smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164627209 719080666 /nfs/dbraw/zinc/08/06/66/719080666.db2.gz PRYRESSUANGVLI-ZWKOTPCHSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001164629904 719081046 /nfs/dbraw/zinc/08/10/46/719081046.db2.gz ZVNQEGFZFGKJBN-ROUUACIJSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903124 721555248 /nfs/dbraw/zinc/55/52/48/721555248.db2.gz ARZMSLQVLCPVMZ-QUCCMNQESA-N 0 3 420.513 4.163 20 30 HIEDHN N#CC1(c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2)CCOCC1 ZINC001164996612 722206716 /nfs/dbraw/zinc/20/67/16/722206716.db2.gz UJNKGIZPCHHOEA-VWLOTQADSA-N 0 3 420.532 4.037 20 30 HIEDHN C=CCc1cc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc(OC)c1OC ZINC000031765851 847944925 /nfs/dbraw/zinc/94/49/25/847944925.db2.gz BGUMOWCEHGSKQE-UHFFFAOYSA-N 0 3 408.542 4.089 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)o1 ZINC000048185523 849187357 /nfs/dbraw/zinc/18/73/57/849187357.db2.gz ZGLBTDAAVHSJMO-JOCHJYFZSA-N 0 3 415.493 4.297 20 30 HIEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000051407131 849465453 /nfs/dbraw/zinc/46/54/53/849465453.db2.gz WNKCZAGAJXRJAN-HXUWFJFHSA-N 0 3 404.432 4.176 20 30 HIEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000056904859 850514798 /nfs/dbraw/zinc/51/47/98/850514798.db2.gz FMJIPVBUWRCAAG-SFHVURJKSA-N 0 3 404.514 4.447 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1-c1ccccc1 ZINC000060575837 851153798 /nfs/dbraw/zinc/15/37/98/851153798.db2.gz QTDKVAYOYOBKQC-UHFFFAOYSA-N 0 3 413.521 4.194 20 30 HIEDHN C=C(C)COc1cc(CNCc2ccc(Cn3ccccc3=O)cc2)ccc1OC ZINC000060949776 851255392 /nfs/dbraw/zinc/25/53/92/851255392.db2.gz MZIBRGBEUAWRMG-UHFFFAOYSA-N 0 3 404.510 4.150 20 30 HIEDHN COc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1OCCCC#N ZINC000064614350 851940739 /nfs/dbraw/zinc/94/07/39/851940739.db2.gz YICGTFJRHIKVCY-UHFFFAOYSA-N 0 3 408.477 4.301 20 30 HIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1ccccc1Cl ZINC000140343358 853442094 /nfs/dbraw/zinc/44/20/94/853442094.db2.gz KMEYZLMMWBPKCM-OAHLLOKOSA-N 0 3 400.862 4.245 20 30 HIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000195659688 853742379 /nfs/dbraw/zinc/74/23/79/853742379.db2.gz SYIYPWWXCQYIIB-LBPRGKRZSA-N 0 3 417.227 4.279 20 30 HIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000195659686 853742522 /nfs/dbraw/zinc/74/25/22/853742522.db2.gz SYIYPWWXCQYIIB-GFCCVEGCSA-N 0 3 417.227 4.279 20 30 HIEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1OC(F)F ZINC000195662693 853744386 /nfs/dbraw/zinc/74/43/86/853744386.db2.gz SUSHULIZEJDJLV-CYBMUJFWSA-N 0 3 401.394 4.305 20 30 HIEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@@H](C)c2ccccc2)c1C#N ZINC000216198629 853846912 /nfs/dbraw/zinc/84/69/12/853846912.db2.gz AIFGIUMBZSJWHG-KRWDZBQOSA-N 0 3 404.489 4.453 20 30 HIEDHN CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000237015189 853951270 /nfs/dbraw/zinc/95/12/70/853951270.db2.gz DKCCPNBNPQZCMA-LJQANCHMSA-N 0 3 421.541 4.199 20 30 HIEDHN COc1cc(CNCc2cccc(C#N)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237108410 853966382 /nfs/dbraw/zinc/96/63/82/853966382.db2.gz NHUFITQJLKDUGV-UHFFFAOYSA-N 0 3 403.438 4.344 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 ZINC000303332312 854877163 /nfs/dbraw/zinc/87/71/63/854877163.db2.gz XAOZSCNQBZLIIP-UHFFFAOYSA-N 0 3 419.319 4.001 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000303378679 854899966 /nfs/dbraw/zinc/89/99/66/854899966.db2.gz LZGJUIJWLWSQSC-IBGZPJMESA-N 0 3 414.619 4.075 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303435146 854935410 /nfs/dbraw/zinc/93/54/10/854935410.db2.gz GSVMYPJNBGEPJG-LEWJYISDSA-N 0 3 415.459 4.271 20 30 HIEDHN CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000409814869 855668142 /nfs/dbraw/zinc/66/81/42/855668142.db2.gz YXRYASIZHQNAGL-CVDCTZTESA-N 0 3 413.525 4.042 20 30 HIEDHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000410371975 855958064 /nfs/dbraw/zinc/95/80/64/855958064.db2.gz LVBBWDFANMADAT-FQEVSTJZSA-N 0 3 407.558 4.348 20 30 HIEDHN COC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2ccccc2c1 ZINC000428394493 857188131 /nfs/dbraw/zinc/18/81/31/857188131.db2.gz BDLAVEJTFFODRR-RUZDIDTESA-N 0 3 413.521 4.180 20 30 HIEDHN CCc1ccc([C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)N(C)C)cc1 ZINC000429717447 857848463 /nfs/dbraw/zinc/84/84/63/857848463.db2.gz CDDXDZLOFIHKIT-HSZRJFAPSA-N 0 3 415.541 4.059 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2cccc3ccccc32)CC1 ZINC000429732252 857854823 /nfs/dbraw/zinc/85/48/23/857854823.db2.gz POYNBVVQTIDRKO-UHFFFAOYSA-N 0 3 403.530 4.247 20 30 HIEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000432259053 859072111 /nfs/dbraw/zinc/07/21/11/859072111.db2.gz NHLGYWYGMGHAIL-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030258 859489563 /nfs/dbraw/zinc/48/95/63/859489563.db2.gz JGEDTDJFICJUEJ-FGZHOGPDSA-N 0 3 421.541 4.392 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(OC(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433319421 859637483 /nfs/dbraw/zinc/63/74/83/859637483.db2.gz OIPXOBSHMBRWSH-UHFFFAOYSA-N 0 3 401.392 4.047 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(O[C@@H]4CCOC4)cc3)n2)cc1 ZINC000434622088 860435385 /nfs/dbraw/zinc/43/53/85/860435385.db2.gz AIBBWFKRUDVOTN-WOJBJXKFSA-N 0 3 420.490 4.476 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000435015300 860598877 /nfs/dbraw/zinc/59/88/77/860598877.db2.gz GZWIEFRWKUQQRF-UHFFFAOYSA-N 0 3 424.328 4.331 20 30 HIEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000438545903 863974260 /nfs/dbraw/zinc/97/42/60/863974260.db2.gz BZAIBFINPLVJKJ-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN C=CCc1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc(OC)c1OC ZINC000438553000 863983276 /nfs/dbraw/zinc/98/32/76/863983276.db2.gz PXNRYEHMIJYGLU-UHFFFAOYSA-N 0 3 408.542 4.169 20 30 HIEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438636255 864067888 /nfs/dbraw/zinc/06/78/88/864067888.db2.gz KBQBKUJRTYSMJC-GOSISDBHSA-N 0 3 402.420 4.363 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1Br ZINC000467952898 881818188 /nfs/dbraw/zinc/81/81/88/881818188.db2.gz QFHCGHGDVCHSDF-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000440164266 865392891 /nfs/dbraw/zinc/39/28/91/865392891.db2.gz XTZBJFXPHPPHLT-QGZVFWFLSA-N 0 3 412.361 4.197 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cc2-c2nc(CC(C)C)no2)CC1 ZINC000440291339 865544253 /nfs/dbraw/zinc/54/42/53/865544253.db2.gz KTMAXMFNGAIMNH-UHFFFAOYSA-N 0 3 417.941 4.360 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000442182754 867205459 /nfs/dbraw/zinc/20/54/59/867205459.db2.gz RIONHRLWOGFNPG-FUHWJXTLSA-N 0 3 404.392 4.024 20 30 HIEDHN N#CC(=C([O-])c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000442860452 867702704 /nfs/dbraw/zinc/70/27/04/867702704.db2.gz WQUSDNDFRDSNDG-LJQANCHMSA-N 0 3 405.479 4.253 20 30 HIEDHN N#CC(C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000442860452 867702720 /nfs/dbraw/zinc/70/27/20/867702720.db2.gz WQUSDNDFRDSNDG-LJQANCHMSA-N 0 3 405.479 4.253 20 30 HIEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000443661040 868265096 /nfs/dbraw/zinc/26/50/96/868265096.db2.gz ZZGUNGFSLPRCGQ-PMACEKPBSA-N 0 3 421.541 4.164 20 30 HIEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248082 868695095 /nfs/dbraw/zinc/69/50/95/868695095.db2.gz VWEVALJHIUZIOS-PKTZIBPZSA-N 0 3 413.525 4.259 20 30 HIEDHN CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000444298738 868728959 /nfs/dbraw/zinc/72/89/59/868728959.db2.gz YSHAQGGDWNGKHE-NRFANRHFSA-N 0 3 400.526 4.292 20 30 HIEDHN CN(CCC(=O)Nc1sccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445880549 869870394 /nfs/dbraw/zinc/87/03/94/869870394.db2.gz OHIYLCUFELQHSV-OAHLLOKOSA-N 0 3 420.332 4.166 20 30 HIEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445894700 869876470 /nfs/dbraw/zinc/87/64/70/869876470.db2.gz RCSVISCQCUJKGV-SFHVURJKSA-N 0 3 414.303 4.105 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC#Cc1ccccc1Cl ZINC000446981561 870876813 /nfs/dbraw/zinc/87/68/13/870876813.db2.gz QZEWQGZWLXLHMG-UHFFFAOYSA-N 0 3 400.979 4.290 20 30 HIEDHN C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460556457 873276290 /nfs/dbraw/zinc/27/62/90/873276290.db2.gz HHGLUNQHNCUREY-VQIMIIECSA-N 0 3 415.969 4.321 20 30 HIEDHN N#C[C@H]1CCC[C@@H]1NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952173 875082424 /nfs/dbraw/zinc/08/24/24/875082424.db2.gz ZVHISGRDXNKOQQ-APWZRJJASA-N 0 3 409.361 4.293 20 30 HIEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1 ZINC000464746583 877980713 /nfs/dbraw/zinc/98/07/13/877980713.db2.gz ZQGXSLGDOWONKU-UHFFFAOYSA-N 0 3 421.541 4.278 20 30 HIEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464903277 878216708 /nfs/dbraw/zinc/21/67/08/878216708.db2.gz VNICPPAJPRVPDQ-YKSBVNFPSA-N 0 3 405.542 4.085 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000465858889 879506204 /nfs/dbraw/zinc/50/62/04/879506204.db2.gz KMRSAHSFFUJPEZ-UHFFFAOYSA-N 0 3 409.496 4.467 20 30 HIEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000469592404 883827873 /nfs/dbraw/zinc/82/78/73/883827873.db2.gz FQBLEWSMXNCLHA-KRWDZBQOSA-N 0 3 412.509 4.076 20 30 HIEDHN Cc1cc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Oc1cccnc1 ZINC000503943199 912876199 /nfs/dbraw/zinc/87/61/99/912876199.db2.gz DWPLCLDZOAXYRI-HSZRJFAPSA-N 0 3 412.493 4.339 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474223308 889061694 /nfs/dbraw/zinc/06/16/94/889061694.db2.gz OOFICQWRLYOKMK-PZJWPPBQSA-N 0 3 422.598 4.226 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Cl)cc1OC ZINC000475976363 890892837 /nfs/dbraw/zinc/89/28/37/890892837.db2.gz LOCOPWUXFPSLBX-UHFFFAOYSA-N 0 3 406.983 4.447 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000480348581 895754540 /nfs/dbraw/zinc/75/45/40/895754540.db2.gz NKENPVBIFYCLKQ-VFNWGFHPSA-N 0 3 422.920 4.210 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3nc4c(s3)CCCC4)n2)cc1 ZINC000505449161 914117048 /nfs/dbraw/zinc/11/70/48/914117048.db2.gz KYGRWWCPUAORQD-CQSZACIVSA-N 0 3 410.524 4.400 20 30 HIEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130452 897587078 /nfs/dbraw/zinc/58/70/78/897587078.db2.gz DYSWIMVHNSJPKK-QFIPXVFZSA-N 0 3 415.541 4.171 20 30 HIEDHN Cc1cccc([C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C(F)(F)F)c1 ZINC000482157489 897621014 /nfs/dbraw/zinc/62/10/14/897621014.db2.gz MEEWVVDOTMQELN-FQEVSTJZSA-N 0 3 418.463 4.244 20 30 HIEDHN N#CC(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cnc2ccccc2n1 ZINC000483197631 898853373 /nfs/dbraw/zinc/85/33/73/898853373.db2.gz LFTGIFVBSGHMFX-QGZVFWFLSA-N 0 3 412.474 4.111 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000484049768 899682196 /nfs/dbraw/zinc/68/21/96/899682196.db2.gz SXMQXEWOIWILMF-MOPGFXCFSA-N 0 3 410.484 4.000 20 30 HIEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(OC2CCCC2)c1 ZINC000485517089 900801298 /nfs/dbraw/zinc/80/12/98/900801298.db2.gz GRMPPQKVJURLCB-UHFFFAOYSA-N 0 3 421.541 4.092 20 30 HIEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(Cl)c1 ZINC000486821022 901873859 /nfs/dbraw/zinc/87/38/59/901873859.db2.gz FWXAKLOGIQFMBP-XMSQKQJNSA-N 0 3 405.889 4.210 20 30 HIEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466938 902839804 /nfs/dbraw/zinc/83/98/04/902839804.db2.gz MPAMDOHBTXCAMW-MGPUTAFESA-N 0 3 415.509 4.367 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000488559837 902883372 /nfs/dbraw/zinc/88/33/72/902883372.db2.gz JBKUQDHAUTXZJE-INIZCTEOSA-N 0 3 418.563 4.034 20 30 HIEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Cl)cc1 ZINC000488710543 902959577 /nfs/dbraw/zinc/95/95/77/902959577.db2.gz FLIAKUSEAKBFDB-SFHVURJKSA-N 0 3 417.962 4.458 20 30 HIEDHN CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000488915618 903074658 /nfs/dbraw/zinc/07/46/58/903074658.db2.gz KSXLNZAWKDPJLR-FQEVSTJZSA-N 0 3 404.558 4.312 20 30 HIEDHN Cn1cc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491144329 904454872 /nfs/dbraw/zinc/45/48/72/904454872.db2.gz ZAIVBGKHPJTBND-UHFFFAOYSA-N 0 3 419.960 4.320 20 30 HIEDHN C=CCc1cc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc(OC)c1O ZINC000512445206 921166598 /nfs/dbraw/zinc/16/65/98/921166598.db2.gz XPVBNZBXVFHJSW-IBGZPJMESA-N 0 3 423.557 4.471 20 30 HIEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000494779440 905978843 /nfs/dbraw/zinc/97/88/43/905978843.db2.gz VKVUNBOVHALRNW-IBGZPJMESA-N 0 3 412.578 4.011 20 30 HIEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495008246 906170046 /nfs/dbraw/zinc/17/00/46/906170046.db2.gz XCHURQNCMYBWKW-MDPIYQRISA-N 0 3 424.589 4.009 20 30 HIEDHN C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000496226298 906634736 /nfs/dbraw/zinc/63/47/36/906634736.db2.gz YGXWDCFHQNJAFB-XKYBLWFHSA-N 0 3 420.557 4.239 20 30 HIEDHN CCOc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCC ZINC000512621990 921265079 /nfs/dbraw/zinc/26/50/79/921265079.db2.gz GOXAYSREGFSJQB-UHFFFAOYSA-N 0 3 407.514 4.206 20 30 HIEDHN CCCCCC(=O)NC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000512635054 921269601 /nfs/dbraw/zinc/26/96/01/921269601.db2.gz WXCHCNCBTQSSKB-UHFFFAOYSA-N 0 3 407.562 4.125 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000512680034 921285475 /nfs/dbraw/zinc/28/54/75/921285475.db2.gz GLFRRKYTIYMPKD-UHFFFAOYSA-N 0 3 421.257 4.118 20 30 HIEDHN CN(C)Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000497997873 907479011 /nfs/dbraw/zinc/47/90/11/907479011.db2.gz LWYLJGONWQSJBH-UHFFFAOYSA-N 0 3 409.540 4.016 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498358630 907856655 /nfs/dbraw/zinc/85/66/55/907856655.db2.gz HBQXLBQTHAQKRQ-XMMPIXPASA-N 0 3 420.532 4.407 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1Cl ZINC000499048477 908419620 /nfs/dbraw/zinc/41/96/20/908419620.db2.gz QLLGYKCVQKVWAF-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN N#CC1(CCCN2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CCOCC1 ZINC000499564869 908841859 /nfs/dbraw/zinc/84/18/59/908841859.db2.gz QHGQDIMRYKIKMG-HSZRJFAPSA-N 0 3 405.542 4.135 20 30 HIEDHN COCCN(CCCC1(C#N)CCOCC1)Cc1ccc(Br)s1 ZINC000499733586 908893484 /nfs/dbraw/zinc/89/34/84/908893484.db2.gz KVGBHNLADMHXPT-UHFFFAOYSA-N 0 3 401.370 4.060 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)o1 ZINC000513265723 921667663 /nfs/dbraw/zinc/66/76/63/921667663.db2.gz DYICYNNSNBINGE-NRFANRHFSA-N 0 3 415.493 4.125 20 30 HIEDHN Cc1ccccc1[C@@H](OC[C@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309392 914899109 /nfs/dbraw/zinc/89/91/09/914899109.db2.gz SXYAVKFAFNUJTR-RSXGOPAZSA-N 0 3 400.522 4.466 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000506632903 915300996 /nfs/dbraw/zinc/30/09/96/915300996.db2.gz UTGUVJNWLFKDAD-FQEVSTJZSA-N 0 3 410.562 4.348 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cccs2)c1 ZINC000508965729 917721937 /nfs/dbraw/zinc/72/19/37/917721937.db2.gz HXWWOWOQGXFHNS-UHFFFAOYSA-N 0 3 419.550 4.403 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2c(C#N)cnc3ccc(Cl)cc32)[C@@H]1c1cnn(C)c1 ZINC000509615550 918264352 /nfs/dbraw/zinc/26/43/52/918264352.db2.gz DQRSAGSGYRDJJZ-KSFYIVLOSA-N 0 3 422.964 4.403 20 30 HIEDHN C[C@@H](N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603707 920250271 /nfs/dbraw/zinc/25/02/71/920250271.db2.gz IIHPVBQWNHKQAT-RDTXWAMCSA-N 0 3 409.452 4.357 20 30 HIEDHN N#CCCN(C(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000511670223 920335465 /nfs/dbraw/zinc/33/54/65/920335465.db2.gz GVMAJCJGHNLWFL-ZLNRFVROSA-N 0 3 423.944 4.091 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000513661393 921984633 /nfs/dbraw/zinc/98/46/33/921984633.db2.gz RYZJSRQMKZDMHT-INIZCTEOSA-N 0 3 424.439 4.179 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000513672439 921995577 /nfs/dbraw/zinc/99/55/77/921995577.db2.gz ROUHWVLQVZKCBT-SFHVURJKSA-N 0 3 424.439 4.179 20 30 HIEDHN COc1cccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)N2CCCC2)c1 ZINC000515117946 922931040 /nfs/dbraw/zinc/93/10/40/922931040.db2.gz MKFDDWJGJLABKV-QFIPXVFZSA-N 0 3 406.530 4.455 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)o1 ZINC000515771545 923339122 /nfs/dbraw/zinc/33/91/22/923339122.db2.gz VFOPARFEFVFVPE-JOCHJYFZSA-N 0 3 415.493 4.297 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)s2)cc1 ZINC000516238905 923621400 /nfs/dbraw/zinc/62/14/00/923621400.db2.gz ILDRTWFVUNIWMZ-NRFANRHFSA-N 0 3 416.550 4.456 20 30 HIEDHN C=CCN1CCC(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000517331979 924108410 /nfs/dbraw/zinc/10/84/10/924108410.db2.gz YCLZWBNKHUNIBM-QFIPXVFZSA-N 0 3 402.542 4.249 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000517340851 924114824 /nfs/dbraw/zinc/11/48/24/924114824.db2.gz FKHLFFBMMDXBGC-KRWDZBQOSA-N 0 3 424.408 4.278 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000517751435 926821925 /nfs/dbraw/zinc/82/19/25/926821925.db2.gz DXXQJEYQRNUNAF-RPWUZVMVSA-N 0 3 404.558 4.358 20 30 HIEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517761653 926824949 /nfs/dbraw/zinc/82/49/49/926824949.db2.gz NCWOKEYCDFGBRK-VAMGGRTRSA-N 0 3 403.615 4.083 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2sc(C(F)(F)F)cc2C(=O)OCC)CC1 ZINC000518062800 927000935 /nfs/dbraw/zinc/00/09/35/927000935.db2.gz TZBXMQKPZFRGIM-UHFFFAOYSA-N 0 3 419.469 4.106 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c(C)c2)CC1 ZINC000518167373 927058807 /nfs/dbraw/zinc/05/88/07/927058807.db2.gz DXOTVKFNLPQJNX-XMMPIXPASA-N 0 3 420.557 4.051 20 30 HIEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000518174800 927064613 /nfs/dbraw/zinc/06/46/13/927064613.db2.gz RAGKZVWTFIMKIW-GOSISDBHSA-N 0 3 406.463 4.160 20 30 HIEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000518863321 927570352 /nfs/dbraw/zinc/57/03/52/927570352.db2.gz CWRAEPIKLLGZGB-FQEVSTJZSA-N 0 3 421.589 4.452 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000518954601 927654852 /nfs/dbraw/zinc/65/48/52/927654852.db2.gz BLJITNMAPSSURZ-UHFFFAOYSA-N 0 3 405.527 4.277 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519451286 927958764 /nfs/dbraw/zinc/95/87/64/927958764.db2.gz XJVBXUPOLNNIPI-GOSISDBHSA-N 0 3 421.570 4.406 20 30 HIEDHN C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N(C)Cc1ccccc1 ZINC000519570020 928019689 /nfs/dbraw/zinc/01/96/89/928019689.db2.gz DMNGAMRWYQJLKT-SFHVURJKSA-N 0 3 415.497 4.388 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000519935757 928169820 /nfs/dbraw/zinc/16/98/20/928169820.db2.gz QSOUXGBLGFUOOR-XMMPIXPASA-N 0 3 402.542 4.401 20 30 HIEDHN C=C(C)COc1cc(CN[C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1OC ZINC000520227073 928399873 /nfs/dbraw/zinc/39/98/73/928399873.db2.gz CTVOGHDSJGHUTA-KRWDZBQOSA-N 0 3 400.906 4.199 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)CC1 ZINC000520685686 928734374 /nfs/dbraw/zinc/73/43/74/928734374.db2.gz ACDPMOIOZYZWOR-UHFFFAOYSA-N 0 3 420.553 4.167 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CC1 ZINC000520697741 928744433 /nfs/dbraw/zinc/74/44/33/928744433.db2.gz PEIXOVXLAMUHRB-LJQANCHMSA-N 0 3 412.578 4.172 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521121435 929006962 /nfs/dbraw/zinc/00/69/62/929006962.db2.gz IZBFSJBBZWVNLM-GHTZIAJQSA-N 0 3 408.502 4.128 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000525449287 930247094 /nfs/dbraw/zinc/24/70/94/930247094.db2.gz XATGUTIMJMFMIJ-UHFFFAOYSA-N 0 3 410.493 4.082 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000530356732 930692416 /nfs/dbraw/zinc/69/24/16/930692416.db2.gz CAMPXHGENVMPCG-XZOQPEGZSA-N 0 3 418.541 4.068 20 30 HIEDHN N#Cc1cccc(COc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)c1 ZINC000531292454 931003907 /nfs/dbraw/zinc/00/39/07/931003907.db2.gz MVYRABLOGBODDF-UHFFFAOYSA-N 0 3 419.525 4.111 20 30 HIEDHN COc1ccc([C@@H](NCCCC(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000531648528 931139209 /nfs/dbraw/zinc/13/92/09/931139209.db2.gz IISNQAWVMUCGNS-OAQYLSRUSA-N 0 3 400.544 4.108 20 30 HIEDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694825 931157317 /nfs/dbraw/zinc/15/73/17/931157317.db2.gz RLDOCZYLSUEIDK-UWVGGRQHSA-N 0 3 404.326 4.177 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000533386166 931854648 /nfs/dbraw/zinc/85/46/48/931854648.db2.gz DTUXWWBYROBZSR-DEOSSOPVSA-N 0 3 422.573 4.473 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000534757090 932734148 /nfs/dbraw/zinc/73/41/48/932734148.db2.gz UDYZEZACAXYKQI-ILBGXUMGSA-N 0 3 411.505 4.312 20 30 HIEDHN C=CCn1c(C(C)C)nnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000562905048 945147131 /nfs/dbraw/zinc/14/71/31/945147131.db2.gz HOYGPMCTMXLNMR-UHFFFAOYSA-N 0 3 407.484 4.319 20 30 HIEDHN C=CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628885 938340154 /nfs/dbraw/zinc/34/01/54/938340154.db2.gz JHARCXPHBJPLOD-INIZCTEOSA-N 0 3 419.920 4.455 20 30 HIEDHN C[C@H](Cc1ccccc1)n1cccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000538008260 938459205 /nfs/dbraw/zinc/45/92/05/938459205.db2.gz IEGKANAXGZHNEE-OAQYLSRUSA-N 0 3 414.553 4.367 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C)c2ccccc2-n2cccn2)c1C ZINC000539263558 938829513 /nfs/dbraw/zinc/82/95/13/938829513.db2.gz YMTLIAFJABEYNB-FQEVSTJZSA-N 0 3 401.514 4.087 20 30 HIEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000540362950 939211158 /nfs/dbraw/zinc/21/11/58/939211158.db2.gz PUIVGXOMUFAJPS-JOCHJYFZSA-N 0 3 401.514 4.368 20 30 HIEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540378726 939219300 /nfs/dbraw/zinc/21/93/00/939219300.db2.gz CMFQMXRWECBSBU-KRWDZBQOSA-N 0 3 404.333 4.452 20 30 HIEDHN