db2.gz KFWKEMQEMDUBAJ-NRFANRHFSA-N 0 0 401.514 4.116 20 30 HIEDRN CC(C)(C)c1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2)cc1 ZINC000555179781 942419847 /nfs/dbraw/zinc/41/98/47/942419847.db2.gz VVFVVCLTDWUDDN-NRFANRHFSA-N 0 0 401.514 4.020 20 30 HIEDRN N#Cc1ccc(-c2nnc(N3CCC(OCC4CC4)CC3)n2Cc2ccccc2)cc1 ZINC000555180715 942420253 /nfs/dbraw/zinc/42/02/53/942420253.db2.gz MZZCVUDFBOQFLB-UHFFFAOYSA-N 0 0 413.525 4.260 20 30 HIEDRN CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)cc1OC ZINC000555190063 942424383 /nfs/dbraw/zinc/42/43/83/942424383.db2.gz WEGKJMIULIYPNB-UHFFFAOYSA-N 0 0 417.513 4.141 20 30 HIEDRN C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1ccccc1 ZINC000555199515 942428074 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C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC2(C1)CCOCC2 ZINC000555241405 942443267 /nfs/dbraw/zinc/44/32/67/942443267.db2.gz NBVBPGZIBGGYBT-UHFFFAOYSA-N 0 0 402.926 4.094 20 30 HIEDRN C=C(C)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000555249566 942446045 /nfs/dbraw/zinc/44/60/45/942446045.db2.gz RPGWJBKSRNKIJR-SFHVURJKSA-N 0 0 419.367 4.393 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000555250622 942446138 /nfs/dbraw/zinc/44/61/38/942446138.db2.gz PATSEDLTNQVRGM-INIZCTEOSA-N 0 0 421.250 4.332 20 30 HIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000555248987 942446166 /nfs/dbraw/zinc/44/61/66/942446166.db2.gz YXNABJLHCWMZCF-CPJSRVTESA-N 0 0 424.589 4.453 20 30 HIEDRN C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC000555253058 942447725 /nfs/dbraw/zinc/44/77/25/942447725.db2.gz WKXWIPICHGHOJC-RUZDIDTESA-N 0 0 411.509 4.419 20 30 HIEDRN C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C(=O)NCCC)CC1 ZINC000555253088 942448025 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423.605 4.385 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](COCC)C1 ZINC000555260761 942451351 /nfs/dbraw/zinc/45/13/51/942451351.db2.gz JURFQZIHPSWYJJ-MSOLQXFVSA-N 0 0 402.514 4.386 20 30 HIEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000555265072 942454188 /nfs/dbraw/zinc/45/41/88/942454188.db2.gz DLGZDMRYFYZPAG-JOCHJYFZSA-N 0 0 421.589 4.330 20 30 HIEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000555265900 942454398 /nfs/dbraw/zinc/45/43/98/942454398.db2.gz RBKLMUNOJIBVML-SFHVURJKSA-N 0 0 415.545 4.114 20 30 HIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000555267405 942455355 /nfs/dbraw/zinc/45/53/55/942455355.db2.gz YNMZXHBWYDSFKK-LJQANCHMSA-N 0 0 419.529 4.220 20 30 HIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(OCCCOC)CC1 ZINC000555269554 942455818 /nfs/dbraw/zinc/45/58/18/942455818.db2.gz PPEFJTDMAAKJKR-UHFFFAOYSA-N 0 0 421.545 4.091 20 30 HIEDRN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 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C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC[C@H](CNC(=O)CCC)C1 ZINC000555289158 942463287 /nfs/dbraw/zinc/46/32/87/942463287.db2.gz KSENCADQKZMYDB-QGZVFWFLSA-N 0 0 401.580 4.024 20 30 HIEDRN N#CCc1ccc(Oc2ccc(C(=O)Nc3cn(Cc4ccccc4)nn3)cc2)cc1 ZINC000555290204 