N#Cc1ccc(CN2CCC(N[C@@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 ZINC000540607577 939317990 /nfs/dbraw/zinc/31/79/90/939317990.db2.gz DVFWLSMMVDXZEC-VWLOTQADSA-N 0 3 400.501 4.436 20 30 HIEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000541624313 939573692 /nfs/dbraw/zinc/57/36/92/939573692.db2.gz SAUFIHKOSUEMLH-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC(OC[C@H]4CCOC4)CC3)c2)c1 ZINC000544370910 940404415 /nfs/dbraw/zinc/40/44/15/940404415.db2.gz OQONEHGVQUMQMJ-QHCPKHFHSA-N 0 3 406.526 4.155 20 30 HIEDHN CCN(C[C@H]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)C1)CC(F)(F)F ZINC000544608618 940489814 /nfs/dbraw/zinc/48/98/14/940489814.db2.gz YXPJWMJDKMXIBH-CQSZACIVSA-N 0 3 416.381 4.473 20 30 HIEDHN N#CC(C(=O)c1ccccc1OCc1ccccc1Br)c1ccncn1 ZINC000545446605 940570252 /nfs/dbraw/zinc/57/02/52/940570252.db2.gz OXUPEUQWXYXRAP-MRXNPFEDSA-N 0 3 408.255 4.308 20 30 HIEDHN N#CC(C(=O)c1ccccc1OCc1ccc(Br)cc1)c1ccncn1 ZINC000545446283 940570284 /nfs/dbraw/zinc/57/02/84/940570284.db2.gz GGUYPOUENCFAOA-KRWDZBQOSA-N 0 3 408.255 4.308 20 30 HIEDHN CN(C)C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000549232322 941172734 /nfs/dbraw/zinc/17/27/34/941172734.db2.gz BIUZRHXUOZWTBG-NRFANRHFSA-N 0 3 423.900 4.416 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(C(F)(F)F)cc1 ZINC000549699972 941205074 /nfs/dbraw/zinc/20/50/74/941205074.db2.gz QVMNQQHTOKMDTB-GOSISDBHSA-N 0 3 404.436 4.093 20 30 HIEDHN C=C(C)COc1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1OC ZINC000549849493 941214583 /nfs/dbraw/zinc/21/45/83/941214583.db2.gz ZOMZVCXTRUZOEL-UHFFFAOYSA-N 0 3 404.514 4.395 20 30 HIEDHN N#Cc1c(NC(=O)CCNC2(c3cccc(C#N)c3)CC2)sc2c1CCCCC2 ZINC000551712857 941531354 /nfs/dbraw/zinc/53/13/54/941531354.db2.gz MGPDIPNMKYYRLS-UHFFFAOYSA-N 0 3 404.539 4.368 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555131388 942396367 /nfs/dbraw/zinc/39/63/67/942396367.db2.gz MUUFDPQOSJNXJK-CBQOVEMMSA-N 0 3 422.976 4.037 20 30 HIEDHN COC[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1F ZINC000558257462 943462775 /nfs/dbraw/zinc/46/27/75/943462775.db2.gz MZHWWYGVQMYTRW-RJYAGPCLSA-N 0 3 403.885 4.413 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC4(CCC4)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000558476059 943570101 /nfs/dbraw/zinc/57/01/01/943570101.db2.gz JHGPETGRMIYNJU-FYINFDKHSA-N 0 3 413.587 4.107 20 30 HIEDHN CCN1CC[C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558902095 943736582 /nfs/dbraw/zinc/73/65/82/943736582.db2.gz MGEALVDNMSQOIY-PUCZYUMASA-N 0 3 414.912 4.103 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CCCOC)c2ccc(Cl)cc2)CC1 ZINC000561536551 944661490 /nfs/dbraw/zinc/66/14/90/944661490.db2.gz MKGIYRSISROXPX-LJQANCHMSA-N 0 3 407.986 4.190 20 30 HIEDHN N#Cc1c(NC(=O)CCN[C@H](CCO)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000561917879 944855643 /nfs/dbraw/zinc/85/56/43/944855643.db2.gz OXAWURXUCICIOE-GOSISDBHSA-N 0 3 417.962 4.194 20 30 HIEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000561978153 944883998 /nfs/dbraw/zinc/88/39/98/944883998.db2.gz FUAXLDJFLCLMMP-GFCCVEGCSA-N 0 3 421.363 4.040 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000564395087 945553130 /nfs/dbraw/zinc/55/31/30/945553130.db2.gz IOYPUNJLFHSYPE-ISKFKSNPSA-N 0 3 424.976 4.239 20 30 HIEDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038988 945988367 /nfs/dbraw/zinc/98/83/67/945988367.db2.gz UMGAWZAALZPTDJ-WZONZLPQSA-N 0 3 421.516 4.145 20 30 HIEDHN Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000569112978 946817812 /nfs/dbraw/zinc/81/78/12/946817812.db2.gz VNGQCLYKXRPXIG-OAQYLSRUSA-N 0 3 403.534 4.316 20 30 HIEDHN N#CCCCOc1cccc(CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000569626062 946898880 /nfs/dbraw/zinc/89/88/80/946898880.db2.gz SXVVZYDGWKIRQD-LJQANCHMSA-N 0 3 405.420 4.436 20 30 HIEDHN COc1cccc([C@@H](CNC[C@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945666 947819027 /nfs/dbraw/zinc/81/90/27/947819027.db2.gz QASCLVPSGQLBNG-FXAWDEMLSA-N 0 3 402.498 4.350 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CNCc2cccc(N3CCOCC3)c2)c1 ZINC000573904397 948325260 /nfs/dbraw/zinc/32/52/60/948325260.db2.gz XTQBLPNJOXEFEQ-UHFFFAOYSA-N 0 3 413.521 4.264 20 30 HIEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164628526 719080355 /nfs/dbraw/zinc/08/03/55/719080355.db2.gz SGSKYSGJJFCYMS-LPHOPBHVSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164904746 721563421 /nfs/dbraw/zinc/56/34/21/721563421.db2.gz FLIPNTITNFIPSL-UYAOXDASSA-N 0 3 422.891 4.241 20 30 HIEDHN N#Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000014703393 845971313 /nfs/dbraw/zinc/97/13/13/845971313.db2.gz LOYPJFPVDBUWGD-UHFFFAOYSA-N 0 3 404.392 4.198 20 30 HIEDHN CCCNc1nnc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)s1 ZINC000026111648 847087843 /nfs/dbraw/zinc/08/78/43/847087843.db2.gz DHVWSYUHPZULAP-CYBMUJFWSA-N 0 3 415.569 4.452 20 30 HIEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 ZINC000028885095 847471713 /nfs/dbraw/zinc/47/17/13/847471713.db2.gz KTJXTKTXIVZBRF-UHFFFAOYSA-N 0 3 412.740 4.496 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CC1 ZINC000436491719 861822645 /nfs/dbraw/zinc/82/26/45/861822645.db2.gz SOGPONQVCNOPFE-UHFFFAOYSA-N 0 3 402.539 4.343 20 30 HIEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514788 848224561 /nfs/dbraw/zinc/22/45/61/848224561.db2.gz NPWSXHFMXPTYPN-CQSZACIVSA-N 0 3 409.854 4.284 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000043717925 848453025 /nfs/dbraw/zinc/45/30/25/848453025.db2.gz UGZWLYDVDXORCW-JOCHJYFZSA-N 0 3 410.949 4.436 20 30 HIEDHN CC(C)Oc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000046065846 848780148 /nfs/dbraw/zinc/78/01/48/848780148.db2.gz KTJDMGHZYKYFKQ-LJQANCHMSA-N 0 3 408.546 4.180 20 30 HIEDHN N#CC(C(=O)c1ccc(OC2CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395276 849309043 /nfs/dbraw/zinc/30/90/43/849309043.db2.gz ASNJFPYLYUTRBN-LJQANCHMSA-N 0 3 414.469 4.009 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(OC(F)F)c1 ZINC000050957116 849421550 /nfs/dbraw/zinc/42/15/50/849421550.db2.gz HECWAZOODQRDBW-UHFFFAOYSA-N 0 3 408.518 4.386 20 30 HIEDHN COc1ccc(OC)c([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000105422643 852704668 /nfs/dbraw/zinc/70/46/68/852704668.db2.gz CNHGMLISGXPMAX-FQEVSTJZSA-N 0 3 413.905 4.395 20 30 HIEDHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000108591483 852862605 /nfs/dbraw/zinc/86/26/05/852862605.db2.gz MQENBMTUFYKLDO-DEOSSOPVSA-N 0 3 405.542 4.005 20 30 HIEDHN C#CCN1CCC(C(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)CC1 ZINC000108712300 852874025 /nfs/dbraw/zinc/87/40/25/852874025.db2.gz MGDDAQAOYZCCKH-UHFFFAOYSA-N 0 3 414.452 4.247 20 30 HIEDHN CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000115990106 853276987 /nfs/dbraw/zinc/27/69/87/853276987.db2.gz RLTSVKVGMLJSAV-CVDCTZTESA-N 0 3 407.583 4.475 20 30 HIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)c1 ZINC000140283380 853440619 /nfs/dbraw/zinc/44/06/19/853440619.db2.gz BGXBBUVSEMAVTE-HNNXBMFYSA-N 0 3 411.870 4.433 20 30 HIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)c1 ZINC000140283540 853440911 /nfs/dbraw/zinc/44/09/11/853440911.db2.gz BGXBBUVSEMAVTE-OAHLLOKOSA-N 0 3 411.870 4.433 20 30 HIEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000237332956 854008450 /nfs/dbraw/zinc/00/84/50/854008450.db2.gz SSRQHPLOMBRISV-LJQANCHMSA-N 0 3 410.537 4.111 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000303383325 854902981 /nfs/dbraw/zinc/90/29/81/854902981.db2.gz XVDHFZRWCOYTPK-UHFFFAOYSA-N 0 3 420.395 4.211 20 30 HIEDHN CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N)N(C)C ZINC000303435900 854936511 /nfs/dbraw/zinc/93/65/11/854936511.db2.gz DKKVDXQGQFZTMN-GOSISDBHSA-N 0 3 420.406 4.015 20 30 HIEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000303844797 855241741 /nfs/dbraw/zinc/24/17/41/855241741.db2.gz NMEVDWPXSFXECM-GOSISDBHSA-N 0 3 422.460 4.014 20 30 HIEDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000303940683 855305748 /nfs/dbraw/zinc/30/57/48/855305748.db2.gz SOYPDLPHPLJDDQ-CYBMUJFWSA-N 0 3 402.589 4.457 20 30 HIEDHN COC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2ccccc2c1 ZINC000428394494 857188212 /nfs/dbraw/zinc/18/82/12/857188212.db2.gz BDLAVEJTFFODRR-VWLOTQADSA-N 0 3 413.521 4.180 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC ZINC000429880384 857925224 /nfs/dbraw/zinc/92/52/24/857925224.db2.gz RFJIVBBFNUUQNO-LBPRGKRZSA-N 0 3 417.874 4.221 20 30 HIEDHN N#CCCC[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901804 858862717 /nfs/dbraw/zinc/86/27/17/858862717.db2.gz YHCVPIMGJQONIS-ZEQRLZLVSA-N 0 3 420.557 4.012 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 ZINC000467539580 881359645 /nfs/dbraw/zinc/35/96/45/881359645.db2.gz JBJGOQPEEMEQJR-UHFFFAOYSA-N 0 3 424.328 4.331 20 30 HIEDHN COc1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c(OC)cc1Cl ZINC000433015916 859479708 /nfs/dbraw/zinc/47/97/08/859479708.db2.gz ZGLJJEUOVYLXOO-KRWDZBQOSA-N 0 3 401.894 4.320 20 30 HIEDHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433033724 859491920 /nfs/dbraw/zinc/49/19/20/859491920.db2.gz WJDODHHSKQBRTF-XMMPIXPASA-N 0 3 415.541 4.130 20 30 HIEDHN Cc1cnc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC000433172057 859553237 /nfs/dbraw/zinc/55/32/37/859553237.db2.gz BXVLDTZVDUSVKG-UHFFFAOYSA-N 0 3 400.573 4.082 20 30 HIEDHN Cc1cccc(NC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000435126873 860653097 /nfs/dbraw/zinc/65/30/97/860653097.db2.gz RXQDCOGVVDRMQD-UHFFFAOYSA-N 0 3 400.530 4.244 20 30 HIEDHN N#CCCn1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccncc2)n1 ZINC000435138463 860660157 /nfs/dbraw/zinc/66/01/57/860660157.db2.gz SDIUKYRSKLLPCX-UHFFFAOYSA-N 0 3 409.497 4.024 20 30 HIEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000467781676 881601648 /nfs/dbraw/zinc/60/16/48/881601648.db2.gz BTUIKNSMCJTSKJ-MRXNPFEDSA-N 0 3 409.368 4.011 20 30 HIEDHN N#Cc1cccnc1OC1CCC(NCc2csc(COc3ccccc3)n2)CC1 ZINC000438484543 863900413 /nfs/dbraw/zinc/90/04/13/863900413.db2.gz IUSIXDDJYREQRA-UHFFFAOYSA-N 0 3 420.538 4.469 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000439003926 864458590 /nfs/dbraw/zinc/45/85/90/864458590.db2.gz ONSKBDHFMYHNDN-VCFYHUQZSA-N 0 3 411.590 4.202 20 30 HIEDHN CC1(C)CN(C2(CNC(=O)N[C@H](CCC#N)c3ccccc3)CCCCC2)CCO1 ZINC000440249559 865488478 /nfs/dbraw/zinc/48/84/78/865488478.db2.gz PEXYEVNSEYLOGH-OAQYLSRUSA-N 0 3 412.578 4.144 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440258706 865509885 /nfs/dbraw/zinc/50/98/85/865509885.db2.gz UNGCDCGAKXUWBG-NRFANRHFSA-N 0 3 400.473 4.083 20 30 HIEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000441459610 866536876 /nfs/dbraw/zinc/53/68/76/866536876.db2.gz BBUUIKHRKHKJSZ-UHFFFAOYSA-N 0 3 422.573 4.317 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000441479362 866557494 /nfs/dbraw/zinc/55/74/94/866557494.db2.gz HNKDYMMQVVOKJU-LJQANCHMSA-N 0 3 401.942 4.103 20 30 HIEDHN CC[C@@H]1CCc2nc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)sc2C1 ZINC000441946414 867010823 /nfs/dbraw/zinc/01/08/23/867010823.db2.gz MTTVIGCIHUJUQJ-MRXNPFEDSA-N 0 3 411.575 4.125 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000442182755 867204768 /nfs/dbraw/zinc/20/47/68/867204768.db2.gz RIONHRLWOGFNPG-SJLPKXTDSA-N 0 3 404.392 4.024 20 30 HIEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464903275 878216831 /nfs/dbraw/zinc/21/68/31/878216831.db2.gz VNICPPAJPRVPDQ-HYBUGGRVSA-N 0 3 405.542 4.085 20 30 HIEDHN CN1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1cccs1 ZINC000469208996 883310213 /nfs/dbraw/zinc/31/02/13/883310213.db2.gz CODWLMLHSVDLJH-UTKZUKDTSA-N 0 3 406.511 4.088 20 30 HIEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(Br)cc1OC ZINC000469754002 883916343 /nfs/dbraw/zinc/91/63/43/883916343.db2.gz WIBLOOWMVNQRTE-ZDUSSCGKSA-N 0 3 405.292 4.068 20 30 HIEDHN COc1cc(Br)ccc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000469757344 883922088 /nfs/dbraw/zinc/92/20/88/883922088.db2.gz QUOJIEQJYOJRMU-CYBMUJFWSA-N 0 3 402.292 4.009 20 30 HIEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000504057018 912960299 /nfs/dbraw/zinc/96/02/99/912960299.db2.gz UULFUPRURZAYEP-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471255573 885834010 /nfs/dbraw/zinc/83/40/10/885834010.db2.gz XFKAFXHWKBEFCM-UHFFFAOYSA-N 0 3 424.467 4.272 20 30 HIEDHN N#Cc1ccc(CN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C2CC2)cc1 ZINC000472464339 887323660 /nfs/dbraw/zinc/32/36/60/887323660.db2.gz OQKWGLPQNSZDRQ-UHFFFAOYSA-N 0 3 420.479 4.038 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCc1cnn(C)c1 ZINC000474446285 889310545 /nfs/dbraw/zinc/31/05/45/889310545.db2.gz ODXVFRJOEURSSP-INIZCTEOSA-N 0 3 410.499 4.078 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000474888779 889746127 /nfs/dbraw/zinc/74/61/27/889746127.db2.gz UUEWYABBDDTSLL-UHFFFAOYSA-N 0 3 423.582 4.329 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000504651524 913394428 /nfs/dbraw/zinc/39/44/28/913394428.db2.gz WIVVFUFNURDITK-DEOSSOPVSA-N 0 3 400.526 4.194 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000479727622 895026050 /nfs/dbraw/zinc/02/60/50/895026050.db2.gz LNOGZIRIOWNJHK-UHFFFAOYSA-N 0 3 409.578 4.000 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000479790090 895095009 /nfs/dbraw/zinc/09/50/09/895095009.db2.gz QZJUXBOQOSGPEQ-HSZRJFAPSA-N 0 3 409.578 4.389 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](c1ccccc1)N(C)C ZINC000480347120 895753474 /nfs/dbraw/zinc/75/34/74/895753474.db2.gz IUNOXDRDOBMPDG-VFNWGFHPSA-N 0 3 422.920 4.210 20 30 HIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000480909849 896265585 /nfs/dbraw/zinc/26/55/85/896265585.db2.gz HJEWUCQBQMLICV-INIZCTEOSA-N 0 3 416.462 4.149 20 30 HIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)N(C)C)cc1 ZINC000482301210 897798561 /nfs/dbraw/zinc/79/85/61/897798561.db2.gz HGNARDAFEVSYKU-HXUWFJFHSA-N 0 3 411.550 4.326 20 30 HIEDHN N#CC(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483231716 898876071 /nfs/dbraw/zinc/87/60/71/898876071.db2.gz FSDAWNPTFFDTBH-HNNXBMFYSA-N 0 3 407.355 4.324 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCc3cc(C)ccc3C2)c1C#N ZINC000484025815 899659604 /nfs/dbraw/zinc/65/96/04/899659604.db2.gz XFVKFBXMGZHLRE-UHFFFAOYSA-N 0 3 416.525 4.313 20 30 HIEDHN CC(C)[C@@](C)(NCC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000484336496 899888793 /nfs/dbraw/zinc/88/87/93/899888793.db2.gz ZYAVEPQTPBTFIL-OAQYLSRUSA-N 0 3 414.347 4.098 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349982 899899189 /nfs/dbraw/zinc/89/91/89/899899189.db2.gz KUWFACFIQHGUPB-VQIMIIECSA-N 0 3 401.469 4.074 20 30 HIEDHN CN(C)C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000484471216 899965195 /nfs/dbraw/zinc/96/51/95/899965195.db2.gz VXYQJJMTEQWETM-INIZCTEOSA-N 0 3 410.371 4.020 20 30 HIEDHN COCCSc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324245 900606666 /nfs/dbraw/zinc/60/66/66/900606666.db2.gz VTTWILACCCETBT-VGSWGCGISA-N 0 3 409.555 4.143 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000486157271 901344979 /nfs/dbraw/zinc/34/49/79/901344979.db2.gz YQGBKTULRZMUFH-UHFFFAOYSA-N 0 3 421.488 4.260 20 30 HIEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499380 902856954 /nfs/dbraw/zinc/85/69/54/902856954.db2.gz OGVMKXVIBONVGS-VQTJNVASSA-N 0 3 412.331 4.163 20 30 HIEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505393 902860939 /nfs/dbraw/zinc/86/09/39/902860939.db2.gz YRQFQOUGPKGKBT-UXHICEINSA-N 0 3 412.331 4.163 20 30 HIEDHN C=CCC[C@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000488652967 902921836 /nfs/dbraw/zinc/92/18/36/902921836.db2.gz DHQRRYROAKPJTF-QHCPKHFHSA-N 0 3 405.542 4.072 20 30 HIEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000489260482 903295306 /nfs/dbraw/zinc/29/53/06/903295306.db2.gz SNXLXGYUCZTDLF-QHCPKHFHSA-N 0 3 411.546 4.005 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c(C)c2)CC1 ZINC000506030180 914713631 /nfs/dbraw/zinc/71/36/31/914713631.db2.gz IAQFCXZHUZOCTM-UHFFFAOYSA-N 0 3 408.521 4.064 20 30 HIEDHN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC[C@@H]1C1CCCC1)CCCC2 ZINC000494791611 905994131 /nfs/dbraw/zinc/99/41/31/905994131.db2.gz FJLRODNIYZBLSF-SIKLNZKXSA-N 0 3 424.589 4.011 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000497453633 906928158 /nfs/dbraw/zinc/92/81/58/906928158.db2.gz RUAQRELYVCGZLA-HSZRJFAPSA-N 0 3 409.578 4.216 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000512805352 921314529 /nfs/dbraw/zinc/31/45/29/921314529.db2.gz FYSYWYPJSSKXNI-UHFFFAOYSA-N 0 3 401.869 4.223 20 30 HIEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000501250317 910409557 /nfs/dbraw/zinc/40/95/57/910409557.db2.gz XCLKVCYZPPQPGG-UHFFFAOYSA-N 0 3 409.530 4.314 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318013 911292500 /nfs/dbraw/zinc/29/25/00/911292500.db2.gz DUGMRFZQYDCSBF-DVECYGJZSA-N 0 3 400.526 4.192 20 30 HIEDHN CCOc1c(Cl)cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506295223 914890457 /nfs/dbraw/zinc/89/04/57/914890457.db2.gz PELBHQGENMQOKT-UHFFFAOYSA-N 0 3 413.949 4.327 20 30 HIEDHN Cc1ccccc1[C@H](OC[C@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309390 914899145 /nfs/dbraw/zinc/89/91/45/914899145.db2.gz SXYAVKFAFNUJTR-AOYPEHQESA-N 0 3 400.522 4.466 20 30 HIEDHN Cc1ccc([C@H](OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317616 914915092 /nfs/dbraw/zinc/91/50/92/914915092.db2.gz YXEGXZXFUXBCEA-IZZNHLLZSA-N 0 3 400.522 4.466 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506488743 915094599 /nfs/dbraw/zinc/09/45/99/915094599.db2.gz KSCJJCBNCAVPLE-DEOSSOPVSA-N 0 3 423.557 4.133 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@H](c4nccs4)C3)sc2C1 ZINC000506562834 915209009 /nfs/dbraw/zinc/20/90/09/915209009.db2.gz QAVPEHWXQZXLAP-CABCVRRESA-N 0 3 414.600 4.409 20 30 HIEDHN COC(=O)c1ccc(OC(C)C)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000513391514 921763964 /nfs/dbraw/zinc/76/39/64/921763964.db2.gz YNLANYPDVPZHTN-UHFFFAOYSA-N 0 3 407.514 4.209 20 30 HIEDHN CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000506807971 915557869 /nfs/dbraw/zinc/55/78/69/915557869.db2.gz WZVLZKYUXFGALQ-OAQYLSRUSA-N 0 3 402.498 4.126 20 30 HIEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN(CCc2ccccc2)CC1 ZINC000507100730 915869462 /nfs/dbraw/zinc/86/94/62/915869462.db2.gz ANBKRUIVMYZUPS-UHFFFAOYSA-N 0 3 408.452 4.073 20 30 HIEDHN CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439907 916208794 /nfs/dbraw/zinc/20/87/94/916208794.db2.gz HDHMGXPBZMZAMP-FDDCHVKYSA-N 0 3 418.541 4.184 20 30 HIEDHN Cn1cc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000507712151 916506387 /nfs/dbraw/zinc/50/63/87/916506387.db2.gz AHBOLIBJFJXSFL-UHFFFAOYSA-N 0 3 412.493 4.019 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)c(C)c2)CC1 ZINC000508047624 916875117 /nfs/dbraw/zinc/87/51/17/916875117.db2.gz XZAXOXVLQGPFPD-UHFFFAOYSA-N 0 3 408.550 4.209 20 30 HIEDHN CCOc1cc(CN(CC)[C@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000508601885 917372253 /nfs/dbraw/zinc/37/22/53/917372253.db2.gz BERUXQIUFRCKDA-RTBURBONSA-N 0 3 423.557 4.396 20 30 HIEDHN C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C2CCCC2)CC1 ZINC000508694001 917456448 /nfs/dbraw/zinc/45/64/48/917456448.db2.gz AXWUMZDWCJMKDW-UHFFFAOYSA-N 0 3 402.546 4.052 20 30 HIEDHN C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC2CC2)CC1 ZINC000508750427 917508185 /nfs/dbraw/zinc/50/81/85/917508185.db2.gz ZHCXLWADXUAVTC-UHFFFAOYSA-N 0 3 420.586 4.095 20 30 HIEDHN N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000509373842 918039342 /nfs/dbraw/zinc/03/93/42/918039342.db2.gz RCLAVCOCQFSABY-OAQYLSRUSA-N 0 3 424.570 4.010 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1OC ZINC000510387962 918866917 /nfs/dbraw/zinc/86/69/17/918866917.db2.gz YFRTVDQGQIAVST-UHFFFAOYSA-N 0 3 400.563 4.121 20 30 HIEDHN COc1c(Cl)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000513978112 922298494 /nfs/dbraw/zinc/29/84/94/922298494.db2.gz GACXWJFEGKUTCN-UHFFFAOYSA-N 0 3 421.328 4.469 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1 ZINC000518501065 927312025 /nfs/dbraw/zinc/31/20/25/927312025.db2.gz POXOZXJHHVXDNZ-UHFFFAOYSA-N 0 3 416.319 4.017 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 ZINC000519270381 927857447 /nfs/dbraw/zinc/85/74/47/927857447.db2.gz KIHAXOQCMAUPIS-UHFFFAOYSA-N 0 3 406.555 4.007 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC1 ZINC000519271143 927858236 /nfs/dbraw/zinc/85/82/36/927858236.db2.gz YRRMJUZBDMOWJO-UHFFFAOYSA-N 0 3 410.562 4.459 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CCc3ccc(OCC)cc3)CC2)CC1 ZINC000519285574 927864171 /nfs/dbraw/zinc/86/41/71/927864171.db2.gz BERIVSAQUQZHBE-UHFFFAOYSA-N 0 3 413.606 4.480 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000519287454 927864728 /nfs/dbraw/zinc/86/47/28/927864728.db2.gz FUCFIYMPSSUAKO-UHFFFAOYSA-N 0 3 416.909 4.347 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000519451287 927959140 /nfs/dbraw/zinc/95/91/40/927959140.db2.gz XJVBXUPOLNNIPI-SFHVURJKSA-N 0 3 421.570 4.406 20 30 HIEDHN C=CCN1CCC(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000519651865 928036908 /nfs/dbraw/zinc/03/69/08/928036908.db2.gz HFTJIVOKNBBJAA-UHFFFAOYSA-N 0 3 405.514 4.133 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)CC1 ZINC000524668933 929782468 /nfs/dbraw/zinc/78/24/68/929782468.db2.gz FIPQCKULOBHJND-QHCPKHFHSA-N 0 3 417.557 4.002 20 30 HIEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802572 930449310 /nfs/dbraw/zinc/44/93/10/930449310.db2.gz WEEPWQGUSMZTKM-UZLBHIALSA-N 0 3 423.513 4.338 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000530356730 930691824 /nfs/dbraw/zinc/69/18/24/930691824.db2.gz CAMPXHGENVMPCG-GOTSBHOMSA-N 0 3 418.541 4.068 20 30 HIEDHN N#Cc1cccc(Oc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)c1 ZINC000531054113 930898995 /nfs/dbraw/zinc/89/89/95/930898995.db2.gz GDGGVWQRBXLYIY-UHFFFAOYSA-N 0 3 405.498 4.324 20 30 HIEDHN CC(C)(C)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000533486846 931882476 /nfs/dbraw/zinc/88/24/76/931882476.db2.gz DVFLKVDEYBREBR-NRFANRHFSA-N 0 3 405.477 4.199 20 30 HIEDHN Cc1cc([C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000533967699 932143016 /nfs/dbraw/zinc/14/30/16/932143016.db2.gz SDXHRUGIKWSXKR-QHCPKHFHSA-N 0 3 408.521 4.230 20 30 HIEDHN C=CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628886 938339897 /nfs/dbraw/zinc/33/98/97/938339897.db2.gz JHARCXPHBJPLOD-MRXNPFEDSA-N 0 3 419.920 4.455 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000537639521 938343779 /nfs/dbraw/zinc/34/37/79/938343779.db2.gz SNMUESZFFPRKQQ-UHFFFAOYSA-N 0 3 414.431 4.262 20 30 HIEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130328 938515111 /nfs/dbraw/zinc/51/51/11/938515111.db2.gz ZFYDKGQIUPXSII-GOSISDBHSA-N 0 3 412.493 4.490 20 30 HIEDHN Cc1ccccc1[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000538390312 938609410 /nfs/dbraw/zinc/60/94/10/938609410.db2.gz ORIWHFAFNSVFIX-JOCHJYFZSA-N 0 3 400.444 4.222 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000539102102 938803154 /nfs/dbraw/zinc/80/31/54/938803154.db2.gz HCWAYGTXPKTLMB-DEOSSOPVSA-N 0 3 410.521 4.149 20 30 HIEDHN COc1ccc(C(=O)Nc2cccc(OCCNCc3ccc(C#N)s3)c2)cc1 ZINC000539502492 938869553 /nfs/dbraw/zinc/86/95/53/938869553.db2.gz FJJPXCJQVYFXAT-UHFFFAOYSA-N 0 3 407.495 4.049 20 30 HIEDHN C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1cccc(C#N)c1 ZINC000539511459 938871016 /nfs/dbraw/zinc/87/10/16/938871016.db2.gz XKDVUZWSGKZNMA-HNNXBMFYSA-N 0 3 400.320 4.008 20 30 HIEDHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000539923817 938978148 /nfs/dbraw/zinc/97/81/48/938978148.db2.gz HHFJFVZNRVFBQZ-UHFFFAOYSA-N 0 3 414.557 4.136 20 30 HIEDHN C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000540358940 939208083 /nfs/dbraw/zinc/20/80/83/939208083.db2.gz BIMIAHDILFKIQK-KRWDZBQOSA-N 0 3 407.905 4.123 20 30 HIEDHN C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000540358943 939208473 /nfs/dbraw/zinc/20/84/73/939208473.db2.gz BIMIAHDILFKIQK-QGZVFWFLSA-N 0 3 407.905 4.123 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000540436452 939248635 /nfs/dbraw/zinc/24/86/35/939248635.db2.gz WVADFPUUVHUVSD-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN Cn1ccnc1[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000540597013 939315390 /nfs/dbraw/zinc/31/53/90/939315390.db2.gz FWBVBHWGXOQSRR-HSZRJFAPSA-N 0 3 419.960 4.289 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000540973281 939422479 /nfs/dbraw/zinc/42/24/79/939422479.db2.gz PQZAONNPTUJCTC-UHFFFAOYSA-N 0 3 402.542 4.261 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026934 939434506 /nfs/dbraw/zinc/43/45/06/939434506.db2.gz JJEPHLQQBRGOHS-QZTJIDSGSA-N 0 3 419.504 4.306 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC000541202444 939485434 /nfs/dbraw/zinc/48/54/34/939485434.db2.gz KLVSXXATYYAVQY-IBGZPJMESA-N 0 3 400.592 4.040 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1 ZINC000543758968 940177005 /nfs/dbraw/zinc/17/70/05/940177005.db2.gz HKJSZDOYJTWSLI-UHFFFAOYSA-N 0 3 400.482 4.480 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000545865369 940642988 /nfs/dbraw/zinc/64/29/88/940642988.db2.gz SFZAHABTNQWKAR-UHFFFAOYSA-N 0 3 418.379 4.288 20 30 HIEDHN N#CC1(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CCCCC1 ZINC000551421634 941475919 /nfs/dbraw/zinc/47/59/19/941475919.db2.gz HSWYORFSVGLWOS-HXUWFJFHSA-N 0 3 423.479 4.105 20 30 HIEDHN Cc1ccc(C2CCN(CC#CCN3CCC(c4ccc(C)nc4)CC3)CC2)cn1 ZINC000551705284 941530200 /nfs/dbraw/zinc/53/02/00/941530200.db2.gz VRRKXIZOTKKYSF-UHFFFAOYSA-N 0 3 402.586 4.156 20 30 HIEDHN N#CCCN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000552012148 941568417 /nfs/dbraw/zinc/56/84/17/941568417.db2.gz SGQYUUDUWXJFKU-HXUWFJFHSA-N 0 3 401.432 4.230 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN[C@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497260 941688945 /nfs/dbraw/zinc/68/89/45/941688945.db2.gz BDVVRXZKYBYUCK-MJGOQNOKSA-N 0 3 403.519 4.129 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@@H]2c2cccnc2)c1C#N ZINC000553890515 941991465 /nfs/dbraw/zinc/99/14/65/941991465.db2.gz WEIVULGMYBNBAM-JOCHJYFZSA-N 0 3 417.513 4.179 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@H]2c2cccnc2)c1C#N ZINC000553890517 941992126 /nfs/dbraw/zinc/99/21/26/941992126.db2.gz WEIVULGMYBNBAM-QFIPXVFZSA-N 0 3 417.513 4.179 20 30 HIEDHN C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](c1ccccc1)N(C)C ZINC000554072972 942030020 /nfs/dbraw/zinc/03/00/20/942030020.db2.gz HORASRRYYTUVBD-KKSFZXQISA-N 0 3 419.554 4.418 20 30 HIEDHN CC(C)N1CC[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555005836 942352696 /nfs/dbraw/zinc/35/26/96/942352696.db2.gz IMZNSPCHJWMIFW-CODJPFMTSA-N 0 3 422.976 4.035 20 30 HIEDHN N#Cc1ccc2ncc(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)n2c1 ZINC000556617957 942918430 /nfs/dbraw/zinc/91/84/30/942918430.db2.gz REWABYKIHMQWMF-UHFFFAOYSA-N 0 3 400.404 4.020 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558532140 943590111 /nfs/dbraw/zinc/59/01/11/943590111.db2.gz ITJCOOSGYLGTNC-AWEZNQCLSA-N 0 3 424.800 4.329 20 30 HIEDHN COCc1cccc(OCC2(CN3CCC(C#N)(c4ccccn4)CC3)CCC2)c1 ZINC000558629366 943621194 /nfs/dbraw/zinc/62/11/94/943621194.db2.gz PPKFESSHHRWQOX-UHFFFAOYSA-N 0 3 405.542 4.334 20 30 HIEDHN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000558805402 943670748 /nfs/dbraw/zinc/67/07/48/943670748.db2.gz FRUWJTXIBFJIIT-IBGZPJMESA-N 0 3 405.542 4.091 20 30 HIEDHN N#CCc1ccc(OC[C@H](O)CN[C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160553 944488628 /nfs/dbraw/zinc/48/86/28/944488628.db2.gz IONKOOFFFZMGAV-BWKNWUBXSA-N 0 3 404.485 4.205 20 30 HIEDHN C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000562024736 944899208 /nfs/dbraw/zinc/89/92/08/944899208.db2.gz MXHIRFIOYYXSBE-GCJKJVERSA-N 0 3 417.557 4.430 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000565332139 945813227 /nfs/dbraw/zinc/81/32/27/945813227.db2.gz BLRBNGGBTPRLME-GCJKJVERSA-N 0 3 410.583 4.335 20 30 HIEDHN COC(=O)c1sc2ccccc2c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000569871586 947027482 /nfs/dbraw/zinc/02/74/82/947027482.db2.gz YQUYXJUBDSCCJW-UHFFFAOYSA-N 0 3 419.550 4.267 20 30 HIEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(C#N)cc2)CC1 ZINC000571458893 947659116 /nfs/dbraw/zinc/65/91/16/947659116.db2.gz STUDLWPDUIEBCV-UHFFFAOYSA-N 0 3 412.331 4.057 20 30 HIEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164628833 719089620 /nfs/dbraw/zinc/08/96/20/719089620.db2.gz OXGQIWUYJCALLE-APWZRJJASA-N 0 3 402.876 4.252 20 30 HIEDHN COc1cc(CN(C)[C@@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000436256023 861566823 /nfs/dbraw/zinc/56/68/23/861566823.db2.gz ZJADWJLXKXXKSV-QHCPKHFHSA-N 0 3 402.494 4.311 20 30 HIEDHN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c(C#N)cc1N(C)C ZINC000436483459 861819993 /nfs/dbraw/zinc/81/99/93/861819993.db2.gz CHWMHWZOJHXYHV-IBGZPJMESA-N 0 3 405.546 4.061 20 30 HIEDHN COc1cc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1OC ZINC000047698221 849093007 /nfs/dbraw/zinc/09/30/07/849093007.db2.gz RPQOURGEAFCAMR-UHFFFAOYSA-N 0 3 418.493 4.453 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1 ZINC000048298131 849205097 /nfs/dbraw/zinc/20/50/97/849205097.db2.gz DWSFLONKQPJPGB-UHFFFAOYSA-N 0 3 415.493 4.125 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000052710382 849616335 /nfs/dbraw/zinc/61/63/35/849616335.db2.gz KZJMECMTPYGFLK-QFIPXVFZSA-N 0 3 414.525 4.078 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc2ccccc2c1 ZINC000058967385 850970349 /nfs/dbraw/zinc/97/03/49/850970349.db2.gz JBSWDZDLCQRCNE-UHFFFAOYSA-N 0 3 403.551 4.394 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000060576014 851153187 /nfs/dbraw/zinc/15/31/87/851153187.db2.gz IIBUIOZUZAZOIN-UXHICEINSA-N 0 3 415.459 4.271 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2cccs2)c1 ZINC000065930530 852320219 /nfs/dbraw/zinc/32/02/19/852320219.db2.gz VNXWBGFSIKSFCD-UHFFFAOYSA-N 0 3 419.550 4.403 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000065930705 852320501 /nfs/dbraw/zinc/32/05/01/852320501.db2.gz SWHZFYOGKRXBAX-UHFFFAOYSA-N 0 3 421.472 4.073 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327569 852602353 /nfs/dbraw/zinc/60/23/53/852602353.db2.gz PLCUGIVAXJWORQ-RTWAWAEBSA-N 0 3 415.459 4.271 20 30 HIEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237238320 853989027 /nfs/dbraw/zinc/98/90/27/853989027.db2.gz UJEGRXJHYWMNGA-UHFFFAOYSA-N 0 3 403.438 4.344 20 30 HIEDHN N#CCCn1cc(CNCc2cc(Cl)c3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC000237821652 854104607 /nfs/dbraw/zinc/10/46/07/854104607.db2.gz VTSLKWUGGSZZPI-UHFFFAOYSA-N 0 3 408.889 4.178 20 30 HIEDHN N#Cc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)cc1 ZINC000301894112 854487136 /nfs/dbraw/zinc/48/71/36/854487136.db2.gz WTDVZTKCGJZLLH-UHFFFAOYSA-N 0 3 413.481 4.241 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)CC1 ZINC000303254845 854837707 /nfs/dbraw/zinc/83/77/07/854837707.db2.gz GOJOWNGTSBEMMC-UHFFFAOYSA-N 0 3 410.543 4.257 20 30 HIEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)CC1 ZINC000303313826 854867850 /nfs/dbraw/zinc/86/78/50/854867850.db2.gz SWLMZSDPLXBVOA-UHFFFAOYSA-N 0 3 421.372 4.105 20 30 HIEDHN CN1CCC[C@@H](CNC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546144 862878168 /nfs/dbraw/zinc/87/81/68/862878168.db2.gz FOMSQOMVTDUXQI-YJBOKZPZSA-N 0 3 407.461 4.451 20 30 HIEDHN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794958 857343994 /nfs/dbraw/zinc/34/39/94/857343994.db2.gz PCZZAQBTTNQTLX-JPYJTQIMSA-N 0 3 412.493 4.420 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289012 857591838 /nfs/dbraw/zinc/59/18/38/857591838.db2.gz BONBYUGAUIJKQV-ZLXGRDSLSA-N 0 3 406.368 4.105 20 30 HIEDHN CCc1ccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)N(C)C)cc1 ZINC000429717449 857848450 /nfs/dbraw/zinc/84/84/50/857848450.db2.gz CDDXDZLOFIHKIT-QHCPKHFHSA-N 0 3 415.541 4.059 20 30 HIEDHN CCOc1c(Br)cc(CNCC2(CC#N)CC2)cc1Br ZINC000430034652 858004627 /nfs/dbraw/zinc/00/46/27/858004627.db2.gz KQQQCRJWNQKQMW-UHFFFAOYSA-N 0 3 402.130 4.394 20 30 HIEDHN C=CCn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccoc1C ZINC000430124060 858042325 /nfs/dbraw/zinc/04/23/25/858042325.db2.gz RMKUQFWULPOSAG-FQEVSTJZSA-N 0 3 424.570 4.416 20 30 HIEDHN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1Cl ZINC000437732547 863061583 /nfs/dbraw/zinc/06/15/83/863061583.db2.gz MSGHVMXBWCAAQM-TZIWHRDSSA-N 0 3 406.917 4.473 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000431919416 858870357 /nfs/dbraw/zinc/87/03/57/858870357.db2.gz QABOXSXXVISFMR-UHFFFAOYSA-N 0 3 405.258 4.238 20 30 HIEDHN COc1cc(OC)c(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000433013684 859478470 /nfs/dbraw/zinc/47/84/70/859478470.db2.gz OXEJHSYALFZZJI-KRWDZBQOSA-N 0 3 401.894 4.320 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034278 859492183 /nfs/dbraw/zinc/49/21/83/859492183.db2.gz XWCPZBYABJIYNY-IFMALSPDSA-N 0 3 404.539 4.373 20 30 HIEDHN N#CCCn1cc(CNCc2ccccc2N2CCCCC2)c(-c2ccncc2)n1 ZINC000433319018 859637281 /nfs/dbraw/zinc/63/72/81/859637281.db2.gz HVCKBZXMLJPRBX-UHFFFAOYSA-N 0 3 400.530 4.139 20 30 HIEDHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433875577 859946688 /nfs/dbraw/zinc/94/66/88/859946688.db2.gz TYODEEVWNYHAKX-SFHVURJKSA-N 0 3 419.550 4.326 20 30 HIEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 ZINC000467690247 881483891 /nfs/dbraw/zinc/48/38/91/881483891.db2.gz COCQLABXQKSCOL-PGRDOPGGSA-N 0 3 412.493 4.138 20 30 HIEDHN C[C@H]1CN(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000434773058 860489973 /nfs/dbraw/zinc/48/99/73/860489973.db2.gz FINHMLOJJRPTGJ-OALUTQOASA-N 0 3 423.582 4.329 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435180470 860681846 /nfs/dbraw/zinc/68/18/46/860681846.db2.gz GSJOHNBYWLBIOV-AWEZNQCLSA-N 0 3 416.513 4.091 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000438667270 864125318 /nfs/dbraw/zinc/12/53/18/864125318.db2.gz BJUSZVKGPRFAEO-UHFFFAOYSA-N 0 3 406.530 4.474 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438671362 864132422 /nfs/dbraw/zinc/13/24/22/864132422.db2.gz YROJRWIEJDLPDT-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc(CCC)cc3)cc2)CC1 ZINC000442303536 867315507 /nfs/dbraw/zinc/31/55/07/867315507.db2.gz XFJSRBUFNALWRJ-UHFFFAOYSA-N 0 3 405.542 4.011 20 30 HIEDHN CS(=O)(=O)c1cccc([C@@H](NCC2CCC(C#N)CC2)c2ccc(F)c(F)c2)c1 ZINC000442848652 867696841 /nfs/dbraw/zinc/69/68/41/867696841.db2.gz AVBKZLFFMLNKTF-WTOQYCPUSA-N 0 3 418.509 4.377 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000444629316 868920085 /nfs/dbraw/zinc/92/00/85/868920085.db2.gz COBCEOQYJDCHCA-LJQANCHMSA-N 0 3 400.567 4.356 20 30 HIEDHN N#Cc1ccc(Oc2ccc(N3C(=O)NC(CC(F)(F)F)C3=O)cc2Cl)cc1 ZINC000445982466 869946587 /nfs/dbraw/zinc/94/65/87/869946587.db2.gz NGQBEVBJFOAUKT-AWEZNQCLSA-N 0 3 409.751 4.381 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccco2)cc1F ZINC000448249648 872167395 /nfs/dbraw/zinc/16/73/95/872167395.db2.gz PESNZBRTFCWRTD-UHFFFAOYSA-N 0 3 420.488 4.231 20 30 HIEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460955213 873852713 /nfs/dbraw/zinc/85/27/13/873852713.db2.gz DKNXNKUTQVPVGG-ROUUACIJSA-N 0 3 415.607 4.074 20 30 HIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000468836010 882883001 /nfs/dbraw/zinc/88/30/01/882883001.db2.gz GAYHQIDWLXTJEB-PXNSSMCTSA-N 0 3 407.539 4.423 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462040459 875155056 /nfs/dbraw/zinc/15/50/56/875155056.db2.gz NTSFQPYHHLHROA-QGZVFWFLSA-N 0 3 402.951 4.034 20 30 HIEDHN Cc1nc2ccc(Br)cc2c(N2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000462918322 875946024 /nfs/dbraw/zinc/94/60/24/875946024.db2.gz HGEZDEIACPJRPO-UHFFFAOYSA-N 0 3 422.330 4.207 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000464835347 878094229 /nfs/dbraw/zinc/09/42/29/878094229.db2.gz HYYGFYXPNFRXCO-HSZRJFAPSA-N 0 3 418.585 4.147 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000465868994 879519547 /nfs/dbraw/zinc/51/95/47/879519547.db2.gz XUTFBZNGBXQBQS-UHFFFAOYSA-N 0 3 413.484 4.332 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2ccccc2COc2ccccc2Cl)CC1 ZINC000465875125 879527603 /nfs/dbraw/zinc/52/76/03/879527603.db2.gz ZKLDMMXPCCCRNT-UHFFFAOYSA-N 0 3 413.949 4.369 20 30 HIEDHN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467037296 880834459 /nfs/dbraw/zinc/83/44/59/880834459.db2.gz WYODSKQCYHFGDD-QHCPKHFHSA-N 0 3 410.537 4.038 20 30 HIEDHN CC(C)(C)c1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cn21 ZINC000469685386 883869749 /nfs/dbraw/zinc/86/97/49/883869749.db2.gz OJFOPQQOXYNTQU-CYBMUJFWSA-N 0 3 408.412 4.262 20 30 HIEDHN CCC1(CC)Oc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2O1 ZINC000470538849 884942173 /nfs/dbraw/zinc/94/21/73/884942173.db2.gz XIQFYVCAQRNITI-UHFFFAOYSA-N 0 3 422.529 4.441 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000504248584 913113992 /nfs/dbraw/zinc/11/39/92/913113992.db2.gz YASFWJBZTNVRSJ-DEOSSOPVSA-N 0 3 405.542 4.051 20 30 HIEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(C(F)(F)F)c(F)c1 ZINC000473522135 888256275 /nfs/dbraw/zinc/25/62/75/888256275.db2.gz PNBQCWHIFIMCGL-UHFFFAOYSA-N 0 3 412.349 4.380 20 30 HIEDHN COc1ccc(CN2CCC(O)(Cc3cccc(C)c3)CC2)cc1OCCCC#N ZINC000475500661 890410440 /nfs/dbraw/zinc/41/04/40/890410440.db2.gz GTHRKVRRUYFXHB-UHFFFAOYSA-N 0 3 408.542 4.256 20 30 HIEDHN C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000504825125 913541997 /nfs/dbraw/zinc/54/19/97/913541997.db2.gz HMTREUPSKVFKIY-CYFREDJKSA-N 0 3 400.526 4.020 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)CC1 ZINC000504925859 913663735 /nfs/dbraw/zinc/66/37/35/913663735.db2.gz SAZZYHRMQXSGCP-UHFFFAOYSA-N 0 3 405.848 4.443 20 30 HIEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000477839949 892899106 /nfs/dbraw/zinc/89/91/06/892899106.db2.gz BEHXDKVLCRQFHG-IBGZPJMESA-N 0 3 408.479 4.334 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000479790092 895093798 /nfs/dbraw/zinc/09/37/98/895093798.db2.gz QZJUXBOQOSGPEQ-QHCPKHFHSA-N 0 3 409.578 4.389 20 30 HIEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2cc(Br)ccc2n1 ZINC000505417515 914082511 /nfs/dbraw/zinc/08/25/11/914082511.db2.gz YTIFXDLGWNDTHF-MRXNPFEDSA-N 0 3 424.302 4.114 20 30 HIEDHN CC(C)CC(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000505422818 914087125 /nfs/dbraw/zinc/08/71/25/914087125.db2.gz XSPCAXNQHGNGPR-UHFFFAOYSA-N 0 3 421.545 4.139 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cccc(C(C)=O)c1 ZINC000505433964 914099008 /nfs/dbraw/zinc/09/90/08/914099008.db2.gz ULAZRCKNWJGFIY-LJQANCHMSA-N 0 3 415.449 4.168 20 30 HIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481737170 897131930 /nfs/dbraw/zinc/13/19/30/897131930.db2.gz OMHBPSWLCQVLCV-XZOQPEGZSA-N 0 3 422.573 4.147 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000481751697 897142397 /nfs/dbraw/zinc/14/23/97/897142397.db2.gz RRHIJWJDRCNJFF-GOSISDBHSA-N 0 3 404.432 4.024 20 30 HIEDHN N#CCCn1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000482316708 897814601 /nfs/dbraw/zinc/81/46/01/897814601.db2.gz YSNMNUMEBPDKBB-UHFFFAOYSA-N 0 3 418.516 4.172 20 30 HIEDHN CCCc1c(NC(=O)N(CCC)CCN2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000482501966 898083257 /nfs/dbraw/zinc/08/32/57/898083257.db2.gz NOPVCTKRQIFNCE-UHFFFAOYSA-N 0 3 422.577 4.426 20 30 HIEDHN COc1cc(F)c([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890766 898507548 /nfs/dbraw/zinc/50/75/48/898507548.db2.gz NSZHGEYEELKRNN-ZBFHGGJFSA-N 0 3 401.457 4.173 20 30 HIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892861 898511459 /nfs/dbraw/zinc/51/14/59/898511459.db2.gz VFLAGJFKDWLEQU-WBVHZDCISA-N 0 3 424.911 4.251 20 30 HIEDHN Cc1ccc(-c2noc([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000483660342 899321527 /nfs/dbraw/zinc/32/15/27/899321527.db2.gz MFCPBFAUNGBMCO-KRWDZBQOSA-N 0 3 419.504 4.371 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cc(C)ccc1F ZINC000505755377 914427257 /nfs/dbraw/zinc/42/72/57/914427257.db2.gz FBEZMYAWUUXYTJ-MRXNPFEDSA-N 0 3 405.429 4.413 20 30 HIEDHN COCCN(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000485049375 900381582 /nfs/dbraw/zinc/38/15/82/900381582.db2.gz ZKHMOWIKIYBILU-UHFFFAOYSA-N 0 3 405.420 4.054 20 30 HIEDHN COCCSc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324239 900606820 /nfs/dbraw/zinc/60/68/20/900606820.db2.gz VTTWILACCCETBT-VGOFRKELSA-N 0 3 409.555 4.143 20 30 HIEDHN C=CCSc1ccccc1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000485454661 900749220 /nfs/dbraw/zinc/74/92/20/900749220.db2.gz MULIMVRGSXIEHM-UHFFFAOYSA-N 0 3 409.599 4.032 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487186429 902090737 /nfs/dbraw/zinc/09/07/37/902090737.db2.gz PAAZNDLDPFWSOV-DEOSSOPVSA-N 0 3 404.558 4.382 20 30 HIEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488296933 902759237 /nfs/dbraw/zinc/75/92/37/902759237.db2.gz KBWVAHGPSWDROJ-SFHVURJKSA-N 0 3 420.513 4.068 20 30 HIEDHN CC(C)CCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457156 902834266 /nfs/dbraw/zinc/83/42/66/902834266.db2.gz AAQNJVQDUUITDL-YADARESESA-N 0 3 405.542 4.435 20 30 HIEDHN CC[C@@H](CSc1ccc(Cl)cc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471581 902842370 /nfs/dbraw/zinc/84/23/70/902842370.db2.gz CNWKWNIEQIPWSV-FPOVZHCZSA-N 0 3 413.974 4.473 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000488809446 903014352 /nfs/dbraw/zinc/01/43/52/903014352.db2.gz NNECWEJQFHFEJN-SFHVURJKSA-N 0 3 406.368 4.022 20 30 HIEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000489260479 903295613 /nfs/dbraw/zinc/29/56/13/903295613.db2.gz SNXLXGYUCZTDLF-HSZRJFAPSA-N 0 3 411.546 4.005 20 30 HIEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000490099912 903770235 /nfs/dbraw/zinc/77/02/35/903770235.db2.gz ZIUUUDNDYVFRLW-GOSISDBHSA-N 0 3 417.962 4.410 20 30 HIEDHN N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000493961266 905312317 /nfs/dbraw/zinc/31/23/17/905312317.db2.gz MUHRBBVVXUETOH-XMMPIXPASA-N 0 3 411.505 4.142 20 30 HIEDHN Cc1cc(Br)cc2c1[C@H](N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481413 905764191 /nfs/dbraw/zinc/76/41/91/905764191.db2.gz GNMGQWCIHNOSQN-UXHICEINSA-N 0 3 424.342 4.007 20 30 HIEDHN CS[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H]1N(C)C ZINC000495695382 906525714 /nfs/dbraw/zinc/52/57/14/906525714.db2.gz CGXWIIFCNRUGDE-QUCCMNQESA-N 0 3 415.946 4.122 20 30 HIEDHN CCCOc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000512604626 921257096 /nfs/dbraw/zinc/25/70/96/921257096.db2.gz NFTXEWLZIICUAI-UHFFFAOYSA-N 0 3 407.514 4.206 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(OC(F)F)cc1 ZINC000497654477 907145202 /nfs/dbraw/zinc/14/52/02/907145202.db2.gz TUFFGGWCXNTBJQ-UHFFFAOYSA-N 0 3 408.518 4.386 20 30 HIEDHN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499056170 908425267 /nfs/dbraw/zinc/42/52/67/908425267.db2.gz OGALRQDRIJIRCF-INIZCTEOSA-N 0 3 401.963 4.283 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056425 908427630 /nfs/dbraw/zinc/42/76/30/908427630.db2.gz PAJZRGNQUYJGIX-RTWAWAEBSA-N 