942463354 /nfs/dbraw/zinc/46/33/54/942463354.db2.gz YGFSQAQZRPKQJN-UHFFFAOYSA-N 0 0 409.449 4.437 20 30 HIEDRN C=C(C)Cn1c(-c2sccc2C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC000555290495 942464311 /nfs/dbraw/zinc/46/43/11/942464311.db2.gz JUHQVGAZGCTIHE-MHZLTWQESA-N 0 0 400.573 4.265 20 30 HIEDRN C=C1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCOCC)CC1 ZINC000555308464 942470572 /nfs/dbraw/zinc/47/05/72/942470572.db2.gz RKXDIMOLXMGMOC-UHFFFAOYSA-N 0 0 405.340 4.291 20 30 HIEDRN CC1(C#N)CCN(c2nnc(Cc3ccc4ccccc4c3)n2C[C@H]2CCCO2)CC1 ZINC000555373670 942501713 /nfs/dbraw/zinc/50/17/13/942501713.db2.gz SFFSAVXDQFGQLO-JOCHJYFZSA-N 0 0 415.541 4.331 20 30 HIEDRN CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](n2ncc3ccccc32)C1 ZINC000555389663 942509192 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C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555510926 942614452 /nfs/dbraw/zinc/61/44/52/942614452.db2.gz ZLXOEOSAKPHIQM-JTQLQIEISA-N 0 0 412.209 4.096 20 30 HIEDRN CC(C)(C)C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(F)cc1 ZINC000555538991 942632929 /nfs/dbraw/zinc/63/29/29/942632929.db2.gz PPFFZONKBBHVQI-HXUWFJFHSA-N 0 0 409.509 4.101 20 30 HIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H]2CCc3c2cccc3Cl)c1C#N ZINC000555873869 942761962 /nfs/dbraw/zinc/76/19/62/942761962.db2.gz WKIXMXMAEPEHOY-MRXNPFEDSA-N 0 0 401.919 4.313 20 30 HIEDRN C[C@H](NC(=O)C(=O)Nc1sccc1C#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000555872662 942762212 /nfs/dbraw/zinc/76/22/12/942762212.db2.gz OACHJINLMXBKDK-ZDUSSCGKSA-N 0 0 409.442 4.367 20 30 HIEDRN C=CCSc1ccccc1NC(=O)CN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000555879186 942762913 /nfs/dbraw/zinc/76/29/13/942762913.db2.gz WCARJJBDERTUMQ-UHFFFAOYSA-N 0 0 417.962 4.495 20 30 HIEDRN N#Cc1ccc(OC2CCC(NC(=O)C3(Oc4ccc(Cl)cc4)CC3)CC2)nc1 ZINC000555928808 942774281 /nfs/dbraw/zinc/77/42/81/942774281.db2.gz SUGZYAALVHMYQY-UHFFFAOYSA-N 0 0 411.889 4.024 20 30 HIEDRN CC(C)S(=O)(=O)c1ccc(COc2c(Br)cccc2CC#N)cc1 ZINC000555955485 942778553 /nfs/dbraw/zinc/77/85/53/942778553.db2.gz CATAOSVKYSZOSU-UHFFFAOYSA-N 0 0 408.317 4.276 20 30 HIEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2ccc(Br)cc2O)cc1 ZINC000555980835 942782751 /nfs/dbraw/zinc/78/27/51/942782751.db2.gz TZPRSHMMPCJRAL-QGZVFWFLSA-N 0 0 401.304 4.376 20 30 HIEDRN COc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)sc1Br ZINC000556049153 942795909 /nfs/dbraw/zinc/79/59/09/942795909.db2.gz RWQMPCUUKMISLP-ZIAGYGMSSA-N 0 0 405.317 4.431 20 30 HIEDRN C=C(C)COc1cccc(NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000556139288 942810181 /nfs/dbraw/zinc/81/01/81/942810181.db2.gz FGLOJQKDRQZBJN-UHFFFAOYSA-N 0 0 407.514 4.330 20 30 HIEDRN N#Cc1ccsc1NC(=O)C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000556185834 942815680 /nfs/dbraw/zinc/81/56/80/942815680.db2.gz OUVZDHNPDKGNJM-UHFFFAOYSA-N 0 0 413.808 4.036 20 30 HIEDRN COCCCOc1ccc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)cc1 ZINC000556327755 942842403 /nfs/dbraw/zinc/84/24/03/942842403.db2.gz WTKMYAURBLKOHV-UHFFFAOYSA-N 0 