0 3 415.459 4.271 20 30 HIEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000512923055 921417218 /nfs/dbraw/zinc/41/72/18/921417218.db2.gz POUDYBVJERSQSF-INIZCTEOSA-N 0 3 406.486 4.131 20 30 HIEDHN Cc1nc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000499365324 908734009 /nfs/dbraw/zinc/73/40/09/908734009.db2.gz TWOGJLNBRNXVIM-UHFFFAOYSA-N 0 3 417.340 4.307 20 30 HIEDHN CC(C)N(CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000499524109 908828780 /nfs/dbraw/zinc/82/87/80/908828780.db2.gz SHIOVPBKQYHFBL-UHFFFAOYSA-N 0 3 411.468 4.455 20 30 HIEDHN N#CCCCOc1cccc(CN[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000500253398 909740208 /nfs/dbraw/zinc/74/02/08/909740208.db2.gz YKHMYKRPCVXLPL-MRXNPFEDSA-N 0 3 401.869 4.057 20 30 HIEDHN COc1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1OCCCC#N ZINC000513107931 921556238 /nfs/dbraw/zinc/55/62/38/921556238.db2.gz YREYXXJZTRAJQM-NRFANRHFSA-N 0 3 421.541 4.020 20 30 HIEDHN C=C(C)[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014765 910979496 /nfs/dbraw/zinc/97/94/96/910979496.db2.gz GEUZBUOWRVCCJY-LEWJYISDSA-N 0 3 403.473 4.193 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000502182425 911110656 /nfs/dbraw/zinc/11/06/56/911110656.db2.gz OTRSKXVVXZILJD-DEOSSOPVSA-N 0 3 400.526 4.022 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000502284192 911236638 /nfs/dbraw/zinc/23/66/38/911236638.db2.gz XPXDJMRMPYMNRJ-DEOSSOPVSA-N 0 3 400.526 4.194 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc2ccccc21 ZINC000502941641 911927431 /nfs/dbraw/zinc/92/74/31/911927431.db2.gz WSWIXYLJEFEAKZ-UHFFFAOYSA-N 0 3 400.526 4.027 20 30 HIEDHN C=C(C)COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506292853 914889112 /nfs/dbraw/zinc/88/91/12/914889112.db2.gz CGWMMLRWXFAZJN-UHFFFAOYSA-N 0 3 405.542 4.230 20 30 HIEDHN COc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000506294515 914889715 /nfs/dbraw/zinc/88/97/15/914889715.db2.gz JRVSGEWLHUMYPD-UHFFFAOYSA-N 0 3 411.521 4.225 20 30 HIEDHN Cc1ccc([C@H](OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000506340101 914956110 /nfs/dbraw/zinc/95/61/10/914956110.db2.gz RJDCVFAVPSKWOV-CLJLJLNGSA-N 0 3 400.522 4.466 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1OCCc2ccccc21 ZINC000507234259 915992152 /nfs/dbraw/zinc/99/21/52/915992152.db2.gz PWVVRBFQBJNIST-FQEVSTJZSA-N 0 3 409.555 4.073 20 30 HIEDHN COc1ccc(Cl)cc1NC(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507858703 916687534 /nfs/dbraw/zinc/68/75/34/916687534.db2.gz HQJCUVVHCOVKFK-UHFFFAOYSA-N 0 3 413.905 4.092 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)ccc1OC ZINC000508009207 916847462 /nfs/dbraw/zinc/84/74/62/916847462.db2.gz NSZBBGSUUDXVON-UHFFFAOYSA-N 0 3 409.530 4.204 20 30 HIEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1OC ZINC000509381476 918048819 /nfs/dbraw/zinc/04/88/19/918048819.db2.gz YTYXHNGYQUXGLG-KRWDZBQOSA-N 0 3 415.921 4.159 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2c(C#N)cnc3c(C)cc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000509624105 918271519 /nfs/dbraw/zinc/27/15/19/918271519.db2.gz HJNQWKGAIOGJKH-GAJHUEQPSA-N 0 3 420.536 4.197 20 30 HIEDHN CC[C@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252112 918787470 /nfs/dbraw/zinc/78/74/70/918787470.db2.gz DNZFFPQLMVDXDC-WQASXFKFSA-N 0 3 401.551 4.064 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC(CC(=O)N4CCCC4)CC3)c2)c1 ZINC000510500123 918949453 /nfs/dbraw/zinc/94/94/53/918949453.db2.gz CSBJUQHYDRZETO-UHFFFAOYSA-N 0 3 417.553 4.362 20 30 HIEDHN N#CCCN(C(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000511670222 920336808 /nfs/dbraw/zinc/33/68/08/920336808.db2.gz GVMAJCJGHNLWFL-XPWALMASSA-N 0 3 423.944 4.091 20 30 HIEDHN N#CCCN(C(=O)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000511670221 920337298 /nfs/dbraw/zinc/33/72/98/920337298.db2.gz GVMAJCJGHNLWFL-VJBWXMMDSA-N 0 3 423.944 4.091 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000512256223 921014246 /nfs/dbraw/zinc/01/42/46/921014246.db2.gz ARCBTBHEYNDZMH-UHFFFAOYSA-N 0 3 403.526 4.170 20 30 HIEDHN C=CCc1cc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000514217684 922552783 /nfs/dbraw/zinc/55/27/83/922552783.db2.gz FCNWSIJYQXLONB-QFIPXVFZSA-N 0 3 423.557 4.069 20 30 HIEDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820656 922813958 /nfs/dbraw/zinc/81/39/58/922813958.db2.gz VBYPGMVTDRFAOC-CVDCTZTESA-N 0 3 403.526 4.006 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540116 924253686 /nfs/dbraw/zinc/25/36/86/924253686.db2.gz NTLQHGQJWGWPPC-LAUBAEHRSA-N 0 3 415.459 4.192 20 30 HIEDHN CC(C)(CCC#N)CN1CC(C(=O)N2CC(C)(C)c3cc(N4CCCC4)ccc32)C1 ZINC000517588877 926698858 /nfs/dbraw/zinc/69/88/58/926698858.db2.gz RRONCBIJDPXPIW-UHFFFAOYSA-N 0 3 408.590 4.173 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000517714459 926809982 /nfs/dbraw/zinc/80/99/82/926809982.db2.gz NLFMWUUEJIPZSO-RXVVDRJESA-N 0 3 422.573 4.090 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000518001320 926941115 /nfs/dbraw/zinc/94/11/15/926941115.db2.gz BNXKWWFJHPHKDW-UHFFFAOYSA-N 0 3 406.368 4.168 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1 ZINC000518496853 927309224 /nfs/dbraw/zinc/30/92/24/927309224.db2.gz KALMUZALPANITD-UHFFFAOYSA-N 0 3 415.534 4.218 20 30 HIEDHN C=CCc1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc(OC)c1O ZINC000519721550 928056713 /nfs/dbraw/zinc/05/67/13/928056713.db2.gz HUORKQIUZSAQFE-MRXNPFEDSA-N 0 3 409.452 4.261 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(Cl)cccc1Cl ZINC000519926553 928157952 /nfs/dbraw/zinc/15/79/52/928157952.db2.gz SFPFFRKBXRIVPV-UHFFFAOYSA-N 0 3 405.329 4.138 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000519926469 928159097 /nfs/dbraw/zinc/15/90/97/928159097.db2.gz HDCWYOQYAZVUIT-QHCPKHFHSA-N 0 3 404.558 4.444 20 30 HIEDHN N#CC(C(=O)c1csc(I)c1)c1ccc(C(F)(F)F)cn1 ZINC000520791612 928820186 /nfs/dbraw/zinc/82/01/86/928820186.db2.gz ZOYFQYDJLDHOGU-SECBINFHSA-N 0 3 422.169 4.257 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1 ZINC000521576898 929307230 /nfs/dbraw/zinc/30/72/30/929307230.db2.gz SXDKAYYFTHVWHQ-UHFFFAOYSA-N 0 3 411.571 4.090 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000521676714 929360074 /nfs/dbraw/zinc/36/00/74/929360074.db2.gz TVXVYHKTVOPPRU-UHFFFAOYSA-N 0 3 400.473 4.362 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521721995 929389618 /nfs/dbraw/zinc/38/96/18/929389618.db2.gz ZZZVXZPEAZAOEW-FQEVSTJZSA-N 0 3 411.477 4.161 20 30 HIEDHN N#Cc1cccc(OC2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)c1 ZINC000524666569 929781414 /nfs/dbraw/zinc/78/14/14/929781414.db2.gz DPSPXYLKVHGIPM-UHFFFAOYSA-N 0 3 401.869 4.223 20 30 HIEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(Br)cc3F)C2)c(F)c1 ZINC000524688131 929799671 /nfs/dbraw/zinc/79/96/71/929799671.db2.gz ZTWWJMYSYUFRAB-MRXNPFEDSA-N 0 3 406.274 4.358 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)CC1 ZINC000524946769 929908127 /nfs/dbraw/zinc/90/81/27/929908127.db2.gz KDGOMHNYTOSDAU-SFHVURJKSA-N 0 3 419.997 4.353 20 30 HIEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802570 930449727 /nfs/dbraw/zinc/44/97/27/930449727.db2.gz WEEPWQGUSMZTKM-OXJNMPFZSA-N 0 3 423.513 4.338 20 30 HIEDHN COc1ccc([C@@H](CCn2cncn2)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000527109567 930593409 /nfs/dbraw/zinc/59/34/09/930593409.db2.gz SYAQDKGSECAQJW-OAQYLSRUSA-N 0 3 414.431 4.078 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000530908059 930856191 /nfs/dbraw/zinc/85/61/91/930856191.db2.gz TZAWAGDDPKMPJJ-HXUWFJFHSA-N 0 3 403.448 4.319 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C#N)cc1 ZINC000531695243 931158509 /nfs/dbraw/zinc/15/85/09/931158509.db2.gz BWLGEGUMDZPUHR-SJORKVTESA-N 0 3 409.511 4.042 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CNC2(c3ccccc3)CCOCC2)ccc1Cl ZINC000532707984 931599120 /nfs/dbraw/zinc/59/91/20/931599120.db2.gz KLQYIOUIQFBZHF-UHFFFAOYSA-N 0 3 411.933 4.191 20 30 HIEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000533287151 931828193 /nfs/dbraw/zinc/82/81/93/931828193.db2.gz MJLCHFSUEKQBAU-LJQANCHMSA-N 0 3 405.542 4.356 20 30 HIEDHN COc1ccc(C[C@H](NCC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1OC ZINC000538157799 938527710 /nfs/dbraw/zinc/52/77/10/938527710.db2.gz DRRIEGRNRHSDEK-QFIPXVFZSA-N 0 3 415.493 4.088 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)ccc1Cl ZINC000538188330 938544436 /nfs/dbraw/zinc/54/44/36/938544436.db2.gz SIHPTXNFLHNIAP-GOSISDBHSA-N 0 3 421.932 4.432 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000538390945 938609560 /nfs/dbraw/zinc/60/95/60/938609560.db2.gz HAVPGDPBHZZBOU-VWLOTQADSA-N 0 3 419.525 4.062 20 30 HIEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c2cnn(Cc3cccs3)c2n1 ZINC000538547041 938646125 /nfs/dbraw/zinc/64/61/25/938646125.db2.gz VVXZQFJUDXXXFW-MRXNPFEDSA-N 0 3 412.478 4.216 20 30 HIEDHN N#Cc1cccc(CNC(=O)CN[C@@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000539279245 938832448 /nfs/dbraw/zinc/83/24/48/938832448.db2.gz BOSUQBVWGGDELC-OAQYLSRUSA-N 0 3 412.331 4.068 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000539334433 938843525 /nfs/dbraw/zinc/84/35/25/938843525.db2.gz WTWXSBZINNSRGE-QPPBQGQZSA-N 0 3 405.542 4.308 20 30 HIEDHN C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539608407 938887602 /nfs/dbraw/zinc/88/76/02/938887602.db2.gz JVZHOCUYDFIKDT-CQSZACIVSA-N 0 3 418.310 4.159 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000539672198 938898342 /nfs/dbraw/zinc/89/83/42/938898342.db2.gz BHLTYCKKTJRUEE-UHFFFAOYSA-N 0 3 407.345 4.258 20 30 HIEDHN C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540353728 939205115 /nfs/dbraw/zinc/20/51/15/939205115.db2.gz FEQGDUIIGHKHOU-SNTJIJGESA-N 0 3 410.562 4.005 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000540476627 939268286 /nfs/dbraw/zinc/26/82/86/939268286.db2.gz IPRZQTYLDVMRJG-PMACEKPBSA-N 0 3 420.557 4.281 20 30 HIEDHN C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778780 939369220 /nfs/dbraw/zinc/36/92/20/939369220.db2.gz HUORLAWUQKJBPG-YWZLYKJASA-N 0 3 401.432 4.419 20 30 HIEDHN CCc1ccc([C@H](CO)NCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000542914396 939876796 /nfs/dbraw/zinc/87/67/96/939876796.db2.gz UTLNHVIXGXWNQH-FQEVSTJZSA-N 0 3 411.571 4.103 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000543523469 940095978 /nfs/dbraw/zinc/09/59/78/940095978.db2.gz VGMMNBZXFVOPKQ-UHFFFAOYSA-N 0 3 403.548 4.257 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc1 ZINC000543759327 940177018 /nfs/dbraw/zinc/17/70/18/940177018.db2.gz JQIRKVWMHCOMCK-UHFFFAOYSA-N 0 3 416.569 4.190 20 30 HIEDHN C[C@H]1CN(c2ccccc2NC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543758896 940177208 /nfs/dbraw/zinc/17/72/08/940177208.db2.gz IZKXFHJOOHEEKW-PMACEKPBSA-N 0 3 404.558 4.248 20 30 HIEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000543779647 940184908 /nfs/dbraw/zinc/18/49/08/940184908.db2.gz GEKIYWUDNNCAMZ-UHFFFAOYSA-N 0 3 415.578 4.235 20 30 HIEDHN Cn1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544031466 940305076 /nfs/dbraw/zinc/30/50/76/940305076.db2.gz IPCDJKFDUFBBJB-SFHVURJKSA-N 0 3 414.435 4.011 20 30 HIEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548303331 941095015 /nfs/dbraw/zinc/09/50/15/941095015.db2.gz GUOHIHYMVCBJQH-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000550292258 941310019 /nfs/dbraw/zinc/31/00/19/941310019.db2.gz UDCVAVXDNMIZMP-JPYJTQIMSA-N 0 3 409.505 4.350 20 30 HIEDHN C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000551813463 941550822 /nfs/dbraw/zinc/55/08/22/941550822.db2.gz UGQCRMFWCIYWAE-AWEZNQCLSA-N 0 3 403.404 4.453 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000554294567 942094252 /nfs/dbraw/zinc/09/42/52/942094252.db2.gz MCHOXVWDXGNMQL-IRXDYDNUSA-N 0 3 402.560 4.328 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445340 942145997 /nfs/dbraw/zinc/14/59/97/942145997.db2.gz IKYWDEKNYKUHMV-GCJKJVERSA-N 0 3 402.498 4.325 20 30 HIEDHN COc1cccc([C@@H]2[C@H](NCc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131119 942395800 /nfs/dbraw/zinc/39/58/00/942395800.db2.gz ZIIXNGYSQRTNLP-IFMALSPDSA-N 0 3 413.468 4.236 20 30 HIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878555 942947962 /nfs/dbraw/zinc/94/79/62/942947962.db2.gz YSYINKGYCOWVKO-SONWIMMPSA-N 0 3 419.569 4.491 20 30 HIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000556914060 942964460 /nfs/dbraw/zinc/96/44/60/942964460.db2.gz XZSSZNGGPZWFOM-LJQANCHMSA-N 0 3 414.571 4.277 20 30 HIEDHN COc1cc(OC)c2ncc(C#N)c(NC3CCN([C@H](C)c4ccncc4)CC3)c2c1 ZINC000557641986 943245824 /nfs/dbraw/zinc/24/58/24/943245824.db2.gz BBPNVVABOQSPEE-MRXNPFEDSA-N 0 3 417.513 4.156 20 30 HIEDHN Cn1cc(CN2CCC(N3CCc4cc(F)ccc43)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000558730949 943633865 /nfs/dbraw/zinc/63/38/65/943633865.db2.gz VSLBBGQIBISIOL-UHFFFAOYSA-N 0 3 415.516 4.125 20 30 HIEDHN N#Cc1cccc(OCCCCC(=O)N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000560488904 944237928 /nfs/dbraw/zinc/23/79/28/944237928.db2.gz BDDXOENFSHGTFT-UHFFFAOYSA-N 0 3 414.509 4.004 20 30 HIEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382425 945544682 /nfs/dbraw/zinc/54/46/82/945544682.db2.gz SRDTZBKAGDCZEP-XZOQPEGZSA-N 0 3 403.526 4.288 20 30 HIEDHN N#CCc1cccc(Br)c1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000564398021 945554098 /nfs/dbraw/zinc/55/40/98/945554098.db2.gz YMRDNZUXUUQFQH-IBGZPJMESA-N 0 3 415.331 4.185 20 30 HIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433087 945582020 /nfs/dbraw/zinc/58/20/20/945582020.db2.gz HINSOVCZFYLYBH-RTWAWAEBSA-N 0 3 413.443 4.345 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000565332137 945813425 /nfs/dbraw/zinc/81/34/25/945813425.db2.gz BLRBNGGBTPRLME-AVRDEDQJSA-N 0 3 410.583 4.335 20 30 HIEDHN N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)ccn1 ZINC000565922068 945927041 /nfs/dbraw/zinc/92/70/41/945927041.db2.gz JXSSABRGXUKBQM-HXUWFJFHSA-N 0 3 413.481 4.142 20 30 HIEDHN CC(C)(CCC#N)CN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000568129873 946472232 /nfs/dbraw/zinc/47/22/32/946472232.db2.gz WCORZVKVRJHODY-HXUWFJFHSA-N 0 3 406.498 4.377 20 30 HIEDHN COc1ccc(C[C@@H]2CCCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812556 946710781 /nfs/dbraw/zinc/71/07/81/946710781.db2.gz REQMPKALTXUEFK-UNMCSNQZSA-N 0 3 405.542 4.285 20 30 HIEDHN CCSc1cccc(F)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000570323187 947201736 /nfs/dbraw/zinc/20/17/36/947201736.db2.gz MKMCLOBGSLEXKY-UHFFFAOYSA-N 0 3 400.523 4.405 20 30 HIEDHN COc1ccc([C@H](CNc2cccc(Br)c2C#N)N(C)C)cc1OC ZINC000570493268 947267820 /nfs/dbraw/zinc/26/78/20/947267820.db2.gz KKXMISKXKGIHJJ-KRWDZBQOSA-N 0 3 404.308 4.053 20 30 HIEDHN Cc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000570585158 947303420 /nfs/dbraw/zinc/30/34/20/947303420.db2.gz LSWRCQKNTMTARI-NTKDMRAZSA-N 0 3 419.550 4.237 20 30 HIEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000571216694 947552197 /nfs/dbraw/zinc/55/21/97/947552197.db2.gz MQWVHJDYYIMOHZ-CQSZACIVSA-N 0 3 417.431 4.085 20 30 HIEDHN Cc1sc(NC(=O)CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000574461151 948448690 /nfs/dbraw/zinc/44/86/90/948448690.db2.gz CKDADQZPEQPLJL-ZWKOTPCHSA-N 0 3 405.470 4.043 20 30 HIEDHN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000574586407 948482257 /nfs/dbraw/zinc/48/22/57/948482257.db2.gz APBZXRASJGWSGB-UHFFFAOYSA-N 0 3 409.578 4.026 20 30 HIEDHN COc1cc(CNC2(c3cccc(Br)c3)CCOCC2)ccc1C#N ZINC000574896044 948549602 /nfs/dbraw/zinc/54/96/02/948549602.db2.gz WKIFECDCIMHKTH-UHFFFAOYSA-N 0 3 401.304 4.125 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303527 861607716 /nfs/dbraw/zinc/60/77/16/861607716.db2.gz CTQPWEAUHFMIQQ-WTNAPCKOSA-N 0 3 421.509 4.029 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000056015983 850231054 /nfs/dbraw/zinc/23/10/54/850231054.db2.gz RVEPZPQJDJVYOR-UHFFFAOYSA-N 0 3 400.526 4.076 20 30 HIEDHN C=CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c(OC)c1 ZINC000061503225 851391457 /nfs/dbraw/zinc/39/14/57/851391457.db2.gz PNVOKAHMWNZUQA-QFIPXVFZSA-N 0 3 408.542 4.064 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc2ccccc2s1 ZINC000065930039 852320747 /nfs/dbraw/zinc/32/07/47/852320747.db2.gz LTBSWQAJMMULMM-UHFFFAOYSA-N 0 3 406.555 4.081 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000065930746 852320890 /nfs/dbraw/zinc/32/08/90/852320890.db2.gz KKPQRJOGAXGAKT-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000105423656 852704369 /nfs/dbraw/zinc/70/43/69/852704369.db2.gz WGMYXRWUNCFYSY-HXUWFJFHSA-N 0 3 413.905 4.395 20 30 HIEDHN C#CCN1CCC(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000108932906 852894201 /nfs/dbraw/zinc/89/42/01/852894201.db2.gz PVKQPMXHALXVJR-UHFFFAOYSA-N 0 3 405.567 4.141 20 30 HIEDHN CCCC(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236756112 853919751 /nfs/dbraw/zinc/91/97/51/853919751.db2.gz FNAWDYXRDGQAJG-UHFFFAOYSA-N 0 3 401.514 4.492 20 30 HIEDHN COc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1Br ZINC000237233218 853987913 /nfs/dbraw/zinc/98/79/13/853987913.db2.gz SVFWMEVMFQPMPH-UHFFFAOYSA-N 0 3 419.319 4.439 20 30 HIEDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC(F)F)c1 ZINC000237368256 854015401 /nfs/dbraw/zinc/01/54/01/854015401.db2.gz LRSFUAPRFQWXNF-INIZCTEOSA-N 0 3 405.420 4.066 20 30 HIEDHN COc1ccc(OC(F)F)c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000237371265 854016510 /nfs/dbraw/zinc/01/65/10/854016510.db2.gz LOWXXIUFYMFSEK-MRXNPFEDSA-N 0 3 405.420 4.066 20 30 HIEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1OC(F)F ZINC000237450395 854036267 /nfs/dbraw/zinc/03/62/67/854036267.db2.gz BDZVGPQSEYNBKD-UHFFFAOYSA-N 0 3 412.440 4.364 20 30 HIEDHN Cc1cc(N[C@@H](CN2CCN(C)CC2)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000301180405 854321257 /nfs/dbraw/zinc/32/12/57/854321257.db2.gz ZAJIVQQNKYUXIQ-QHCPKHFHSA-N 0 3 424.552 4.068 20 30 HIEDHN N#Cc1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000302196619 854548009 /nfs/dbraw/zinc/54/80/09/854548009.db2.gz FCZMQDHAFQSDJH-UHFFFAOYSA-N 0 3 404.392 4.198 20 30 HIEDHN COc1ccc([C@@H](CNc2c(C#N)cnc3ccc(Cl)cc32)N(C)C)cc1OC ZINC000302587620 854588688 /nfs/dbraw/zinc/58/86/88/854588688.db2.gz VRMAINHVFATBPH-LJQANCHMSA-N 0 3 410.905 4.492 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000303280476 854849399 /nfs/dbraw/zinc/84/93/99/854849399.db2.gz IMGSDUMYJVPHIO-MRXNPFEDSA-N 0 3 420.270 4.012 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000303303484 854861663 /nfs/dbraw/zinc/86/16/63/854861663.db2.gz DENDUDMFDWWYMN-SFHVURJKSA-N 0 3 402.608 4.073 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000303362605 854892770 /nfs/dbraw/zinc/89/27/70/854892770.db2.gz HQGXFNHNOXXVGX-FQEVSTJZSA-N 0 3 422.598 4.227 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)N(C)C)cc1 ZINC000303617153 855079603 /nfs/dbraw/zinc/07/96/03/855079603.db2.gz MJAOGWGXRPAJMT-VWLOTQADSA-N 0 3 413.521 4.478 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000303619657 855081799 /nfs/dbraw/zinc/08/17/99/855081799.db2.gz CXOTYBFWPDPWCR-GPJFCIFZSA-N 0 3 414.619 4.216 20 30 HIEDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000303940684 855305651 /nfs/dbraw/zinc/30/56/51/855305651.db2.gz SOYPDLPHPLJDDQ-ZDUSSCGKSA-N 0 3 402.589 4.457 20 30 HIEDHN CN1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546141 862877353 /nfs/dbraw/zinc/87/73/53/862877353.db2.gz FOMSQOMVTDUXQI-CRAIPNDOSA-N 0 3 407.461 4.451 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)CC1 ZINC000430567287 858222001 /nfs/dbraw/zinc/22/20/01/858222001.db2.gz UQUYNTDRJNFXEE-LJQANCHMSA-N 0 3 406.368 4.254 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430573140 858223671 /nfs/dbraw/zinc/22/36/71/858223671.db2.gz PWHOTJCBGWMQCR-JCNLHEQBSA-N 0 3 424.358 4.174 20 30 HIEDHN C=CCC[C@H](N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708900 858275138 /nfs/dbraw/zinc/27/51/38/858275138.db2.gz VIMAZVVHNZYAES-KSSFIOAISA-N 0 3 423.376 4.455 20 30 HIEDHN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030264 859489783 /nfs/dbraw/zinc/48/97/83/859489783.db2.gz JGEDTDJFICJUEJ-YADHBBJMSA-N 0 3 421.541 4.392 20 30 HIEDHN Cc1ccc(Br)cc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433331142 859646758 /nfs/dbraw/zinc/64/67/58/859646758.db2.gz LMDXQHNIWOZEJD-UHFFFAOYSA-N 0 3 410.319 4.220 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000435379976 860776225 /nfs/dbraw/zinc/77/62/25/860776225.db2.gz OOZRXNROGKKXLH-OAQYLSRUSA-N 0 3 402.498 4.147 20 30 HIEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OCCCC#N ZINC000435768308 861044224 /nfs/dbraw/zinc/04/42/24/861044224.db2.gz CDJNWMDJDLWLSU-SFHVURJKSA-N 0 3 405.502 4.151 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000438608385 864034887 /nfs/dbraw/zinc/03/48/87/864034887.db2.gz MROMHTBCMTXFLW-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438642239 864079022 /nfs/dbraw/zinc/07/90/22/864079022.db2.gz PPVFBIKKPYULRC-UHFFFAOYSA-N 0 3 415.419 4.044 20 30 HIEDHN Cc1nc(-c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)cs1 ZINC000440480792 865786279 /nfs/dbraw/zinc/78/62/79/865786279.db2.gz SJLMQJAGHPEORO-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CN1C1CC1 ZINC000441290043 866364508 /nfs/dbraw/zinc/36/45/08/866364508.db2.gz WWCDYCFVBLONCF-JTSKRJEESA-N 0 3 406.505 4.034 20 30 HIEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442163802 867187729 /nfs/dbraw/zinc/18/77/29/867187729.db2.gz CBZBCIPGGTTYRY-UHFFFAOYSA-N 0 3 412.437 4.114 20 30 HIEDHN C=CCc1cc(CNC2(c3ccc(OC)c(F)c3)CCOCC2)cc(OC)c1O ZINC000444011406 868533713 /nfs/dbraw/zinc/53/37/13/868533713.db2.gz ALNMMBKISAPJQW-UHFFFAOYSA-N 0 3 401.478 4.073 20 30 HIEDHN Cc1coc(-c2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000468322822 882252612 /nfs/dbraw/zinc/25/26/12/882252612.db2.gz VNISIKPUKDBMPH-UHFFFAOYSA-N 0 3 403.486 4.117 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327115 882258320 /nfs/dbraw/zinc/25/83/20/882258320.db2.gz PBKOGPGSOMLXQF-INIZCTEOSA-N 0 3 414.377 4.443 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000445801813 869830523 /nfs/dbraw/zinc/83/05/23/869830523.db2.gz IZKULOQIPJOQAL-UHFFFAOYSA-N 0 3 411.374 4.059 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460935813 873836354 /nfs/dbraw/zinc/83/63/54/873836354.db2.gz WXRPMBKXCHTHIP-UXHICEINSA-N 0 3 402.546 4.015 20 30 HIEDHN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000461694368 874843965 /nfs/dbraw/zinc/84/39/65/874843965.db2.gz VEVWWSPGYHVVQW-UHFFFAOYSA-N 0 3 405.546 4.163 20 30 HIEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462237499 875350724 /nfs/dbraw/zinc/35/07/24/875350724.db2.gz LODOMZQGYXRXRR-WMZHIEFXSA-N 0 3 413.525 4.252 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468969118 883035774 /nfs/dbraw/zinc/03/57/74/883035774.db2.gz MSBPTOCORJMFGF-HXUWFJFHSA-N 0 3 417.340 4.130 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463485278 876544709 /nfs/dbraw/zinc/54/47/09/876544709.db2.gz SFNFFXSAVNVCJH-UHFFFAOYSA-N 0 3 416.500 4.327 20 30 HIEDHN C=CCN1CCC(NC(=O)C2(c3cccc(Br)c3)CCCCC2)CC1 ZINC000463790611 876908712 /nfs/dbraw/zinc/90/87/12/876908712.db2.gz RCPMPBWJJKLBEW-UHFFFAOYSA-N 0 3 405.380 4.418 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(OC(C)(C)C)CC3)sc2C1 ZINC000469043161 883114760 /nfs/dbraw/zinc/11/47/60/883114760.db2.gz RQKJERVRWQQFLW-HNNXBMFYSA-N 0 3 403.592 4.353 20 30 HIEDHN COc1cc(CNCCc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000466425481 880199101 /nfs/dbraw/zinc/19/91/01/880199101.db2.gz NLHPQYUGCXAVDC-UHFFFAOYSA-N 0 3 417.465 4.386 20 30 HIEDHN CC1(C)OCc2cc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc2O1 ZINC000469145938 883241985 /nfs/dbraw/zinc/24/19/85/883241985.db2.gz URWNBMMYJSEQBS-UHFFFAOYSA-N 0 3 405.498 4.054 20 30 HIEDHN C[C@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1Cc1ccccc1 ZINC000469586830 883825253 /nfs/dbraw/zinc/82/52/53/883825253.db2.gz KVVBERZLQWJCAN-FPOVZHCZSA-N 0 3 400.526 4.338 20 30 HIEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)o1 ZINC000504036505 912941761 /nfs/dbraw/zinc/94/17/61/912941761.db2.gz RWWKTGYBVAYCIE-UHFFFAOYSA-N 0 3 417.509 4.243 20 30 HIEDHN C[C@@](C#N)(NC(=O)CNC1(c2cccc(Br)c2)CCCCC1)C1CC1 ZINC000477630462 892746121 /nfs/dbraw/zinc/74/61/21/892746121.db2.gz JGUPLRXLRNMXQS-IBGZPJMESA-N 0 3 404.352 4.007 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036481 893169337 /nfs/dbraw/zinc/16/93/37/893169337.db2.gz KZBAMUPKQUMVNP-HKUYNNGSSA-N 0 3 416.587 4.192 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000480149160 895531867 /nfs/dbraw/zinc/53/18/67/895531867.db2.gz NRDTYHCOUACTQS-UHFFFAOYSA-N 0 3 400.954 4.419 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481523077 896887748 /nfs/dbraw/zinc/88/77/48/896887748.db2.gz YBQRLPPZNBSVCG-RPBOFIJWSA-N 0 3 418.585 4.433 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481654916 897039706 /nfs/dbraw/zinc/03/97/06/897039706.db2.gz CCWDULQSXZKJDO-HSZRJFAPSA-N 0 3 411.571 4.146 20 30 HIEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@@H](C)O1 ZINC000481679940 897063770 /nfs/dbraw/zinc/06/37/70/897063770.db2.gz WMHDPHWNIDTPRF-MPCDZSKCSA-N 0 3 417.553 4.365 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481764583 897152132 /nfs/dbraw/zinc/15/21/32/897152132.db2.gz YFBJUGUXGUWZNH-LEWJYISDSA-N 0 3 400.567 4.214 20 30 HIEDHN COCCN(CCC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000485046655 900380211 /nfs/dbraw/zinc/38/02/11/900380211.db2.gz TXNSGOKKAXDPEB-UHFFFAOYSA-N 0 3 405.420 4.054 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2CC)CC1 ZINC000485345298 900636795 /nfs/dbraw/zinc/63/67/95/900636795.db2.gz BZQUTHVDOYHQJO-UHFFFAOYSA-N 0 3 401.942 4.250 20 30 HIEDHN C=CCSc1ccccc1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485467044 900761243 /nfs/dbraw/zinc/76/12/43/900761243.db2.gz PKRVMXXYUWSTGW-OALUTQOASA-N 0 3 402.604 4.316 20 30 HIEDHN C=CCSc1ccccc1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000485469089 900763023 /nfs/dbraw/zinc/76/30/23/900763023.db2.gz VCRGUIUKYQEPKD-JOCHJYFZSA-N 0 3 409.599 4.073 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486071671 901263904 /nfs/dbraw/zinc/26/39/04/901263904.db2.gz HWXOKUDRKAMCIZ-UHFFFAOYSA-N 0 3 424.504 4.426 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000487740978 902333654 /nfs/dbraw/zinc/33/36/54/902333654.db2.gz PQOBYCOPJJFSKV-ZEQRLZLVSA-N 0 3 404.558 4.358 20 30 HIEDHN N#Cc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1Br ZINC000487838910 902398337 /nfs/dbraw/zinc/39/83/37/902398337.db2.gz OAOVSAAPCMKLCN-INIZCTEOSA-N 0 3 419.348 4.341 20 30 HIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487936141 902465188 /nfs/dbraw/zinc/46/51/88/902465188.db2.gz QGQOYDIWHVHZDE-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488633148 902910671 /nfs/dbraw/zinc/91/06/71/902910671.db2.gz WKVYYHVNJUEOMI-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1C#N ZINC000489617439 903499189 /nfs/dbraw/zinc/49/91/89/903499189.db2.gz CZFCEVHKDDWUSJ-QFIPXVFZSA-N 0 3 420.582 4.428 20 30 HIEDHN CCCC(=O)NC[C@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512417531 921145126 /nfs/dbraw/zinc/14/51/26/921145126.db2.gz ZFWXWCLMYHIQNG-HSZRJFAPSA-N 0 3 405.542 4.266 20 30 HIEDHN CC(C)Cn1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000494360391 905661606 /nfs/dbraw/zinc/66/16/06/905661606.db2.gz PUBQRGQHVKHAHC-UHFFFAOYSA-N 0 3 402.542 4.373 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000497327087 906834389 /nfs/dbraw/zinc/83/43/89/906834389.db2.gz FXJCAGCZWDJFFB-XMMPIXPASA-N 0 3 413.521 4.040 20 30 HIEDHN CN1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497403915 906882915 /nfs/dbraw/zinc/88/29/15/906882915.db2.gz NSENFXGYAIAVKW-RPBOFIJWSA-N 0 3 411.505 4.373 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)c(F)c1 ZINC000512805476 921315283 /nfs/dbraw/zinc/31/52/83/921315283.db2.gz HHBBEJCOJCBRTE-UHFFFAOYSA-N 0 3 401.869 4.223 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1Br ZINC000497872469 907349357 /nfs/dbraw/zinc/34/93/57/907349357.db2.gz DHUXVDYJINSORV-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497901750 907374947 /nfs/dbraw/zinc/37/49/47/907374947.db2.gz WQVNASFHINMIQD-HSZRJFAPSA-N 0 3 407.558 4.429 20 30 HIEDHN COc1cc(CN2CC[C@H](COC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000512824733 921327799 /nfs/dbraw/zinc/32/77/99/921327799.db2.gz WVHSTTRYMVBLFB-IBGZPJMESA-N 0 3 402.441 4.207 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000498373835 907864202 /nfs/dbraw/zinc/86/42/02/907864202.db2.gz LCCAZKSVJFEILY-UHFFFAOYSA-N 0 3 401.963 4.035 20 30 HIEDHN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498381383 907869965 /nfs/dbraw/zinc/86/99/65/907869965.db2.gz BBPDPJVMXCKXPV-INIZCTEOSA-N 0 3 401.963 4.283 20 30 HIEDHN COc1ccc(C[C@@H](NCC(=O)Nc2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000499060520 908429183 /nfs/dbraw/zinc/42/91/83/908429183.db2.gz VLAGBIHXPCSZAZ-XMMPIXPASA-N 0 3 415.493 4.088 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513134851 921576580 /nfs/dbraw/zinc/57/65/80/921576580.db2.gz CUJGPERRMKENTB-XMMPIXPASA-N 0 3 413.521 4.040 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501807558 910858125 /nfs/dbraw/zinc/85/81/25/910858125.db2.gz BBZFLLHXFCPHFH-NRFANRHFSA-N 0 3 415.459 4.193 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000502182426 911111084 /nfs/dbraw/zinc/11/10/84/911111084.db2.gz OTRSKXVVXZILJD-XMMPIXPASA-N 0 3 400.526 4.022 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000502190089 911124402 /nfs/dbraw/zinc/12/44/02/911124402.db2.gz VNZBSYAGFBQOHW-VWLOTQADSA-N 0 3 419.569 4.441 20 30 HIEDHN Cc1ccc([C@H](OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317429 914912881 /nfs/dbraw/zinc/91/28/81/914912881.db2.gz YXEGXZXFUXBCEA-CLJLJLNGSA-N 0 3 400.522 4.466 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000506672653 915347934 /nfs/dbraw/zinc/34/79/34/915347934.db2.gz FFRZQFKHFTUROR-INIZCTEOSA-N 0 3 414.575 4.138 20 30 HIEDHN COc1ccccc1O[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513417335 921784976 /nfs/dbraw/zinc/78/49/76/921784976.db2.gz VEXRVXJDARTQTG-SFHVURJKSA-N 0 3 413.905 4.092 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3OCCc4ccccc43)sc2C1 ZINC000507261615 916022824 /nfs/dbraw/zinc/02/28/24/916022824.db2.gz VYRRGWYKGACLON-IERDGZPVSA-N 0 3 423.582 4.319 20 30 HIEDHN CCN(Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508605129 917375211 /nfs/dbraw/zinc/37/52/11/917375211.db2.gz PVSRSNZTMZKKJR-LJQANCHMSA-N 0 3 421.541 4.151 20 30 HIEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1OC ZINC000509349751 918015192 /nfs/dbraw/zinc/01/51/92/918015192.db2.gz ZZWMMVJWADOMJJ-UHFFFAOYSA-N 0 3 415.921 4.159 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000509600178 918250044 /nfs/dbraw/zinc/25/00/44/918250044.db2.gz LALXPOCUZHTOET-OXJNMPFZSA-N 0 3 405.468 4.220 20 30 HIEDHN C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1=CCN(C)CC1 ZINC000511266708 919864381 /nfs/dbraw/zinc/86/43/81/919864381.db2.gz GGGHTTHQMHTZKS-SFHVURJKSA-N 0 3 404.514 4.104 20 30 HIEDHN N#Cc1cc(F)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c(F)c1 ZINC000511756787 920436409 /nfs/dbraw/zinc/43/64/09/920436409.db2.gz SOYQIRFHGFXNET-NZQKXSOJSA-N 0 3 417.459 4.234 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1C ZINC000511797255 920491279 /nfs/dbraw/zinc/49/12/79/920491279.db2.gz NDCRDMLUFNZOAU-CUYJMHBOSA-N 0 3 417.553 4.055 20 30 HIEDHN CCc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)N(C)C)cc1 ZINC000511816810 920513892 /nfs/dbraw/zinc/51/38/92/920513892.db2.gz HAOMSJYBBWCKPP-QFIPXVFZSA-N 0 3 417.509 4.325 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(-c2ccccc2)o1 ZINC000514874236 922827433 /nfs/dbraw/zinc/82/74/33/922827433.db2.gz GDBSNXSNSBQFNB-UHFFFAOYSA-N 0 3 409.559 4.440 20 30 HIEDHN COc1cccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)N2CCCC2)c1 ZINC000515117943 922931318 /nfs/dbraw/zinc/93/13/18/922931318.db2.gz MKFDDWJGJLABKV-JOCHJYFZSA-N 0 3 406.530 4.455 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)CC1 ZINC000517304328 924090668 /nfs/dbraw/zinc/09/06/68/924090668.db2.gz HHBMDWKHALETQB-UHFFFAOYSA-N 0 3 417.557 4.368 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000517751436 926822832 /nfs/dbraw/zinc/82/28/32/926822832.db2.gz DXXQJEYQRNUNAF-ZEQRLZLVSA-N 0 3 404.558 4.358 20 30 HIEDHN C=C(C)COc1cccc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000518485000 927301486 /nfs/dbraw/zinc/30/14/86/927301486.db2.gz PDSJALULMSYTBD-UHFFFAOYSA-N 0 3 408.546 4.207 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3ccc(Br)cc32)CC1 ZINC000520682807 928730651 /nfs/dbraw/zinc/73/06/51/928730651.db2.gz QKXQNRNCGKGNOS-UHFFFAOYSA-N 0 3 402.336 4.076 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000520682649 928730921 /nfs/dbraw/zinc/73/09/21/928730921.db2.gz GFWHNRHVCIOOJE-UHFFFAOYSA-N 0 3 401.601 4.098 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000520686998 928735936 /nfs/dbraw/zinc/73/59/36/928735936.db2.gz SSGNYWINMRGCPT-UHFFFAOYSA-N 0 3 404.436 4.224 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2cc(Br)ccc2F)CC1 ZINC000520693815 928740905 /nfs/dbraw/zinc/74/09/05/928740905.db2.gz WGWFLGCIWURGEC-UHFFFAOYSA-N 0 3 412.347 4.160 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000520969676 928895127 /nfs/dbraw/zinc/89/51/27/928895127.db2.gz ONIRZUZFUUKVEW-UHFFFAOYSA-N 0 3 405.527 4.277 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)N3CCN(CC4CCCCC4)CC3)s2)cc1 ZINC000521466016 929234390 /nfs/dbraw/zinc/23/43/90/929234390.db2.gz FODJQJBCBOBKHF-UHFFFAOYSA-N 0 3 423.586 4.335 20 30 HIEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000521594556 929317028 /nfs/dbraw/zinc/31/70/28/929317028.db2.gz JWTUFWIJGHUEBD-UTTDKNERSA-N 0 3 401.554 4.233 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000521701093 929375447 /nfs/dbraw/zinc/37/54/47/929375447.db2.gz WWXOGOLGUNUDSP-JOCHJYFZSA-N 0 3 422.529 4.129 20 30 HIEDHN COc1ccc(Br)cc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521862281 929513365 /nfs/dbraw/zinc/51/33/65/929513365.db2.gz YWDVGLHBQRATNZ-KRWDZBQOSA-N 0 3 418.310 4.227 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000525248520 930104326 /nfs/dbraw/zinc/10/43/26/930104326.db2.gz MALZSXHAMMAPIW-CABCVRRESA-N 0 3 405.420 4.413 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(C3CCC(C)CC3)CC2)ccc1Cl ZINC000531841398 931217383 /nfs/dbraw/zinc/21/73/83/931217383.db2.gz PWTCDIFQHXCUEN-UHFFFAOYSA-N 0 3 416.997 4.091 20 30 HIEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970309 931720485 /nfs/dbraw/zinc/72/04/85/931720485.db2.gz GRIDPWUTTIWQDK-XWOARTFESA-N 0 3 415.603 4.402 20 30 HIEDHN C[C@H]1CN([C@H](CNCc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989714 931728811 /nfs/dbraw/zinc/72/88/11/931728811.db2.gz UTLLMQBWYISJAQ-VBKZILBWSA-N 0 3 405.876 4.041 20 30 HIEDHN COC(=O)CCC1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533023287 931742568 /nfs/dbraw/zinc/74/25/68/931742568.db2.gz AYNSRCVSVIWZTK-UHFFFAOYSA-N 0 3 422.525 4.311 20 30 HIEDHN CN1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1ccccc1 ZINC000534018861 932201268 /nfs/dbraw/zinc/20/12/68/932201268.db2.gz IXKWDXZKXJEJDX-DQEYMECFSA-N 0 3 411.505 4.312 20 30 HIEDHN CC[C@@H](C)n1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C1CC1 ZINC000534252494 932366407 /nfs/dbraw/zinc/36/64/07/932366407.db2.gz URCWKYXJLFPZDJ-QGZVFWFLSA-N 0 3 408.550 4.199 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1ccccc1 ZINC000534754270 932731756 /nfs/dbraw/zinc/73/17/56/932731756.db2.gz DJKDIOGVYFPIGO-RPBOFIJWSA-N 0 3 411.505 4.312 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000535090227 932903506 /nfs/dbraw/zinc/90/35/06/932903506.db2.gz VJIYMXYSYKAPFZ-UHFFFAOYSA-N 0 3 418.928 4.478 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 ZINC000535262024 933041300 /nfs/dbraw/zinc/04/13/00/933041300.db2.gz MTSQZMMJSHSEKS-HXUWFJFHSA-N 0 3 417.484 4.392 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](c2ccccc2)C2CC2)c1C#N ZINC000537288400 933698817 /nfs/dbraw/zinc/69/88/17/933698817.db2.gz WXNJIQLJOWRWOO-QHCPKHFHSA-N 0 3 402.498 4.297 20 30 HIEDHN Cc1cc(NC(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)nn1CCC#N ZINC000537516328 938314836 /nfs/dbraw/zinc/31/48/36/938314836.db2.gz MCMTVDLNJCHHSQ-UHFFFAOYSA-N 0 3 420.561 4.158 20 30 HIEDHN N#CC(C(=O)c1cccnc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000537666659 938349897 /nfs/dbraw/zinc/34/98/97/938349897.db2.gz SIIQMCXGXYGVEE-LLVKDONJSA-N 0 3 410.302 4.258 20 30 HIEDHN CCOc1ccc([C@H](NCC(=O)NC2(C#N)CCCCC2)C(C)C)cc1OCC ZINC000538141944 938519287 /nfs/dbraw/zinc/51/92/87/938519287.db2.gz TYIXFFPFDLSOCB-JOCHJYFZSA-N 0 3 401.551 4.113 20 30 HIEDHN Cc1c(CNCc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccccc2)n1C ZINC000538610395 938661001 /nfs/dbraw/zinc/66/10/01/938661001.db2.gz UNOUATIHEDKWTF-UHFFFAOYSA-N 0 3 408.505 4.313 20 30 HIEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cccc(COCc4ccco4)c3)C2=O)cc1 ZINC000538706642 938687031 /nfs/dbraw/zinc/68/70/31/938687031.db2.gz IMGOEZOEKGHOCW-XMMPIXPASA-N 0 3 415.493 4.153 20 30 HIEDHN COc1cc(N[C@@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000538753050 938702621 /nfs/dbraw/zinc/70/26/21/938702621.db2.gz ILGAEMNHCUKGGP-HXUWFJFHSA-N 0 3 409.530 4.463 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000539260748 938828825 /nfs/dbraw/zinc/82/88/25/938828825.db2.gz GYQYWKIHXGCIAR-HSZRJFAPSA-N 0 3 410.562 4.247 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000539260752 938828883 /nfs/dbraw/zinc/82/88/83/938828883.db2.gz GYQYWKIHXGCIAR-QHCPKHFHSA-N 0 3 410.562 4.247 20 30 HIEDHN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539678914 938899262 /nfs/dbraw/zinc/89/92/62/938899262.db2.gz DMYGXMRWNHPPLI-XMMPIXPASA-N 0 3 419.569 4.065 20 30 HIEDHN N#Cc1ccc(CNC(=O)CN[C@@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC000540376166 939216298 /nfs/dbraw/zinc/21/62/98/939216298.db2.gz CZLKONBLHVPICI-OAQYLSRUSA-N 0 3 412.331 4.068 20 30 HIEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522210 939286604 /nfs/dbraw/zinc/28/66/04/939286604.db2.gz QIDIKNFHQGTSAN-KZULUSFZSA-N 0 3 401.860 4.408 20 30 HIEDHN COc1ccccc1[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000540609241 939318543 /nfs/dbraw/zinc/31/85/43/939318543.db2.gz ZAJZEZHYHOEIAD-SANMLTNESA-N 0 3 412.537 4.305 20 30 HIEDHN CCOC(=O)COc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000540810710 939380218 /nfs/dbraw/zinc/38/02/18/939380218.db2.gz ZKZFVAQWXOWHLI-UHFFFAOYSA-N 0 3 400.478 4.457 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541692415 939606345 /nfs/dbraw/zinc/60/63/45/939606345.db2.gz YOSBBFGAEGOGQA-DCZWBIAUSA-N 0 3 409.555 4.420 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2)cc1 ZINC000543759476 940176515 /nfs/dbraw/zinc/17/65/15/940176515.db2.gz BMWNQRHZEYTCHL-QFIPXVFZSA-N 0 3 409.505 4.332 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(CN4CCCCC4=O)c3)CC2)cc1 ZINC000543759384 940176767 /nfs/dbraw/zinc/17/67/67/940176767.db2.gz XXRXRMDRCKIOMD-UHFFFAOYSA-N 0 3 402.542 4.147 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543861594 940214127 /nfs/dbraw/zinc/21/41/27/940214127.db2.gz SIPKSTLEJMHIAF-SJORKVTESA-N 0 3 412.493 4.002 20 30 HIEDHN N#CC(C(=O)c1ccccc1OCc1ccccc1Br)c1ccncn1 ZINC000545446603 940570304 /nfs/dbraw/zinc/57/03/04/940570304.db2.gz OXUPEUQWXYXRAP-INIZCTEOSA-N 0 3 408.255 4.308 20 30 HIEDHN CC(C)N1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549341562 941181321 /nfs/dbraw/zinc/18/13/21/941181321.db2.gz VJAZLAXXEFWMSX-UNMCSNQZSA-N 0 3 414.912 4.103 20 30 HIEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000549634702 941202293 /nfs/dbraw/zinc/20/22/93/941202293.db2.gz VXCXSKUTEJITHV-ILWGZMRPSA-N 0 3 409.578 4.053 20 30 HIEDHN CCc1sc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Br ZINC000549813356 941208286 /nfs/dbraw/zinc/20/82/86/941208286.db2.gz WWDNYUOGPHKBKF-UHFFFAOYSA-N 0 3 420.376 4.149 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445341 942145710 /nfs/dbraw/zinc/14/57/10/942145710.db2.gz IKYWDEKNYKUHMV-PGRDOPGGSA-N 0 3 402.498 4.325 20 30 HIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878554 942947535 /nfs/dbraw/zinc/94/75/35/942947535.db2.gz YSYINKGYCOWVKO-JBRSBNLGSA-N 0 3 419.569 4.491 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000558604890 943615702 /nfs/dbraw/zinc/61/57/02/943615702.db2.gz ZXZGZXUXMUIPND-XMMPIXPASA-N 0 3 407.558 4.319 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000558604889 943615732 /nfs/dbraw/zinc/61/57/32/943615732.db2.gz ZXZGZXUXMUIPND-DEOSSOPVSA-N 0 3 407.558 4.319 20 30 HIEDHN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000558805405 943670721 /nfs/dbraw/zinc/67/07/21/943670721.db2.gz FRUWJTXIBFJIIT-LJQANCHMSA-N 0 3 405.542 4.091 20 30 HIEDHN C[C@H](c1ccccc1F)N1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000559323490 943896318 /nfs/dbraw/zinc/89/63/18/943896318.db2.gz JWXGHALFZRIEED-JPYJTQIMSA-N 0 3 409.505 4.350 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000559367053 943912406 /nfs/dbraw/zinc/91/24/06/943912406.db2.gz ABEXLDBAAWSVMK-UHFFFAOYSA-N 0 3 418.566 4.256 20 30 HIEDHN Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000560601549 944270418 /nfs/dbraw/zinc/27/04/18/944270418.db2.gz RUSOHNKYFQYOIR-LJQANCHMSA-N 0 3 419.916 4.416 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000564395088 945552430 /nfs/dbraw/zinc/55/24/30/945552430.db2.gz IOYPUNJLFHSYPE-LADGPHEKSA-N 0 3 424.976 4.239 20 30 HIEDHN C[C@H]1CN(Cc2ccc(CNCc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000564416080 945568877 /nfs/dbraw/zinc/56/88/77/945568877.db2.gz XFLWSTNJXZWRTP-IRXDYDNUSA-N 0 3 417.475 4.476 20 30 HIEDHN Cc1cc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1C#N ZINC000569392610 946865378 /nfs/dbraw/zinc/86/53/78/946865378.db2.gz SAWSMZZIYGWWBX-UHFFFAOYSA-N 0 3 404.432 4.335 20 30 HIEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000572318550 947882766 /nfs/dbraw/zinc/88/27/66/947882766.db2.gz NPKQHNNSTHXRPE-HXUWFJFHSA-N 0 3 400.544 4.015 20 30 HIEDHN C=CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000573617319 948251422 /nfs/dbraw/zinc/25/14/22/948251422.db2.gz YHPDEPSYFMVJPP-OAHLLOKOSA-N 0 3 412.419 4.302 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627787 719079379 /nfs/dbraw/zinc/07/93/79/719079379.db2.gz QRDBBRAFOLNEFY-VQIMIIECSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164628525 719080487 /nfs/dbraw/zinc/08/04/87/719080487.db2.gz SGSKYSGJJFCYMS-APWZRJJASA-N 0 3 402.876 4.252 20 30 HIEDHN N#CC1(c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2)CCC1 ZINC001164908547 721704051 /nfs/dbraw/zinc/70/40/51/721704051.db2.gz XVQJXBNIIWWJKF-HSZRJFAPSA-N 0 3 423.511 4.160 20 30 HIEDHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000047359198 849031605 /nfs/dbraw/zinc/03/16/05/849031605.db2.gz IPPBPLYLCCKTIX-KRWDZBQOSA-N 0 3 406.449 4.485 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000049795836 849329647 /nfs/dbraw/zinc/32/96/47/849329647.db2.gz RMHASWFMDTVOHE-MRXNPFEDSA-N 0 3 418.463 4.411 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057130660 850558069 /nfs/dbraw/zinc/55/80/69/850558069.db2.gz OKGRLJFRFNCUKO-FQEVSTJZSA-N 