0 404.348 4.104 20 30 HIEDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)n1 ZINC000556352023 942848245 /nfs/dbraw/zinc/84/82/45/942848245.db2.gz JZUKEPDJYLHFOH-CQSZACIVSA-N 0 0 413.403 4.266 20 30 HIEDRN N#Cc1cccc(C2(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000556394921 942856056 /nfs/dbraw/zinc/85/60/56/942856056.db2.gz DXEOUONMCGTUAD-UHFFFAOYSA-N 0 0 400.809 4.198 20 30 HIEDRN CCN(C(=O)c1ccc(F)c(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000556414152 942860249 /nfs/dbraw/zinc/86/02/49/942860249.db2.gz VKICBDXYWRXOPR-UHFFFAOYSA-N 0 0 409.509 4.050 20 30 HIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000556420110 942861880 /nfs/dbraw/zinc/86/18/80/942861880.db2.gz UOFHMBLBVOUTEG-UHFFFAOYSA-N 0 0 402.435 4.453 20 30 HIEDRN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CCC2 ZINC000556437112 942866574 /nfs/dbraw/zinc/86/65/74/942866574.db2.gz UWFCKIXTTXASBG-GOSISDBHSA-N 0 0 401.388 4.018 20 30 HIEDRN Cc1cc(-c2ncccc2NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cs1 ZINC000556455814 942872561 /nfs/dbraw/zinc/87/25/61/942872561.db2.gz IBKLBWSJFUOIFK-UHFFFAOYSA-N 0 0 407.499 4.142 20 30 HIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CC3CCC2CC3)cc1F ZINC000556612163 942915840 /nfs/dbraw/zinc/91/58/40/942915840.db2.gz FXLAYEOVZGAHBW-ZOJXTTQQSA-N 0 0 407.445 4.123 20 30 HIEDRN N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 ZINC000556625283 942920131 /nfs/dbraw/zinc/92/01/31/942920131.db2.gz ZQEKKJWALQYGDP-HSZRJFAPSA-N 0 0 412.493 4.162 20 30 HIEDRN N#Cc1cc(NC(=O)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000556647197 942926122 /nfs/dbraw/zinc/92/61/22/942926122.db2.gz GMFBKWALWWSPFW-HNNXBMFYSA-N 0 0 409.795 4.003 20 30 HIEDRN CC[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)Oc1cccc(C)c1 ZINC000556887924 942952398 /nfs/dbraw/zinc/95/23/98/942952398.db2.gz OOCMLLVKOKECAB-HXUWFJFHSA-N 0 0 409.505 4.196 20 30 HIEDRN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000556941696 942974511 /nfs/dbraw/zinc/97/45/11/942974511.db2.gz CWAXAUKYIJLTEK-LBPRGKRZSA-N 0 0 419.269 4.378 20 30 HIEDRN CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000556981392 942986798 /nfs/dbraw/zinc/98/67/98/942986798.db2.gz ZICFCVZVHGKLHD-DLBZAZTESA-N 0 0 403.404 4.290 20 30 HIEDRN C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc2ncsc2c1 ZINC000556981379 942987224 /nfs/dbraw/zinc/98/72/24/942987224.db2.gz ZECLOJVAPJREFI-CQSZACIVSA-N 0 0 408.502 4.401 20 30 HIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N(CC)CC)CC1 ZINC000556984415 942987643 /nfs/dbraw/zinc/98/76/43/942987643.db2.gz JUXOKKCSXXAACG-UHFFFAOYSA-N 0 0 415.969 4.259 20 30 HIEDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000557007448 942993175 /nfs/dbraw/zinc/99/31/75/942993175.db2.gz UGOMEMCOEZAASG-VWLOTQADSA-N 0 0 423.532 4.104 20 30 HIEDRN Cc1ccc([C@@]2(C)CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)cc1 ZINC000557032793 942999890 /nfs/dbraw/zinc/99/98/90/942999890.db2.gz BZKVSHWRLLUOPX-VWLOTQADSA-N 0 0 405.517 4.412 20 30 HIEDRN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C#N)ccc2NC2CC2)cc1C