0 3 418.463 4.325 20 30 HIEDHN COc1ccc2cc([C@H](C)C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000059876622 851019579 /nfs/dbraw/zinc/01/95/79/851019579.db2.gz HBAZPLQMVORBMB-IBGZPJMESA-N 0 3 415.537 4.414 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1C#N ZINC000061503032 851391413 /nfs/dbraw/zinc/39/14/13/851391413.db2.gz CZFCEVHKDDWUSJ-JOCHJYFZSA-N 0 3 420.582 4.428 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C)c2)CC1 ZINC000063777165 851760778 /nfs/dbraw/zinc/76/07/78/851760778.db2.gz FMOBJNRJJBVDII-UHFFFAOYSA-N 0 3 419.573 4.451 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065696558 852222711 /nfs/dbraw/zinc/22/27/11/852222711.db2.gz QQCGVQHXNDOKDE-HXUWFJFHSA-N 0 3 418.463 4.459 20 30 HIEDHN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930404 852320870 /nfs/dbraw/zinc/32/08/70/852320870.db2.gz APUNYRZLMPMTGT-OAHLLOKOSA-N 0 3 420.340 4.223 20 30 HIEDHN CCCN(Cc1cn2ccccc2c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110287957 853083493 /nfs/dbraw/zinc/08/34/93/853083493.db2.gz UCBKUPFBQNNUSF-UHFFFAOYSA-N 0 3 400.526 4.328 20 30 HIEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000140367780 853442262 /nfs/dbraw/zinc/44/22/62/853442262.db2.gz HOUORHPQYPVSSJ-LBPRGKRZSA-N 0 3 417.227 4.279 20 30 HIEDHN C=C(C)COc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC ZINC000142946548 853503958 /nfs/dbraw/zinc/50/39/58/853503958.db2.gz PMTKRIIIHNJRQQ-UHFFFAOYSA-N 0 3 414.521 4.040 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CNCCCS(=O)(=O)c2ccccc2)c1 ZINC000238015913 854133493 /nfs/dbraw/zinc/13/34/93/854133493.db2.gz UWZHTPRVJVWXER-UHFFFAOYSA-N 0 3 420.534 4.091 20 30 HIEDHN COc1ccccc1[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CCCC1 ZINC000301542554 854416970 /nfs/dbraw/zinc/41/69/70/854416970.db2.gz SMYBYMATFYTBSH-OAQYLSRUSA-N 0 3 417.469 4.272 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)CC1 ZINC000303266275 854841915 /nfs/dbraw/zinc/84/19/15/854841915.db2.gz ITHTZRWBBNVEAW-UHFFFAOYSA-N 0 3 418.516 4.367 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000303295915 854858366 /nfs/dbraw/zinc/85/83/66/854858366.db2.gz PBLPXJBNTZJSLI-UHFFFAOYSA-N 0 3 415.877 4.421 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CCS[C@@H](C)[C@H]2c2ccccc2)c(OC)c1 ZINC000303740039 855165121 /nfs/dbraw/zinc/16/51/21/855165121.db2.gz YUECUFZMDKJVCH-VNZMSGEBSA-N 0 3 413.583 4.342 20 30 HIEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000410375484 855959799 /nfs/dbraw/zinc/95/97/99/855959799.db2.gz YACJGOGHJJGXAH-UHFFFAOYSA-N 0 3 421.541 4.092 20 30 HIEDHN C[C@@H]1CN(CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000426394650 856272982 /nfs/dbraw/zinc/27/29/82/856272982.db2.gz KAQAMASZPDYPGF-IYBDPMFKSA-N 0 3 414.500 4.100 20 30 HIEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 ZINC000430187704 858073272 /nfs/dbraw/zinc/07/32/72/858073272.db2.gz RKYSVDJTDFISHM-DEOSSOPVSA-N 0 3 404.558 4.442 20 30 HIEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 ZINC000430187705 858073481 /nfs/dbraw/zinc/07/34/81/858073481.db2.gz RKYSVDJTDFISHM-XMMPIXPASA-N 0 3 404.558 4.442 20 30 HIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000431735457 858773373 /nfs/dbraw/zinc/77/33/73/858773373.db2.gz JDKOHBHNXRGEAN-HXOBKFHXSA-N 0 3 408.521 4.094 20 30 HIEDHN N#CCCC[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901800 858862775 /nfs/dbraw/zinc/86/27/75/858862775.db2.gz YHCVPIMGJQONIS-DNQXCXABSA-N 0 3 420.557 4.012 20 30 HIEDHN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433011233 859477431 /nfs/dbraw/zinc/47/74/31/859477431.db2.gz NKOGPVBYZYCRCA-FQEVSTJZSA-N 0 3 402.502 4.052 20 30 HIEDHN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2Cl)c1 ZINC000437963520 863334801 /nfs/dbraw/zinc/33/48/01/863334801.db2.gz OUAWUANICCRPCL-FQEVSTJZSA-N 0 3 422.916 4.269 20 30 HIEDHN COc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N2CCCC2)cc1 ZINC000438850249 864345293 /nfs/dbraw/zinc/34/52/93/864345293.db2.gz USTHHLQQCAAKGJ-XZOQPEGZSA-N 0 3 406.530 4.176 20 30 HIEDHN Cc1nc(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)cs1 ZINC000440756472 865891776 /nfs/dbraw/zinc/89/17/76/865891776.db2.gz GEXWTRCHNLUDIO-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN CS(=O)(=O)c1cccc([C@H](NCC2CCC(C#N)CC2)c2ccc(F)c(F)c2)c1 ZINC000442848648 867696640 /nfs/dbraw/zinc/69/66/40/867696640.db2.gz AVBKZLFFMLNKTF-LGHDPPOTSA-N 0 3 418.509 4.377 20 30 HIEDHN C=CCOc1ccc(CNC2(c3ccc(OC)c(F)c3)CCOCC2)cc1OC ZINC000444011707 868535199 /nfs/dbraw/zinc/53/51/99/868535199.db2.gz JLDQGHQOODZXFL-UHFFFAOYSA-N 0 3 401.478 4.203 20 30 HIEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000444039406 868575896 /nfs/dbraw/zinc/57/58/96/868575896.db2.gz STXWWQZYVHMVFY-UHFFFAOYSA-N 0 3 408.546 4.383 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468334562 882266839 /nfs/dbraw/zinc/26/68/39/882266839.db2.gz SUNXVFMVMKAZJZ-HNNXBMFYSA-N 0 3 414.377 4.443 20 30 HIEDHN N#Cc1ccc(Oc2ccc(N3C(=O)NC(CC(F)(F)F)C3=O)cc2Cl)cc1 ZINC000445982467 869946161 /nfs/dbraw/zinc/94/61/61/869946161.db2.gz NGQBEVBJFOAUKT-CQSZACIVSA-N 0 3 409.751 4.381 20 30 HIEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460367219 873000195 /nfs/dbraw/zinc/00/01/95/873000195.db2.gz ASWOFQJXTGOCHQ-YUVXSKOASA-N 0 3 409.578 4.018 20 30 HIEDHN C=CCOc1ccccc1CNCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000462728174 875804328 /nfs/dbraw/zinc/80/43/28/875804328.db2.gz YPZNTUJECXMVMB-UHFFFAOYSA-N 0 3 419.491 4.312 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000463329867 876385951 /nfs/dbraw/zinc/38/59/51/876385951.db2.gz PHYGWXVHJAMYTL-RUCARUNLSA-N 0 3 406.368 4.035 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC1 ZINC000464363029 877561048 /nfs/dbraw/zinc/56/10/48/877561048.db2.gz DRMKTKPVHPMIOT-SFHVURJKSA-N 0 3 414.550 4.276 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)CC1 ZINC000503310696 912291165 /nfs/dbraw/zinc/29/11/65/912291165.db2.gz LSRJOGUULOHCHT-UHFFFAOYSA-N 0 3 403.523 4.037 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000465427441 878858323 /nfs/dbraw/zinc/85/83/23/878858323.db2.gz CPLOBRGWMBOAIJ-NJYVYQBISA-N 0 3 408.571 4.366 20 30 HIEDHN Cc1cc(N2CCCC2)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503456720 912482538 /nfs/dbraw/zinc/48/25/38/912482538.db2.gz WTAKBKQAXCAGNF-UHFFFAOYSA-N 0 3 405.546 4.063 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC2(CCCCC2)O1 ZINC000466412030 880180781 /nfs/dbraw/zinc/18/07/81/880180781.db2.gz JWWMEFLELQGRTA-IBGZPJMESA-N 0 3 404.624 4.467 20 30 HIEDHN Cn1cccc(C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1=O ZINC000503521378 912571006 /nfs/dbraw/zinc/57/10/06/912571006.db2.gz NVUJUSKPHYATDA-ZDUSSCGKSA-N 0 3 404.278 4.306 20 30 HIEDHN C=CCCN(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000467298350 881044772 /nfs/dbraw/zinc/04/47/72/881044772.db2.gz UTGVPDWDUBYRIT-FQEVSTJZSA-N 0 3 416.447 4.295 20 30 HIEDHN C=CCCN(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000467298350 881044796 /nfs/dbraw/zinc/04/47/96/881044796.db2.gz UTGVPDWDUBYRIT-FQEVSTJZSA-N 0 3 416.447 4.295 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000469313685 883414507 /nfs/dbraw/zinc/41/45/07/883414507.db2.gz ZZDGDPVJXDJKGM-HSZRJFAPSA-N 0 3 404.558 4.121 20 30 HIEDHN N#Cc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000469930075 884123029 /nfs/dbraw/zinc/12/30/29/884123029.db2.gz VGBOLAFWFLJTFO-UHFFFAOYSA-N 0 3 400.832 4.138 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173889 887950457 /nfs/dbraw/zinc/95/04/57/887950457.db2.gz WWXPJIWEAWWAGZ-UPCLLVRISA-N 0 3 421.566 4.205 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000504400128 913220951 /nfs/dbraw/zinc/22/09/51/913220951.db2.gz WQCIZNDLKDBSSE-UHFFFAOYSA-N 0 3 422.863 4.409 20 30 HIEDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cccc1C(F)(F)F ZINC000473811291 888636289 /nfs/dbraw/zinc/63/62/89/888636289.db2.gz XQRKKHDYLZGFGE-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)c4ccccc4)cn3)CC2)cc1 ZINC000475553963 890479850 /nfs/dbraw/zinc/47/98/50/890479850.db2.gz QBJSTJAPPRMGHD-UHFFFAOYSA-N 0 3 411.509 4.282 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000475614158 890543240 /nfs/dbraw/zinc/54/32/40/890543240.db2.gz VBORARGWFCZMQW-UHFFFAOYSA-N 0 3 422.529 4.361 20 30 HIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)N(C)C)cc1 ZINC000478120713 893292430 /nfs/dbraw/zinc/29/24/30/893292430.db2.gz OTCSRSSKAWKBQV-HXUWFJFHSA-N 0 3 400.910 4.423 20 30 HIEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000480348582 895754089 /nfs/dbraw/zinc/75/40/89/895754089.db2.gz NKENPVBIFYCLKQ-YCRPNKLZSA-N 0 3 422.920 4.210 20 30 HIEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000505437615 914102091 /nfs/dbraw/zinc/10/20/91/914102091.db2.gz DXJCCHDNZVFZGB-LBPRGKRZSA-N 0 3 413.405 4.105 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3nc4c(s3)CCCC4)n2)cc1 ZINC000505449160 914117440 /nfs/dbraw/zinc/11/74/40/914117440.db2.gz KYGRWWCPUAORQD-AWEZNQCLSA-N 0 3 410.524 4.400 20 30 HIEDHN Cc1cc(NC(=O)c2cccc(SCC#N)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481647107 897033272 /nfs/dbraw/zinc/03/32/72/897033272.db2.gz ZSRDSNFOOKZWGE-UHFFFAOYSA-N 0 3 408.571 4.393 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481654917 897040121 /nfs/dbraw/zinc/04/01/21/897040121.db2.gz CCWDULQSXZKJDO-QHCPKHFHSA-N 0 3 411.571 4.146 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000481680531 897064584 /nfs/dbraw/zinc/06/45/84/897064584.db2.gz ZLFCWOLUJHDAST-DEOSSOPVSA-N 0 3 423.582 4.041 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481764584 897152056 /nfs/dbraw/zinc/15/20/56/897152056.db2.gz YFBJUGUXGUWZNH-NHCUHLMSSA-N 0 3 400.567 4.214 20 30 HIEDHN COc1ccc(-c2ccncc2)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000481911836 897294805 /nfs/dbraw/zinc/29/48/05/897294805.db2.gz SKZKXMUVRRIGNU-UHFFFAOYSA-N 0 3 412.537 4.337 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000482356721 897871979 /nfs/dbraw/zinc/87/19/79/897871979.db2.gz WCXIBBIBJHQHDD-OAHLLOKOSA-N 0 3 409.374 4.258 20 30 HIEDHN COc1ccc([C@H](CCO)NCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000482571159 898167365 /nfs/dbraw/zinc/16/73/65/898167365.db2.gz GRDDVRYXUIRNMQ-VWLOTQADSA-N 0 3 402.494 4.359 20 30 HIEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1NC(=O)NC(C)(C)C ZINC000483193910 898851153 /nfs/dbraw/zinc/85/11/53/898851153.db2.gz GRTQZUMDXKPRGK-INIZCTEOSA-N 0 3 401.470 4.348 20 30 HIEDHN COc1cc(Cl)c(Cl)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000485017897 900365953 /nfs/dbraw/zinc/36/59/53/900365953.db2.gz ONSYDGRPFKSDOJ-UHFFFAOYSA-N 0 3 421.328 4.469 20 30 HIEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000486024480 901230474 /nfs/dbraw/zinc/23/04/74/901230474.db2.gz VZJSCJOSXYQEKM-KKSFZXQISA-N 0 3 423.467 4.232 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000486069471 901262026 /nfs/dbraw/zinc/26/20/26/901262026.db2.gz BPIAALILPZZXRZ-FQEVSTJZSA-N 0 3 403.448 4.185 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486982149 902002707 /nfs/dbraw/zinc/00/27/07/902002707.db2.gz AKEJFZLDKDFKLI-UHFFFAOYSA-N 0 3 404.514 4.137 20 30 HIEDHN COc1ccc(CN2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc1 ZINC000488243193 902718392 /nfs/dbraw/zinc/71/83/92/902718392.db2.gz WAVMSWSPDRPCFG-UHFFFAOYSA-N 0 3 408.452 4.106 20 30 HIEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Cl)cc1 ZINC000488710542 902960584 /nfs/dbraw/zinc/96/05/84/902960584.db2.gz FLIAKUSEAKBFDB-GOSISDBHSA-N 0 3 417.962 4.458 20 30 HIEDHN C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000489015857 903122073 /nfs/dbraw/zinc/12/20/73/903122073.db2.gz PZQCVCUWNSEZBZ-XZOQPEGZSA-N 0 3 405.542 4.151 20 30 HIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866792 903637841 /nfs/dbraw/zinc/63/78/41/903637841.db2.gz SJAMSVIJTNSDNF-PBHICJAKSA-N 0 3 413.319 4.127 20 30 HIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000490734945 904199638 /nfs/dbraw/zinc/19/96/38/904199638.db2.gz UQIORCOPSVHJLL-LBPRGKRZSA-N 0 3 421.400 4.327 20 30 HIEDHN Cn1cc(CN2CCC(OCCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110921 904433756 /nfs/dbraw/zinc/43/37/56/904433756.db2.gz LWJWOJSWSJNNEE-UHFFFAOYSA-N 0 3 400.526 4.182 20 30 HIEDHN C=CC[C@@H](C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000495026021 906185024 /nfs/dbraw/zinc/18/50/24/906185024.db2.gz PIKFSUQUVJNDOB-RUZDIDTESA-N 0 3 405.586 4.373 20 30 HIEDHN C[C@@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625067 921267039 /nfs/dbraw/zinc/26/70/39/921267039.db2.gz LMFLGNQZWIUWIR-VFNWGFHPSA-N 0 3 421.438 4.440 20 30 HIEDHN C=C(C)CN(C)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000497097399 906805268 /nfs/dbraw/zinc/80/52/68/906805268.db2.gz LVKDPONYLFIXSZ-UHFFFAOYSA-N 0 3 418.921 4.383 20 30 HIEDHN C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CCN(C)CC1 ZINC000512851421 921356631 /nfs/dbraw/zinc/35/66/31/921356631.db2.gz JFMPVFOHQYAPMH-INIZCTEOSA-N 0 3 408.477 4.048 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000498381101 907869695 /nfs/dbraw/zinc/86/96/95/907869695.db2.gz VOOQVORYNKRHNQ-UHFFFAOYSA-N 0 3 404.341 4.388 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000498389103 907874663 /nfs/dbraw/zinc/87/46/63/907874663.db2.gz GEMAOSKPBUFFKL-UHFFFAOYSA-N 0 3 421.488 4.260 20 30 HIEDHN N#Cc1cccnc1OC1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000500400183 909836353 /nfs/dbraw/zinc/83/63/53/909836353.db2.gz GRHPWLFYKOVCQR-UHFFFAOYSA-N 0 3 422.273 4.474 20 30 HIEDHN C=CCOc1ccccc1CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000501765079 910820458 /nfs/dbraw/zinc/82/04/58/910820458.db2.gz AHJWPPNUHJFGIT-FQEVSTJZSA-N 0 3 408.546 4.483 20 30 HIEDHN CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501949446 910936644 /nfs/dbraw/zinc/93/66/44/910936644.db2.gz RLTSVKVGMLJSAV-AUSIDOKSSA-N 0 3 407.583 4.475 20 30 HIEDHN COc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077362 912048675 /nfs/dbraw/zinc/04/86/75/912048675.db2.gz UEIOKOFSQKOVHZ-XXBNENTESA-N 0 3 416.525 4.425 20 30 HIEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000506598838 915246694 /nfs/dbraw/zinc/24/66/94/915246694.db2.gz DPXUBDLIKFCZMU-ACJLOTCBSA-N 0 3 401.894 4.297 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000506672654 915347978 /nfs/dbraw/zinc/34/79/78/915347978.db2.gz FFRZQFKHFTUROR-MRXNPFEDSA-N 0 3 414.575 4.138 20 30 HIEDHN CCOc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000507140288 915885808 /nfs/dbraw/zinc/88/58/08/915885808.db2.gz BZSVVHSIYPGVPH-IBGZPJMESA-N 0 3 423.557 4.223 20 30 HIEDHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420074 916188943 /nfs/dbraw/zinc/18/89/43/916188943.db2.gz IBUSSNILFQULMX-OXQOHEQNSA-N 0 3 424.932 4.022 20 30 HIEDHN CN(C)Cc1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000507995476 916836876 /nfs/dbraw/zinc/83/68/76/916836876.db2.gz SMWCHJAVIKRVGZ-UHFFFAOYSA-N 0 3 405.477 4.193 20 30 HIEDHN COc1ccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)N2CCCC2)cc1 ZINC000508058769 916883323 /nfs/dbraw/zinc/88/33/23/916883323.db2.gz AQWIMSBSOAJELW-FQEVSTJZSA-N 0 3 409.534 4.082 20 30 HIEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000508863180 917616857 /nfs/dbraw/zinc/61/68/57/917616857.db2.gz IWGUKZVILCALFY-JOCHJYFZSA-N 0 3 402.546 4.017 20 30 HIEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000510455173 918910362 /nfs/dbraw/zinc/91/03/62/918910362.db2.gz KMKWIKBFKMTQAR-UHFFFAOYSA-N 0 3 415.335 4.111 20 30 HIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645249 919086227 /nfs/dbraw/zinc/08/62/27/919086227.db2.gz HFXMNXQMNVYOMY-RTWAWAEBSA-N 0 3 418.541 4.108 20 30 HIEDHN N#CCCn1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000512354588 921100637 /nfs/dbraw/zinc/10/06/37/921100637.db2.gz GQAQYLQVEQXDKQ-UHFFFAOYSA-N 0 3 419.573 4.125 20 30 HIEDHN CC(C)CN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CCN(C)CC1 ZINC000513721546 922040984 /nfs/dbraw/zinc/04/09/84/922040984.db2.gz XXYKUROZXYAUJC-UHFFFAOYSA-N 0 3 405.542 4.330 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)N(C)C)cc1 ZINC000513736354 922057922 /nfs/dbraw/zinc/05/79/22/922057922.db2.gz ZNUGCPLGDUKPEW-DEOSSOPVSA-N 0 3 413.521 4.478 20 30 HIEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000515769018 923337866 /nfs/dbraw/zinc/33/78/66/923337866.db2.gz RGTWQVFIHKMPPP-UHFFFAOYSA-N 0 3 422.573 4.366 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000517317311 924099223 /nfs/dbraw/zinc/09/92/23/924099223.db2.gz DYDMWODKUIGIDU-SFHVURJKSA-N 0 3 415.578 4.417 20 30 HIEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000517360541 924131719 /nfs/dbraw/zinc/13/17/19/924131719.db2.gz HWTIATIKSXJPBW-FQEVSTJZSA-N 0 3 415.468 4.494 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)CC1 ZINC000518123707 927032480 /nfs/dbraw/zinc/03/24/80/927032480.db2.gz QHOFFXXTYDHMLD-UHFFFAOYSA-N 0 3 408.571 4.475 20 30 HIEDHN C=CCN(Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255404 927112393 /nfs/dbraw/zinc/11/23/93/927112393.db2.gz BQLQSCZCLOUBOW-HNNXBMFYSA-N 0 3 403.408 4.310 20 30 HIEDHN N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2)nc1 ZINC000518389747 927236212 /nfs/dbraw/zinc/23/62/12/927236212.db2.gz CAJITMBOYOIAPT-QHCPKHFHSA-N 0 3 412.493 4.312 20 30 HIEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000519779331 928072239 /nfs/dbraw/zinc/07/22/39/928072239.db2.gz PKBGWUFFQDNRES-SFHVURJKSA-N 0 3 420.347 4.058 20 30 HIEDHN C=CCOc1c(Br)cc(CN(C)C[C@H](O)Cc2ccccc2)cc1OC ZINC000519779307 928072545 /nfs/dbraw/zinc/07/25/45/928072545.db2.gz PKBGWUFFQDNRES-GOSISDBHSA-N 0 3 420.347 4.058 20 30 HIEDHN C=CCCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)NC2(C)C ZINC000520000750 928227062 /nfs/dbraw/zinc/22/70/62/928227062.db2.gz HEAXSCANTQPVSR-CYBMUJFWSA-N 0 3 408.564 4.004 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000520710475 928760158 /nfs/dbraw/zinc/76/01/58/928760158.db2.gz VCSSYZJGTOIEJS-SFHVURJKSA-N 0 3 411.521 4.415 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000525244374 930103012 /nfs/dbraw/zinc/10/30/12/930103012.db2.gz PBQLGKVFKBUGCC-RBUKOAKNSA-N 0 3 409.530 4.468 20 30 HIEDHN C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952192 930493093 /nfs/dbraw/zinc/49/30/93/930493093.db2.gz NWZPCQPAQNBJMV-AEFFLSMTSA-N 0 3 424.595 4.022 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000533054910 931755699 /nfs/dbraw/zinc/75/56/99/931755699.db2.gz CGTRNZXNNDWRLS-QHCPKHFHSA-N 0 3 408.546 4.083 20 30 HIEDHN COc1ccc([C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287825 933698560 /nfs/dbraw/zinc/69/85/60/933698560.db2.gz QBSLKRDBALPRNI-HXOBKFHXSA-N 0 3 407.514 4.080 20 30 HIEDHN C=CCOc1c(Br)cc(CN2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000537648833 938346881 /nfs/dbraw/zinc/34/68/81/938346881.db2.gz VSXVXFUAOORTPR-KRWDZBQOSA-N 0 3 410.352 4.271 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000538390944 938609377 /nfs/dbraw/zinc/60/93/77/938609377.db2.gz HAVPGDPBHZZBOU-RUZDIDTESA-N 0 3 419.525 4.062 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259169 938828521 /nfs/dbraw/zinc/82/85/21/938828521.db2.gz ONRRMICPLQHUQM-SFTDATJTSA-N 0 3 415.541 4.475 20 30 HIEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@H](C)c2ccccc2)cc1 ZINC000539302000 938837009 /nfs/dbraw/zinc/83/70/09/938837009.db2.gz WBITXEAXHWSZMM-KRWDZBQOSA-N 0 3 402.498 4.264 20 30 HIEDHN CCCC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000539301981 938837042 /nfs/dbraw/zinc/83/70/42/938837042.db2.gz VLOCLWXNEARARG-JOCHJYFZSA-N 0 3 417.513 4.212 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1C ZINC000539333899 938843466 /nfs/dbraw/zinc/84/34/66/938843466.db2.gz JKMCIGYVKKTRLR-FYYLOGMGSA-N 0 3 405.542 4.308 20 30 HIEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490682 938867677 /nfs/dbraw/zinc/86/76/77/938867677.db2.gz HNOKUZGXRRYMEZ-LRTDBIEQSA-N 0 3 411.889 4.051 20 30 HIEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000540362955 939210968 /nfs/dbraw/zinc/21/09/68/939210968.db2.gz PUIVGXOMUFAJPS-QFIPXVFZSA-N 0 3 401.514 4.368 20 30 HIEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522211 939286959 /nfs/dbraw/zinc/28/69/59/939286959.db2.gz QIDIKNFHQGTSAN-SGTLLEGYSA-N 0 3 401.860 4.408 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024836 939433307 /nfs/dbraw/zinc/43/33/07/939433307.db2.gz SFCSCGOQFKZTOW-QZTJIDSGSA-N 0 3 408.571 4.496 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000542105718 939715799 /nfs/dbraw/zinc/71/57/99/939715799.db2.gz CQIBBJXZKLHOFY-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809962 940193451 /nfs/dbraw/zinc/19/34/51/940193451.db2.gz SZKTYOOEDSOLEX-CABCVRRESA-N 0 3 419.554 4.280 20 30 HIEDHN CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544850461 940519109 /nfs/dbraw/zinc/51/91/09/940519109.db2.gz BZYKADIIARCORC-QHCPKHFHSA-N 0 3 405.542 4.230 20 30 HIEDHN CCOc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ncccc12 ZINC000547354876 941057897 /nfs/dbraw/zinc/05/78/97/941057897.db2.gz JZBLXBOZWXNBGY-UHFFFAOYSA-N 0 3 417.513 4.101 20 30 HIEDHN Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000548617419 941115482 /nfs/dbraw/zinc/11/54/82/941115482.db2.gz ZIJYPEPIJDJUKK-HXUWFJFHSA-N 0 3 419.916 4.416 20 30 HIEDHN CC(C)N1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549341560 941181368 /nfs/dbraw/zinc/18/13/68/941181368.db2.gz VJAZLAXXEFWMSX-IRLDBZIGSA-N 0 3 414.912 4.103 20 30 HIEDHN C=CCn1cccc1C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000557448908 943132911 /nfs/dbraw/zinc/13/29/11/943132911.db2.gz PLSJMIBEBKHTNJ-DEOSSOPVSA-N 0 3 414.553 4.376 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557660462 943250724 /nfs/dbraw/zinc/25/07/24/943250724.db2.gz LUHSVZKVNQZDGM-UHFFFAOYSA-N 0 3 421.472 4.189 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000557845636 943310843 /nfs/dbraw/zinc/31/08/43/943310843.db2.gz LWIFHCCYAHWWJK-NRFANRHFSA-N 0 3 405.970 4.147 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(Br)cc2OCC)CC1 ZINC000558515416 943583986 /nfs/dbraw/zinc/58/39/86/943583986.db2.gz OPPJLLRPXJQYAK-UHFFFAOYSA-N 0 3 414.319 4.149 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)c4ccccc4C3)sc2C1 ZINC000559976857 944107195 /nfs/dbraw/zinc/10/71/95/944107195.db2.gz QROUKDZRHZJNEP-INIZCTEOSA-N 0 3 408.571 4.025 20 30 HIEDHN C=CCOc1c(Br)cc(CNCc2ccc3cnn(C)c3c2)cc1OC ZINC000562281522 945053026 /nfs/dbraw/zinc/05/30/26/945053026.db2.gz RRVQFGCMQSGNLU-UHFFFAOYSA-N 0 3 416.319 4.199 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H]2c3ccccc3CC23CCOCC3)c1C ZINC000571604721 947727084 /nfs/dbraw/zinc/72/70/84/947727084.db2.gz JFWJQWZVTVJBQB-VWLOTQADSA-N 0 3 417.553 4.234 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000573140640 948086295 /nfs/dbraw/zinc/08/62/95/948086295.db2.gz YRCLJOLKXYNVRB-NRFANRHFSA-N 0 3 404.432 4.417 20 30 HIEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164626627 719071420 /nfs/dbraw/zinc/07/14/20/719071420.db2.gz OVIVXCRGUNDGSM-QFBILLFUSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001164629906 719080384 /nfs/dbraw/zinc/08/03/84/719080384.db2.gz ZVNQEGFZFGKJBN-ZWKOTPCHSA-N 0 3 402.876 4.252 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309482 861613708 /nfs/dbraw/zinc/61/37/08/861613708.db2.gz SIEILYDSGKORBB-QIJUGHKUSA-N 0 3 419.974 4.404 20 30 HIEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855840 845986289 /nfs/dbraw/zinc/98/62/89/845986289.db2.gz ZDRQZTNVCNNTOC-QGZVFWFLSA-N 0 3 405.523 4.066 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000436332665 861637967 /nfs/dbraw/zinc/63/79/67/861637967.db2.gz PLLQEKCDZCJDJX-QPTUXGOLSA-N 0 3 405.517 4.336 20 30 HIEDHN Cc1ccc([C@@H](OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000027208197 847266234 /nfs/dbraw/zinc/26/62/34/847266234.db2.gz RJDCVFAVPSKWOV-UIOOFZCWSA-N 0 3 400.522 4.466 20 30 HIEDHN N#Cc1ccc(CN2CCCN(CCOc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028154761 847389700 /nfs/dbraw/zinc/38/97/00/847389700.db2.gz SOVHNSKXXKGESD-UHFFFAOYSA-N 0 3 404.341 4.452 20 30 HIEDHN Cc1nc(-c2ccccc2)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011103 848972362 /nfs/dbraw/zinc/97/23/62/848972362.db2.gz ICCFRSUNMUSAPF-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000052045860 849544973 /nfs/dbraw/zinc/54/49/73/849544973.db2.gz JZSBKPAFFRMBJS-IBGZPJMESA-N 0 3 404.432 4.176 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000062379304 851535331 /nfs/dbraw/zinc/53/53/31/851535331.db2.gz CNWKPWPRJJTAGG-UHFFFAOYSA-N 0 3 404.436 4.367 20 30 HIEDHN CN(C)CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCCCC1 ZINC000065746289 852243002 /nfs/dbraw/zinc/24/30/02/852243002.db2.gz CQESLAQVLKYVBO-UHFFFAOYSA-N 0 3 405.542 4.474 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000065930875 852322684 /nfs/dbraw/zinc/32/26/84/852322684.db2.gz JOUKJNGRGLTVKX-UHFFFAOYSA-N 0 3 417.534 4.383 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000072094212 852507430 /nfs/dbraw/zinc/50/74/30/852507430.db2.gz JUAKWKAXMZODJE-BUHFOSPRSA-N 0 3 417.553 4.483 20 30 HIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000097592672 852640646 /nfs/dbraw/zinc/64/06/46/852640646.db2.gz UVHREABFPXFLBK-QGZVFWFLSA-N 0 3 417.475 4.346 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000107876224 852805848 /nfs/dbraw/zinc/80/58/48/852805848.db2.gz XOMGAJDGCZROAH-UHFFFAOYSA-N 0 3 413.521 4.341 20 30 HIEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000110451892 853101193 /nfs/dbraw/zinc/10/11/93/853101193.db2.gz LUFNODCJEJCMPW-BGYRXZFFSA-N 0 3 417.553 4.187 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000111018976 853188114 /nfs/dbraw/zinc/18/81/14/853188114.db2.gz UMAXSHCFFMWTFT-FQEVSTJZSA-N 0 3 409.505 4.383 20 30 HIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138723399 853395811 /nfs/dbraw/zinc/39/58/11/853395811.db2.gz FKVXXOJULRUIRW-ZDUSSCGKSA-N 0 3 417.227 4.279 20 30 HIEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2CN(C)C)cc1C ZINC000149898313 853633758 /nfs/dbraw/zinc/63/37/58/853633758.db2.gz UVIIDYRMANZRRD-UHFFFAOYSA-N 0 3 415.541 4.072 20 30 HIEDHN N#Cc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000301063569 854284615 /nfs/dbraw/zinc/28/46/15/854284615.db2.gz BOZDYPHINGGUST-UHFFFAOYSA-N 0 3 404.392 4.198 20 30 HIEDHN CC(C)(C)Oc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301885489 854484073 /nfs/dbraw/zinc/48/40/73/854484073.db2.gz OSVNBQABDMDEAC-UHFFFAOYSA-N 0 3 408.502 4.356 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000303383920 854902438 /nfs/dbraw/zinc/90/24/38/854902438.db2.gz XXUXCRRWQCCDRN-MRXNPFEDSA-N 0 3 408.384 4.110 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000303383918 854902499 /nfs/dbraw/zinc/90/24/99/854902499.db2.gz XXUXCRRWQCCDRN-INIZCTEOSA-N 0 3 408.384 4.110 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(OC)c1 ZINC000426135193 856130972 /nfs/dbraw/zinc/13/09/72/856130972.db2.gz ZVEXIINFSWFJRY-FQEVSTJZSA-N 0 3 400.910 4.425 20 30 HIEDHN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000429759174 857875425 /nfs/dbraw/zinc/87/54/25/857875425.db2.gz SQYJJOIZZBLHTR-HSZRJFAPSA-N 0 3 409.530 4.054 20 30 HIEDHN CC(C)N1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429775872 857880591 /nfs/dbraw/zinc/88/05/91/857880591.db2.gz QVFLYZSFGXISEZ-HKUYNNGSSA-N 0 3 420.941 4.164 20 30 HIEDHN CC(C)N1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429775875 857880650 /nfs/dbraw/zinc/88/06/50/857880650.db2.gz QVFLYZSFGXISEZ-PKOBYXMFSA-N 0 3 420.941 4.164 20 30 HIEDHN C=CCn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccco1 ZINC000430114262 858038229 /nfs/dbraw/zinc/03/82/29/858038229.db2.gz BXZZCSPKEVCGCW-LJQANCHMSA-N 0 3 410.543 4.107 20 30 HIEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000430182735 858070603 /nfs/dbraw/zinc/07/06/03/858070603.db2.gz ZFXLZRMTSVGOCE-GOSISDBHSA-N 0 3 413.403 4.015 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430577786 858225473 /nfs/dbraw/zinc/22/54/73/858225473.db2.gz VGZQRTRZVLNVSW-LJQANCHMSA-N 0 3 424.358 4.475 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000431060428 858427026 /nfs/dbraw/zinc/42/70/26/858427026.db2.gz YMEWLYDJUVNILY-LEWJYISDSA-N 0 3 408.521 4.107 20 30 HIEDHN N#CC(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000431143727 858468596 /nfs/dbraw/zinc/46/85/96/858468596.db2.gz MZAOGGKAJLXBHH-GFCCVEGCSA-N 0 3 414.137 4.261 20 30 HIEDHN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010765 859476016 /nfs/dbraw/zinc/47/60/16/859476016.db2.gz LRPBXXMFWYHCMY-PKTZIBPZSA-N 0 3 421.541 4.392 20 30 HIEDHN N#CCCC[C@H](NCCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000433022587 859484605 /nfs/dbraw/zinc/48/46/05/859484605.db2.gz WGIDYHJMVBTYOQ-IBGZPJMESA-N 0 3 421.360 4.248 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000438445964 863871590 /nfs/dbraw/zinc/87/15/90/863871590.db2.gz DKROZNZHFHAUHC-DQEYMECFSA-N 0 3 421.585 4.311 20 30 HIEDHN CC(C)C1CCC(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000438545181 863973627 /nfs/dbraw/zinc/97/36/27/863973627.db2.gz IDHBTDCSHRTCGN-UVKLAMSESA-N 0 3 410.606 4.154 20 30 HIEDHN CC(C)C1CCC(N2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)CC1 ZINC000438557727 863989597 /nfs/dbraw/zinc/98/95/97/863989597.db2.gz DSZNHRYALUXVSD-UHFFFAOYSA-N 0 3 414.619 4.073 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438656801 864102388 /nfs/dbraw/zinc/10/23/88/864102388.db2.gz PIJFDOWLGWJSFW-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000439123292 864558474 /nfs/dbraw/zinc/55/84/74/864558474.db2.gz JCXAGCPACUSQMG-UHFFFAOYSA-N 0 3 420.395 4.379 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCN(C3CCC(C(C)C)CC3)CC2)c1C ZINC000440329347 865605632 /nfs/dbraw/zinc/60/56/32/865605632.db2.gz VPRKVUQADSNFIV-UHFFFAOYSA-N 0 3 424.633 4.383 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc(NC(C)=O)c1OC ZINC000442673281 867609389 /nfs/dbraw/zinc/60/93/89/867609389.db2.gz TTXJJQIEOIVABY-MRXNPFEDSA-N 0 3 421.478 4.276 20 30 HIEDHN CN(CCCSCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442893615 867725652 /nfs/dbraw/zinc/72/56/52/867725652.db2.gz TVROYWZFIRCNDZ-INIZCTEOSA-N 0 3 413.381 4.086 20 30 HIEDHN CC[C@]1(C)Oc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2O1 ZINC000443378729 867939738 /nfs/dbraw/zinc/93/97/38/867939738.db2.gz JXQLIPZYAUCDAT-HSZRJFAPSA-N 0 3 408.502 4.051 20 30 HIEDHN CC[C@@]1(C)Oc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2O1 ZINC000443378732 867940254 /nfs/dbraw/zinc/94/02/54/867940254.db2.gz JXQLIPZYAUCDAT-QHCPKHFHSA-N 0 3 408.502 4.051 20 30 HIEDHN COc1ccc([C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)N(C)C)cc1OC ZINC000443428493 868011352 /nfs/dbraw/zinc/01/13/52/868011352.db2.gz IWCCLXQNCKCOHV-GOSISDBHSA-N 0 3 412.440 4.117 20 30 HIEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000443661038 868266875 /nfs/dbraw/zinc/26/68/75/868266875.db2.gz ZZGUNGFSLPRCGQ-BGYRXZFFSA-N 0 3 421.541 4.164 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445883760 869871861 /nfs/dbraw/zinc/87/18/61/869871861.db2.gz FUYDJRMWTVCGDF-GOSISDBHSA-N 0 3 406.452 4.471 20 30 HIEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445898000 869877085 /nfs/dbraw/zinc/87/70/85/869877085.db2.gz FFPDISBUEZCCGA-SFHVURJKSA-N 0 3 414.303 4.105 20 30 HIEDHN C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460556454 873275776 /nfs/dbraw/zinc/27/57/76/873275776.db2.gz HHGLUNQHNCUREY-APWZRJJASA-N 0 3 415.969 4.321 20 30 HIEDHN C=C(C)Cn1c(CCC(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460795067 873664669 /nfs/dbraw/zinc/66/46/69/873664669.db2.gz RKJOOGUDGAUMSS-UHFFFAOYSA-N 0 3 406.578 4.027 20 30 HIEDHN Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)c1 ZINC000468768148 882850604 /nfs/dbraw/zinc/85/06/04/882850604.db2.gz ARNSKNXIGNIFCJ-FQEVSTJZSA-N 0 3 422.598 4.398 20 30 HIEDHN Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462246629 875363272 /nfs/dbraw/zinc/36/32/72/875363272.db2.gz LQYRHTGTMWUWCQ-AUSIDOKSSA-N 0 3 413.525 4.252 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000462247299 875364395 /nfs/dbraw/zinc/36/43/95/875364395.db2.gz NAVPFSQRXDAIQH-MRXNPFEDSA-N 0 3 403.448 4.271 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462248235 875366110 /nfs/dbraw/zinc/36/61/10/875366110.db2.gz SGTKMPZCNWVNHE-MRXNPFEDSA-N 0 3 403.448 4.271 20 30 HIEDHN COc1ccccc1-n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000467195509 880925510 /nfs/dbraw/zinc/92/55/10/880925510.db2.gz LLIVEGGSVRDYTI-CQSZACIVSA-N 0 3 421.407 4.424 20 30 HIEDHN CS(=O)(=O)c1cccc([C@@H](NCCc2cccc(C#N)c2)c2ccc(F)cc2)c1 ZINC000467438955 881240035 /nfs/dbraw/zinc/24/00/35/881240035.db2.gz JFNMIINYDWAVNW-QHCPKHFHSA-N 0 3 408.498 4.023 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)CC1 ZINC000469283626 883381244 /nfs/dbraw/zinc/38/12/44/883381244.db2.gz SYCXOUXJRYBZRH-SFHVURJKSA-N 0 3 408.571 4.475 20 30 HIEDHN C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](c1ccccc1)N(C)C ZINC000471578163 886290237 /nfs/dbraw/zinc/29/02/37/886290237.db2.gz OHMALFSLIASSNW-GAJHUEQPSA-N 0 3 403.482 4.151 20 30 HIEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000472186009 886986217 /nfs/dbraw/zinc/98/62/17/886986217.db2.gz FHMMXPLFEAPJGS-DEOSSOPVSA-N 0 3 407.558 4.065 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000473837986 888675788 /nfs/dbraw/zinc/67/57/88/888675788.db2.gz UVMXCJUWAIJFRT-UHFFFAOYSA-N 0 3 415.541 4.021 20 30 HIEDHN CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000476431055 891343164 /nfs/dbraw/zinc/34/31/64/891343164.db2.gz RTKNDTKRTUTVMS-JOCHJYFZSA-N 0 3 413.525 4.384 20 30 HIEDHN C=C(C)[C@H](NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721988 892826312 /nfs/dbraw/zinc/82/63/12/892826312.db2.gz KBKQSAZGYKLAJI-HOIFWPIMSA-N 0 3 421.532 4.113 20 30 HIEDHN C=C(C)[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721989 892826544 /nfs/dbraw/zinc/82/65/44/892826544.db2.gz KBKQSAZGYKLAJI-HYFFOGBASA-N 0 3 421.532 4.113 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000480145682 895528334 /nfs/dbraw/zinc/52/83/34/895528334.db2.gz HOIPABMMPVDMPT-UHFFFAOYSA-N 0 3 407.436 4.439 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccc(F)cc1F ZINC000505434497 914098435 /nfs/dbraw/zinc/09/84/35/914098435.db2.gz XTPARDRRYIVJEA-HNNXBMFYSA-N 0 3 409.392 4.244 20 30 HIEDHN C=C(C)[C@H](NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(F)c(F)c1 ZINC000481615563 896997603 /nfs/dbraw/zinc/99/76/03/896997603.db2.gz SURJWBBIDWVDEQ-IBGZPJMESA-N 0 3 403.385 4.078 20 30 HIEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CSc1ccc(C#N)cc1 ZINC000482866722 898479147 /nfs/dbraw/zinc/47/91/47/898479147.db2.gz HBCZHRWXVRBGEG-QFIPXVFZSA-N 0 3 407.583 4.240 20 30 HIEDHN CC(C)C[C@@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058163 898731977 /nfs/dbraw/zinc/73/19/77/898731977.db2.gz IXTQBCHQCHVOHV-UXHICEINSA-N 0 3 406.368 4.108 20 30 HIEDHN N#CC(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483190207 898848989 /nfs/dbraw/zinc/84/89/89/898848989.db2.gz CSTHCZKTUKEANJ-INIZCTEOSA-N 0 3 424.382 4.265 20 30 HIEDHN Cc1nc(COc2cccc(C(=O)C(C#N)c3cnc4ccccc4n3)c2)cs1 ZINC000483194603 898851438 /nfs/dbraw/zinc/85/14/38/898851438.db2.gz ILPOPMXSYQNJRD-GOSISDBHSA-N 0 3 400.463 4.464 20 30 HIEDHN CCc1ccc(-c2noc([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000483645276 899301440 /nfs/dbraw/zinc/30/14/40/899301440.db2.gz GLRBBUWXFDANFZ-GOSISDBHSA-N 0 3 415.541 4.486 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000484049772 899682484 /nfs/dbraw/zinc/68/24/84/899682484.db2.gz SXMQXEWOIWILMF-RBUKOAKNSA-N 0 3 410.484 4.000 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC ZINC000505772663 914439776 /nfs/dbraw/zinc/43/97/76/914439776.db2.gz UKZIOZGMVCLKJN-MRXNPFEDSA-N 0 3 423.494 4.390 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)N1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000485334602 900620875 /nfs/dbraw/zinc/62/08/75/900620875.db2.gz XPUODOQGDNHKME-QGZVFWFLSA-N 0 3 414.447 4.126 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000486906710 901953657 /nfs/dbraw/zinc/95/36/57/901953657.db2.gz HELVEYRVFOVTJS-UHFFFAOYSA-N 0 3 403.324 4.159 20 30 HIEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000487381739 902172231 /nfs/dbraw/zinc/17/22/31/902172231.db2.gz UMZHHSAXNOXUKA-KRWDZBQOSA-N 0 3 406.448 4.378 20 30 HIEDHN N#Cc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1Br ZINC000487838912 902399048 /nfs/dbraw/zinc/39/90/48/902399048.db2.gz OAOVSAAPCMKLCN-MRXNPFEDSA-N 0 3 419.348 4.341 20 30 HIEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000488344704 902777628 /nfs/dbraw/zinc/77/76/28/902777628.db2.gz IDYOBLHDLUOZDT-GOSISDBHSA-N 0 3 420.513 4.068 20 30 HIEDHN CC[C@@H](CSc1ccc(Cl)cc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471582 902842253 /nfs/dbraw/zinc/84/22/53/902842253.db2.gz CNWKWNIEQIPWSV-PZJWPPBQSA-N 0 3 413.974 4.473 20 30 HIEDHN C[C@@H]1C[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489074 902851596 /nfs/dbraw/zinc/85/15/96/902851596.db2.gz AEAOQAQPVNBQLI-JSNMRZPZSA-N 0 3 424.342 4.260 20 30 HIEDHN C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000489015854 903121841 /nfs/dbraw/zinc/12/18/41/903121841.db2.gz PZQCVCUWNSEZBZ-GOTSBHOMSA-N 0 3 405.542 4.151 20 30 HIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866794 903638530 /nfs/dbraw/zinc/63/85/30/903638530.db2.gz SJAMSVIJTNSDNF-WMLDXEAASA-N 0 3 413.319 4.127 20 30 HIEDHN Cc1cc(Br)cc2c1[C@@H](N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481414 905764216 /nfs/dbraw/zinc/76/42/16/905764216.db2.gz GNMGQWCIHNOSQN-VQTJNVASSA-N 0 3 424.342 4.007 20 30 HIEDHN C=CCOc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000512571562 921243248 /nfs/dbraw/zinc/24/32/48/921243248.db2.gz CCOHCWLMGADBMM-UHFFFAOYSA-N 0 3 417.347 4.140 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247905 906637735 /nfs/dbraw/zinc/63/77/35/906637735.db2.gz UPRWULIPEQRBIO-GHOZHQTGSA-N 0 3 424.545 4.270 20 30 HIEDHN CN1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497403913 906882566 /nfs/dbraw/zinc/88/25/66/906882566.db2.gz NSENFXGYAIAVKW-JWQCQUIFSA-N 0 3 411.505 4.373 20 30 HIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)N(C)C)cc1 ZINC000512801869 921314064 /nfs/dbraw/zinc/31/40/64/921314064.db2.gz IOGYVUNEBIBAKX-XMMPIXPASA-N 0 3 420.557 4.322 20 30 HIEDHN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499056173 908427332 /nfs/dbraw/zinc/42/73/32/908427332.db2.gz OGALRQDRIJIRCF-MRXNPFEDSA-N 0 3 401.963 4.283 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499194577 908548412 /nfs/dbraw/zinc/54/84/12/908548412.db2.gz PLFUBALSEHLXJN-OFNKIYASSA-N 0 3 409.578 4.215 20 30 HIEDHN N#CC1(CCCN2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CCOCC1 ZINC000499564870 908841931 /nfs/dbraw/zinc/84/19/31/908841931.db2.gz QHGQDIMRYKIKMG-QHCPKHFHSA-N 0 3 405.542 4.135 20 30 HIEDHN COc1cccc(C2(F)CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000500138361 909616121 /nfs/dbraw/zinc/61/61/21/909616121.db2.gz KNNDKNXRUGLVDT-UHFFFAOYSA-N 0 3 404.489 4.428 20 30 HIEDHN CC(C)(CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000502279060 911228961 /nfs/dbraw/zinc/22/89/61/911228961.db2.gz UHMZGBITGCNOLS-UHFFFAOYSA-N 0 3 414.553 4.194 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)c1C#N ZINC000502563901 911570599 /nfs/dbraw/zinc/57/05/99/911570599.db2.gz SNTGCSUHXRNEMS-QZTJIDSGSA-N 0 3 408.493 4.170 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000506279664 914880274 /nfs/dbraw/zinc/88/02/74/914880274.db2.gz LCQAOEGFVQVHGM-UHFFFAOYSA-N 0 3 411.933 4.081 20 30 HIEDHN COc1ccccc1O[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000513406267 921774728 /nfs/dbraw/zinc/77/47/28/921774728.db2.gz OUTBHNCUDUUJCK-OAQYLSRUSA-N 0 3 402.498 4.011 20 30 HIEDHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420075 916188336 /nfs/dbraw/zinc/18/83/36/916188336.db2.gz IBUSSNILFQULMX-UZLBHIALSA-N 0 3 424.932 4.022 20 30 HIEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443412 916213238 /nfs/dbraw/zinc/21/32/38/916213238.db2.gz QXONWFPPIFRWCA-KKSFZXQISA-N 0 3 424.932 4.022 20 30 HIEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507637396 916396122 /nfs/dbraw/zinc/39/61/22/916396122.db2.gz PTWWFNQXAVFXPP-FQEVSTJZSA-N 0 3 415.541 4.276 20 30 HIEDHN COc1cccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)N2CCCC2)c1 ZINC000508100056 916914609 /nfs/dbraw/zinc/91/46/09/916914609.db2.gz ZXVPDQPIWQUHDQ-FQEVSTJZSA-N 0 3 409.534 4.082 20 30 HIEDHN COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)N2CCCC2)c1 ZINC000508100057 916915305 /nfs/dbraw/zinc/91/53/05/916915305.db2.gz ZXVPDQPIWQUHDQ-HXUWFJFHSA-N 0 3 409.534 4.082 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(O)c2nc(C)ccc12 ZINC000509090268 917832065 /nfs/dbraw/zinc/83/20/65/917832065.db2.gz RSYHNDWIVKKODP-UHFFFAOYSA-N 0 3 423.586 4.347 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)CC1 ZINC000509197104 917901774 /nfs/dbraw/zinc/90/17/74/917901774.db2.gz QMIOPKPTVMISDZ-UHFFFAOYSA-N 0 3 420.395 4.163 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(Br)c1 ZINC000509642483 918281986 /nfs/dbraw/zinc/28/19/86/918281986.db2.gz XVWAOKAATQBSRS-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN C=CCc1cc(CNC(=O)c2oc3ccccc3c2CN(C)C)cc(OC)c1OC ZINC000510809005 919284495 /nfs/dbraw/zinc/28/44/95/919284495.db2.gz CSZAHEWELKCAQH-UHFFFAOYSA-N 0 3 408.498 4.170 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000512349875 921096629 /nfs/dbraw/zinc/09/66/29/921096629.db2.gz BVPBEPZIALLFNZ-UHFFFAOYSA-N 0 3 411.571 4.002 20 30 HIEDHN CCCN1CCN(c2ccc(NC(=O)c3cccc(C#N)c3C)c(OCC)c2)CC1 ZINC000513738696 922059192 /nfs/dbraw/zinc/05/91/92/922059192.db2.gz YBDURNWCQJWNCO-UHFFFAOYSA-N 0 3 406.530 4.050 20 30 HIEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2cccc(C#N)c2)CC1 ZINC000515722412 923304132 /nfs/dbraw/zinc/30/41/32/923304132.db2.gz PRKWBTMHPNALCQ-UHFFFAOYSA-N 0 3 412.331 4.057 20 30 HIEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000517323997 924101962 /nfs/dbraw/zinc/10/19/62/924101962.db2.gz IVBDUIMXRIMCPU-UHFFFAOYSA-N 0 3 424.358 4.326 20 30 HIEDHN N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000517360542 924131915 /nfs/dbraw/zinc/13/19/15/924131915.db2.gz HWTIATIKSXJPBW-HXUWFJFHSA-N 0 3 415.468 4.494 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000518017108 926956448 /nfs/dbraw/zinc/95/64/48/926956448.db2.gz WWCYVTKPBSDWBN-UHFFFAOYSA-N 0 3 404.967 4.222 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000518580331 927360164 /nfs/dbraw/zinc/36/01/64/927360164.db2.gz RYTZFNCEIQNWMQ-UHFFFAOYSA-N 0 3 408.477 4.048 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000519270351 927857163 /nfs/dbraw/zinc/85/71/63/927857163.db2.gz IXRIBUOQSYZUKZ-UHFFFAOYSA-N 0 3 405.420 4.273 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000519271131 927858085 /nfs/dbraw/zinc/85/80/85/927858085.db2.gz WTLLYNHWNIOBHD-UHFFFAOYSA-N 0 3 420.582 4.430 20 30 HIEDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520338555 928501797 /nfs/dbraw/zinc/50/17/97/928501797.db2.gz LVSDBWHABGNDHZ-UHFFFAOYSA-N 0 3 406.530 4.330 20 30 HIEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCc2ccccc21 ZINC000521819987 929477618 /nfs/dbraw/zinc/47/76/18/929477618.db2.gz PXLGHVPVNPLMDL-HSZRJFAPSA-N 0 3 422.573 4.351 