ZINC000557060858 943008970 /nfs/dbraw/zinc/00/89/70/943008970.db2.gz FYOOGONSMSFJLU-UHFFFAOYSA-N 0 0 418.526 4.061 20 30 HIEDRN CNc1ccc(C#N)cc1NC(=O)c1cc(I)cc(C)c1C ZINC000557061325 943009041 /nfs/dbraw/zinc/00/90/41/943009041.db2.gz IHQQIHIXYQUSOX-UHFFFAOYSA-N 0 0 405.239 4.074 20 30 HIEDRN N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@]34CCCc3ccccc34)CC2)c(F)c1 ZINC000557115462 943022335 /nfs/dbraw/zinc/02/23/35/943022335.db2.gz GHAMOGRMHODSDF-OFVILXPXSA-N 0 0 404.485 4.361 20 30 HIEDRN CCOc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OCC ZINC000557118796 943024547 /nfs/dbraw/zinc/02/45/47/943024547.db2.gz VWDUEKLHNYAFTA-UHFFFAOYSA-N 0 0 412.461 4.178 20 30 HIEDRN N#Cc1cccc(OCCCCC(=O)NCc2cc(F)c(F)cc2Br)c1 ZINC000557140809 943028286 /nfs/dbraw/zinc/02/82/86/943028286.db2.gz WMQPAIWYESAVRK-UHFFFAOYSA-N 0 0 423.257 4.464 20 30 HIEDRN N#Cc1ccc(CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC000557174928 943040746 /nfs/dbraw/zinc/04/07/46/943040746.db2.gz RFTHPQYEHNAWLS-OAQYLSRUSA-N 0 0 402.416 4.404 20 30 HIEDRN CC(C)C(=O)N1CCC(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000557243730 943059425 /nfs/dbraw/zinc/05/94/25/943059425.db2.gz YUCJBMSAWGHIJS-UHFFFAOYSA-N 0 0 421.566 4.227 20 30 HIEDRN C=CCOC[C@@H]1NC(=O)N([C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)C1=O ZINC000557371732 943091580 /nfs/dbraw/zinc/09/15/80/943091580.db2.gz RVHHSPVYXHFULA-ROUUACIJSA-N 0 0 405.281 4.206 20 30 HIEDRN C=CCN(CCC#N)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC ZINC000557384507 943095203 /nfs/dbraw/zinc/09/52/03/943095203.db2.gz RVMXWOFWCTYQGR-UHFFFAOYSA-N 0 0 416.481 4.098 20 30 HIEDRN C=CCN1C(=O)N(c2ccn(-c3ccccc3Cl)n2)C(=O)[C@@H]1Cc1ccccc1 ZINC000557398432 943103444 /nfs/dbraw/zinc/10/34/44/943103444.db2.gz BIRYZUHHRQDOSQ-IBGZPJMESA-N 0 0 406.873 4.092 20 30 HIEDRN C=CCN1C(=O)N(c2cccc(NC(=O)CCC)c2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000557404259 943107087 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HIEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)C(Cc3ccccc3)Cc3ccccc3)C2)nc1 ZINC000557473479 943151487 /nfs/dbraw/zinc/15/14/87/943151487.db2.gz AEBAYKLJBJJKMB-DEOSSOPVSA-N 0 0 411.505 4.035 20 30 HIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000557499600 943170446 /nfs/dbraw/zinc/17/04/46/943170446.db2.gz OXDKMGUZBPDVOW-XJUOHMSHSA-N 0 0 401.510 4.462 20 30 HIEDRN CCOc1ccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c2ncccc12 ZINC000557507057 943174993 /nfs/dbraw/zinc/17/49/93/943174993.db2.gz TXSUKBQRJJKMJT-UHFFFAOYSA-N 0 0 404.470 4.186 20 30 HIEDRN C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[C@H]1CSC ZINC000557530133 943193640 /nfs/dbraw/zinc/19/36/40/943193640.db2.gz KINYWBPGCXNLCR-KRWDZBQOSA-N 0 0 402.564 4.260 20 30 HIEDRN CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCCCCC1 ZINC000557537267 943196903 /nfs/dbraw/zinc/19/69/03/943196903.db2.gz JUHUXYSMEYXEPW-UHFFFAOYSA-N 0 0 406.486 4.161 20 30 HIEDRN CC(C)[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1F ZINC000557577434 943216623 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