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000524877973 929869198 /nfs/dbraw/zinc/86/91/98/929869198.db2.gz RZFVMWKTNFIRCL-DEOSSOPVSA-N 0 3 407.558 4.284 20 30 HIEDHN C=CCOc1c(Br)cc(CN(C)CCc2ccccn2)cc1OCC ZINC000527358169 930645108 /nfs/dbraw/zinc/64/51/08/930645108.db2.gz VMXXQZMTVKYXBI-UHFFFAOYSA-N 0 3 405.336 4.482 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000530356731 930692807 /nfs/dbraw/zinc/69/28/07/930692807.db2.gz CAMPXHGENVMPCG-PKTZIBPZSA-N 0 3 418.541 4.068 20 30 HIEDHN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532970900 931720264 /nfs/dbraw/zinc/72/02/64/931720264.db2.gz ACDHSLGBLKLVDJ-ZLGUVYLKSA-N 0 3 415.603 4.353 20 30 HIEDHN C[C@@H]1CN([C@@H](CNCc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989715 931729040 /nfs/dbraw/zinc/72/90/40/931729040.db2.gz UTLLMQBWYISJAQ-VLIAUNLRSA-N 0 3 405.876 4.041 20 30 HIEDHN C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000533936327 932110126 /nfs/dbraw/zinc/11/01/26/932110126.db2.gz AYQYYUQCMCTQNL-AUSIDOKSSA-N 0 3 405.542 4.151 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)CC1 ZINC000535309365 933064326 /nfs/dbraw/zinc/06/43/26/933064326.db2.gz QXEOCDYDQXOGJR-GOSISDBHSA-N 0 3 405.542 4.127 20 30 HIEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287826 933698827 /nfs/dbraw/zinc/69/88/27/933698827.db2.gz QBSLKRDBALPRNI-SBUREZEXSA-N 0 3 407.514 4.080 20 30 HIEDHN C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000537296689 933702381 /nfs/dbraw/zinc/70/23/81/933702381.db2.gz VSRMGOJKVITKTO-GOSISDBHSA-N 0 3 416.525 4.164 20 30 HIEDHN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1 ZINC000537884174 938399286 /nfs/dbraw/zinc/39/92/86/938399286.db2.gz XLKKDXKXMSESCP-UHFFFAOYSA-N 0 3 424.455 4.112 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000538239121 938570520 /nfs/dbraw/zinc/57/05/20/938570520.db2.gz FIUHNHMLOYDMSM-GOSISDBHSA-N 0 3 421.932 4.432 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266925 938579069 /nfs/dbraw/zinc/57/90/69/938579069.db2.gz RRDUNQQAUPNAGY-CABCVRRESA-N 0 3 407.905 4.384 20 30 HIEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c2cnn(Cc3cccs3)c2n1 ZINC000538547039 938645946 /nfs/dbraw/zinc/64/59/46/938645946.db2.gz VVXZQFJUDXXXFW-INIZCTEOSA-N 0 3 412.478 4.216 20 30 HIEDHN Cc1ccc([C@H](C)NCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cc1 ZINC000539234976 938823090 /nfs/dbraw/zinc/82/30/90/938823090.db2.gz YCJNKHKRMAJMRF-AZUAARDMSA-N 0 3 420.557 4.015 20 30 HIEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490677 938867568 /nfs/dbraw/zinc/86/75/68/938867568.db2.gz HNOKUZGXRRYMEZ-ASSNKEHSSA-N 0 3 411.889 4.051 20 30 HIEDHN C=CCOc1c(Br)cc(CN2CCC[C@H]2C2CCOCC2)cc1OC ZINC000539669351 938897881 /nfs/dbraw/zinc/89/78/81/938897881.db2.gz QHBBFAQHHAMHFT-SFHVURJKSA-N 0 3 410.352 4.414 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000539830041 938949693 /nfs/dbraw/zinc/94/96/93/938949693.db2.gz LDUOOMQNQFOTNE-UHFFFAOYSA-N 0 3 403.324 4.165 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000540342938 939200925 /nfs/dbraw/zinc/20/09/25/939200925.db2.gz QHQTVOSQIIEKDX-SFHVURJKSA-N 0 3 413.587 4.369 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000540470537 939265729 /nfs/dbraw/zinc/26/57/29/939265729.db2.gz GFGAHGOKGXJPTL-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000540829042 939386855 /nfs/dbraw/zinc/38/68/55/939386855.db2.gz CBDYFENPBIWNQP-UHFFFAOYSA-N 0 3 408.333 4.259 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158970 939480724 /nfs/dbraw/zinc/48/07/24/939480724.db2.gz QCIWCNFXGGXOGR-CYFREDJKSA-N 0 3 420.557 4.038 20 30 HIEDHN N#Cc1ccc(CN(CCc2nc3sc4c(c3c(N)n2)CCCC4)C2CC2)cc1 ZINC000541315893 939490667 /nfs/dbraw/zinc/49/06/67/939490667.db2.gz NAMYSCQIVWRRGA-UHFFFAOYSA-N 0 3 403.555 4.231 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(OC)c1 ZINC000541452158 939520251 /nfs/dbraw/zinc/52/02/51/939520251.db2.gz ZGXHCRKQBUVFTP-DEOSSOPVSA-N 0 3 420.557 4.324 20 30 HIEDHN N#Cc1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000541600909 939565262 /nfs/dbraw/zinc/56/52/62/939565262.db2.gz CSIGQIHBLJTNLT-IBGZPJMESA-N 0 3 405.889 4.107 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541692344 939605992 /nfs/dbraw/zinc/60/59/92/939605992.db2.gz YOSBBFGAEGOGQA-BMCPXHGSSA-N 0 3 409.555 4.420 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541699097 939608213 /nfs/dbraw/zinc/60/82/13/939608213.db2.gz LKRQNCAALQXFJA-JTSKRJEESA-N 0 3 414.509 4.059 20 30 HIEDHN CC(C)n1nnnc1-c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000542174174 939743715 /nfs/dbraw/zinc/74/37/15/939743715.db2.gz SJLJNAKMMKAQOZ-UHFFFAOYSA-N 0 3 419.508 4.008 20 30 HIEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1OC1CCCC1 ZINC000542192304 939751450 /nfs/dbraw/zinc/75/14/50/939751450.db2.gz RUIQOIGSPRPHLW-UHFFFAOYSA-N 0 3 421.541 4.092 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809965 940193463 /nfs/dbraw/zinc/19/34/63/940193463.db2.gz SZKTYOOEDSOLEX-LSDHHAIUSA-N 0 3 419.554 4.280 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@](O)(C(F)(F)F)CC3)c2)c1 ZINC000563839794 945310407 /nfs/dbraw/zinc/31/04/07/945310407.db2.gz CBAPARLYGBXHSI-OAQYLSRUSA-N 0 3 404.432 4.417 20 30 HIEDHN N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000547984521 941081987 /nfs/dbraw/zinc/08/19/87/941081987.db2.gz LLSFUDOZKVSYLW-LJQANCHMSA-N 0 3 405.889 4.107 20 30 HIEDHN Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000548617418 941115296 /nfs/dbraw/zinc/11/52/96/941115296.db2.gz ZIJYPEPIJDJUKK-FQEVSTJZSA-N 0 3 419.916 4.416 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549248776 941174085 /nfs/dbraw/zinc/17/40/85/941174085.db2.gz XNKSAADWEDRZHV-SFHVURJKSA-N 0 3 413.541 4.198 20 30 HIEDHN N#Cc1cc2c(nc1N1CCCN(Cc3ccc(C(F)(F)F)cc3)CC1)CCC2 ZINC000549814743 941208296 /nfs/dbraw/zinc/20/82/96/941208296.db2.gz NTVSOXDUJZPEEF-UHFFFAOYSA-N 0 3 400.448 4.173 20 30 HIEDHN COC(=O)c1cccc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c1C#N ZINC000550028660 941268887 /nfs/dbraw/zinc/26/88/87/941268887.db2.gz IAGBJGYSDMQAPL-UHFFFAOYSA-N 0 3 416.880 4.019 20 30 HIEDHN Cc1cc(C#N)cnc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000550210955 941298693 /nfs/dbraw/zinc/29/86/93/941298693.db2.gz CTPHVPCIVHRFGF-UHFFFAOYSA-N 0 3 417.340 4.307 20 30 HIEDHN N#CC(C(=O)c1cc(F)c(Br)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000552070954 941578788 /nfs/dbraw/zinc/57/87/88/941578788.db2.gz KFXOQNIYZWTHNU-JTQLQIEISA-N 0 3 411.662 4.050 20 30 HIEDHN CN(CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000552861677 941790976 /nfs/dbraw/zinc/79/09/76/941790976.db2.gz ZUMWBXXQCBIKGU-UHFFFAOYSA-N 0 3 424.976 4.066 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000554177456 942059050 /nfs/dbraw/zinc/05/90/50/942059050.db2.gz VXQBJPNERXPHFN-AUSIDOKSSA-N 0 3 420.557 4.314 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000554216445 942070558 /nfs/dbraw/zinc/07/05/58/942070558.db2.gz GYAYPFZTSYCHRE-HSZRJFAPSA-N 0 3 411.594 4.417 20 30 HIEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461271 942563126 /nfs/dbraw/zinc/56/31/26/942563126.db2.gz YGFVKRWPQOGEBK-HIFRSBDPSA-N 0 3 401.308 4.371 20 30 HIEDHN COc1ccc(C[C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2)cc1OC ZINC000556596793 942909962 /nfs/dbraw/zinc/90/99/62/942909962.db2.gz UFQAACWJBVKJMF-JOCHJYFZSA-N 0 3 412.493 4.297 20 30 HIEDHN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000558759481 943649180 /nfs/dbraw/zinc/64/91/80/943649180.db2.gz FJDMSIXJPPSQEH-LJQANCHMSA-N 0 3 405.542 4.091 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1c1cccc3c1OCCO3)CCC2 ZINC000559728748 944038070 /nfs/dbraw/zinc/03/80/70/944038070.db2.gz CKEQTYZCZRKXNH-GOSISDBHSA-N 0 3 423.538 4.045 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CCCOC)c2ccc(Cl)cc2)CC1 ZINC000561536550 944661202 /nfs/dbraw/zinc/66/12/02/944661202.db2.gz MKGIYRSISROXPX-IBGZPJMESA-N 0 3 407.986 4.190 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086308 944930407 /nfs/dbraw/zinc/93/04/07/944930407.db2.gz ATXQMJJPANAHBX-CJNGLKHVSA-N 0 3 424.423 4.343 20 30 HIEDHN CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382413 945545094 /nfs/dbraw/zinc/54/50/94/945545094.db2.gz SRDTZBKAGDCZEP-DHIUTWEWSA-N 0 3 403.526 4.288 20 30 HIEDHN COc1cccc([C@H](CNC[C@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945721 947818677 /nfs/dbraw/zinc/81/86/77/947818677.db2.gz QASCLVPSGQLBNG-PXNSSMCTSA-N 0 3 402.498 4.350 20 30 HIEDHN CS(=O)(=O)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)c1 ZINC000328608442 569419426 /nfs/dbraw/zinc/41/94/26/569419426.db2.gz ZATDBYVRNCVQPY-NFBKMPQASA-N 0 3 412.555 4.122 20 30 HIEDHN N#CC1(c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2)CCOCC1 ZINC001164996611 722206842 /nfs/dbraw/zinc/20/68/42/722206842.db2.gz UJNKGIZPCHHOEA-RUZDIDTESA-N 0 3 420.532 4.037 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303528 861606410 /nfs/dbraw/zinc/60/64/10/861606410.db2.gz CTQPWEAUHFMIQQ-WTOYTKOKSA-N 0 3 421.509 4.029 20 30 HIEDHN CCn1c(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)nnc1C1CC1 ZINC000026111168 847087775 /nfs/dbraw/zinc/08/77/75/847087775.db2.gz ZZPPWMHKXGAMHE-OAHLLOKOSA-N 0 3 409.540 4.267 20 30 HIEDHN CCOc1ccc([C@H](NC[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537108 847731901 /nfs/dbraw/zinc/73/19/01/847731901.db2.gz GYIHVPJFGGOEFW-RCZVLFRGSA-N 0 3 402.494 4.076 20 30 HIEDHN Cc1ccc(-c2nc(C)c(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)s2)o1 ZINC000044566531 848571468 /nfs/dbraw/zinc/57/14/68/848571468.db2.gz GLZSFAJHQNYJRH-UHFFFAOYSA-N 0 3 408.527 4.096 20 30 HIEDHN CC(C)Oc1ccccc1[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046648790 848898200 /nfs/dbraw/zinc/89/82/00/848898200.db2.gz UZQHREVZGFDUHQ-IBGZPJMESA-N 0 3 408.546 4.180 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000058490828 850837885 /nfs/dbraw/zinc/83/78/85/850837885.db2.gz UIBBUZLYORUIBO-GOSISDBHSA-N 0 3 423.538 4.045 20 30 HIEDHN N#Cc1ccc(CSCC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000060220918 851052893 /nfs/dbraw/zinc/05/28/93/851052893.db2.gz PTIKXYVOIPVWMK-UHFFFAOYSA-N 0 3 411.596 4.021 20 30 HIEDHN COc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OCCCC#N ZINC000064614484 851941708 /nfs/dbraw/zinc/94/17/08/851941708.db2.gz MJUJTQCPCSXVSI-XMMPIXPASA-N 0 3 408.498 4.390 20 30 HIEDHN N#Cc1cc(NC(=O)N2CCN(CC3CCCCC3)CC2)ccc1OCC(F)(F)F ZINC000065409278 852122579 /nfs/dbraw/zinc/12/25/79/852122579.db2.gz PEALCDAOYPFBEF-UHFFFAOYSA-N 0 3 424.467 4.229 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000065930163 852320343 /nfs/dbraw/zinc/32/03/43/852320343.db2.gz GNEVETWKCBFSQM-UHFFFAOYSA-N 0 3 408.502 4.025 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000065931297 852322009 /nfs/dbraw/zinc/32/20/09/852322009.db2.gz WJJMNESZPXWYTC-UHFFFAOYSA-N 0 3 401.963 4.284 20 30 HIEDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000105423653 852704728 /nfs/dbraw/zinc/70/47/28/852704728.db2.gz WGMYXRWUNCFYSY-FQEVSTJZSA-N 0 3 413.905 4.395 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000107653011 852784330 /nfs/dbraw/zinc/78/43/30/852784330.db2.gz SSGLYFXYZDAPRK-UHFFFAOYSA-N 0 3 413.521 4.341 20 30 HIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138723299 853395735 /nfs/dbraw/zinc/39/57/35/853395735.db2.gz FKVXXOJULRUIRW-CYBMUJFWSA-N 0 3 417.227 4.279 20 30 HIEDHN COc1ccc(CNCc2ccnc(N3CCCCCC3)c2)cc1OCCCC#N ZINC000237267567 853994241 /nfs/dbraw/zinc/99/42/41/853994241.db2.gz XQWZFJZRDWWUPU-UHFFFAOYSA-N 0 3 408.546 4.443 20 30 HIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000237511335 854048529 /nfs/dbraw/zinc/04/85/29/854048529.db2.gz BEFSWOXDJRSDPL-OAHLLOKOSA-N 0 3 408.951 4.006 20 30 HIEDHN COc1ccccc1[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CCCC1 ZINC000301542553 854416979 /nfs/dbraw/zinc/41/69/79/854416979.db2.gz SMYBYMATFYTBSH-NRFANRHFSA-N 0 3 417.469 4.272 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000303381424 854902082 /nfs/dbraw/zinc/90/20/82/854902082.db2.gz XNVRWALLHRSUMC-QHCPKHFHSA-N 0 3 411.521 4.263 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303435160 854935326 /nfs/dbraw/zinc/93/53/26/854935326.db2.gz GSVMYPJNBGEPJG-SFTDATJTSA-N 0 3 415.459 4.271 20 30 HIEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000303844800 855242140 /nfs/dbraw/zinc/24/21/40/855242140.db2.gz NMEVDWPXSFXECM-SFHVURJKSA-N 0 3 422.460 4.014 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000426044789 856069509 /nfs/dbraw/zinc/06/95/09/856069509.db2.gz MTOFOGQWUTXLAX-GOSISDBHSA-N 0 3 416.978 4.424 20 30 HIEDHN C=CCN(C)Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000428392023 857187995 /nfs/dbraw/zinc/18/79/95/857187995.db2.gz SDLABEJQLVEBRM-UHFFFAOYSA-N 0 3 414.458 4.057 20 30 HIEDHN N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428666199 857293111 /nfs/dbraw/zinc/29/31/11/857293111.db2.gz GXJMEZZKRXYAFJ-LJQANCHMSA-N 0 3 408.452 4.088 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429408802 857649785 /nfs/dbraw/zinc/64/97/85/857649785.db2.gz NTENFYKWIXJFKA-WSXQUGQNSA-N 0 3 406.368 4.105 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000429514932 857709652 /nfs/dbraw/zinc/70/96/52/857709652.db2.gz FDKVJANCWQQTLB-UHFFFAOYSA-N 0 3 422.360 4.400 20 30 HIEDHN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OCc1ccccn1 ZINC000430183485 858070377 /nfs/dbraw/zinc/07/03/77/858070377.db2.gz CVEHVJBGKPTPTI-QHCPKHFHSA-N 0 3 414.509 4.197 20 30 HIEDHN C=CCN1C(=O)N(C[C@H]2CCCN(Cc3cccs3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431165825 858481880 /nfs/dbraw/zinc/48/18/80/858481880.db2.gz HHAUWKQEGWDOJA-RBBKRZOGSA-N 0 3 423.582 4.022 20 30 HIEDHN N#CCC1(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000431198820 858499573 /nfs/dbraw/zinc/49/95/73/858499573.db2.gz VMUGWTKICHGMRR-UHFFFAOYSA-N 0 3 409.361 4.295 20 30 HIEDHN N#CCCC[C@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000433029194 859488288 /nfs/dbraw/zinc/48/82/88/859488288.db2.gz RHMHSAWZFOUNJG-IBGZPJMESA-N 0 3 421.360 4.248 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CC1 ZINC000433669618 859831986 /nfs/dbraw/zinc/83/19/86/859831986.db2.gz LCMFXCIKGQJCIY-UHFFFAOYSA-N 0 3 422.316 4.348 20 30 HIEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000434348159 860304532 /nfs/dbraw/zinc/30/45/32/860304532.db2.gz DKIYWGYVYYIWBA-DEOSSOPVSA-N 0 3 420.532 4.426 20 30 HIEDHN N#CCCn1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435124286 860651750 /nfs/dbraw/zinc/65/17/50/860651750.db2.gz NVMMIWXQSGULEN-HSZRJFAPSA-N 0 3 401.514 4.040 20 30 HIEDHN N#CCSc1cccc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000435366315 860765307 /nfs/dbraw/zinc/76/53/07/860765307.db2.gz LBFTZXUGYWTACY-HXUWFJFHSA-N 0 3 417.538 4.198 20 30 HIEDHN C[C@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000435890098 861145929 /nfs/dbraw/zinc/14/59/29/861145929.db2.gz XPDINRQDRZFSGS-HOTGVXAUSA-N 0 3 400.320 4.435 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000438453040 863877390 /nfs/dbraw/zinc/87/73/90/863877390.db2.gz YKSDABYSRQYSGR-AQYVVDRMSA-N 0 3 410.949 4.231 20 30 HIEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000438471695 863890964 /nfs/dbraw/zinc/89/09/64/863890964.db2.gz MJVXTNGPRWCESD-UHFFFAOYSA-N 0 3 419.550 4.403 20 30 HIEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438636256 864068338 /nfs/dbraw/zinc/06/83/38/864068338.db2.gz KBQBKUJRTYSMJC-SFHVURJKSA-N 0 3 402.420 4.363 20 30 HIEDHN Cc1nc(SCC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c(C#N)c(C)c1C ZINC000438714244 864197670 /nfs/dbraw/zinc/19/76/70/864197670.db2.gz LVYZRILHIDDRNG-UHFFFAOYSA-N 0 3 422.598 4.094 20 30 HIEDHN CCCc1c(NC(=O)N(CCN(C)C)C2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439683162 865018694 /nfs/dbraw/zinc/01/86/94/865018694.db2.gz GWBIKUJVYZSMHX-UHFFFAOYSA-N 0 3 408.550 4.035 20 30 HIEDHN COc1cccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)N2CCCC2)c1 ZINC000440216454 865451212 /nfs/dbraw/zinc/45/12/12/865451212.db2.gz OVTAHXZJXCTKIU-DHIUTWEWSA-N 0 3 406.530 4.176 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC#Cc1ccc(Cl)cc1 ZINC000443409170 867989491 /nfs/dbraw/zinc/98/94/91/867989491.db2.gz WDHQITCYEANRGN-UHFFFAOYSA-N 0 3 400.979 4.290 20 30 HIEDHN N#CC(CCN1CCC(N2CCCCC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000444635290 868923038 /nfs/dbraw/zinc/92/30/38/868923038.db2.gz AGQGAPNNPCXXOP-UHFFFAOYSA-N 0 3 401.554 4.363 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468334563 882267471 /nfs/dbraw/zinc/26/74/71/882267471.db2.gz SUNXVFMVMKAZJZ-OAHLLOKOSA-N 0 3 414.377 4.443 20 30 HIEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895082 869876615 /nfs/dbraw/zinc/87/66/15/869876615.db2.gz DXYXUEWICJRZNP-GOSISDBHSA-N 0 3 414.303 4.105 20 30 HIEDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000446419914 870331153 /nfs/dbraw/zinc/33/11/53/870331153.db2.gz QORLHVJHHIHQLG-UHFFFAOYSA-N 0 3 407.445 4.287 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000446634295 870540278 /nfs/dbraw/zinc/54/02/78/870540278.db2.gz CRVMQEHLRJVSKU-DNQXCXABSA-N 0 3 404.558 4.043 20 30 HIEDHN Cc1cnccc1OC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000447083979 870975939 /nfs/dbraw/zinc/97/59/39/870975939.db2.gz CKPOYCQGXAVPIZ-UHFFFAOYSA-N 0 3 401.514 4.211 20 30 HIEDHN CC[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537544 871403306 /nfs/dbraw/zinc/40/33/06/871403306.db2.gz WRVRDQHZDWGEKX-MBSDFSHPSA-N 0 3 411.571 4.220 20 30 HIEDHN C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460764647 873606211 /nfs/dbraw/zinc/60/62/11/873606211.db2.gz AUDMWLYKBQGUJP-QGZVFWFLSA-N 0 3 408.384 4.410 20 30 HIEDHN COc1ccc(CN2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)cc1 ZINC000461459803 874520260 /nfs/dbraw/zinc/52/02/60/874520260.db2.gz FDYZFHWUIALXES-UHFFFAOYSA-N 0 3 400.526 4.444 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462248234 875366781 /nfs/dbraw/zinc/36/67/81/875366781.db2.gz SGTKMPZCNWVNHE-INIZCTEOSA-N 0 3 403.448 4.271 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1C ZINC000463195173 876254190 /nfs/dbraw/zinc/25/41/90/876254190.db2.gz VUCFLCSLHYDWHO-LJAMWKNPSA-N 0 3 411.590 4.202 20 30 HIEDHN N#Cc1ccc(CN2CCC(N[C@@H](CO)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000463246904 876305128 /nfs/dbraw/zinc/30/51/28/876305128.db2.gz YCKDKVAIJOAHEU-FQEVSTJZSA-N 0 3 404.341 4.153 20 30 HIEDHN Cc1nc(-c2cccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2)cs1 ZINC000463494978 876553568 /nfs/dbraw/zinc/55/35/68/876553568.db2.gz YMPXEWRGHDJFOH-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000464599815 877826851 /nfs/dbraw/zinc/82/68/51/877826851.db2.gz DIXNHTDZTIIGPC-AWEZNQCLSA-N 0 3 413.591 4.438 20 30 HIEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464850897 878127686 /nfs/dbraw/zinc/12/76/86/878127686.db2.gz PIMCZKHIYVSDGC-NHCUHLMSSA-N 0 3 422.548 4.057 20 30 HIEDHN Cc1cc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Oc1cccnc1 ZINC000503943200 912876379 /nfs/dbraw/zinc/87/63/79/912876379.db2.gz DWPLCLDZOAXYRI-QHCPKHFHSA-N 0 3 412.493 4.339 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000503955791 912882773 /nfs/dbraw/zinc/88/27/73/912882773.db2.gz MCBAHJNRGVHMAK-UHFFFAOYSA-N 0 3 414.553 4.018 20 30 HIEDHN C=CCc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000470658311 885082860 /nfs/dbraw/zinc/08/28/60/885082860.db2.gz QKFCAJHKEJITEM-JOCHJYFZSA-N 0 3 408.542 4.169 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(Oc4ccccn4)CC3)sc2C1 ZINC000471162849 885717120 /nfs/dbraw/zinc/71/71/20/885717120.db2.gz RJMCGCKONKHKHR-MRXNPFEDSA-N 0 3 424.570 4.012 20 30 HIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472468693 887329411 /nfs/dbraw/zinc/32/94/11/887329411.db2.gz UJBTWWWRACABMZ-UHFFFAOYSA-N 0 3 422.495 4.285 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000504383911 913209267 /nfs/dbraw/zinc/20/92/67/913209267.db2.gz DOXKXXNHNRPNHX-UHFFFAOYSA-N 0 3 405.546 4.144 20 30 HIEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000473524392 888260019 /nfs/dbraw/zinc/26/00/19/888260019.db2.gz ULYPRYNAOYQSTQ-UHFFFAOYSA-N 0 3 412.349 4.380 20 30 HIEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000474780435 889638487 /nfs/dbraw/zinc/63/84/87/889638487.db2.gz LVWYZLBYZXPGTR-UHFFFAOYSA-N 0 3 418.585 4.128 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475520672 890443342 /nfs/dbraw/zinc/44/33/42/890443342.db2.gz SJDPRROCJZPPKW-FYYLOGMGSA-N 0 3 408.521 4.107 20 30 HIEDHN N#CC[C@H](CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000476428232 891341093 /nfs/dbraw/zinc/34/10/93/891341093.db2.gz NYEWVIRVMISBMY-DHIUTWEWSA-N 0 3 413.525 4.356 20 30 HIEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000505437614 914102447 /nfs/dbraw/zinc/10/24/47/914102447.db2.gz DXJCCHDNZVFZGB-GFCCVEGCSA-N 0 3 413.405 4.105 20 30 HIEDHN COc1cc(F)c([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890751 898508198 /nfs/dbraw/zinc/50/81/98/898508198.db2.gz NSZHGEYEELKRNN-GDBMZVCRSA-N 0 3 401.457 4.173 20 30 HIEDHN N#CC(C(=O)c1cccc(N2CCCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000484544830 900026938 /nfs/dbraw/zinc/02/69/38/900026938.db2.gz LVSOVFDRVJJPNH-SFHVURJKSA-N 0 3 402.479 4.220 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484719472 900150642 /nfs/dbraw/zinc/15/06/42/900150642.db2.gz NKKWSNUJWMLORB-OFNKIYASSA-N 0 3 409.578 4.387 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cc(OC)cc(OC)c3)n2)cc1 ZINC000505773236 914441307 /nfs/dbraw/zinc/44/13/07/914441307.db2.gz XRKWICRXKUPFFL-GOSISDBHSA-N 0 3 409.467 4.082 20 30 HIEDHN Clc1cccc(C#CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486837725 901887553 /nfs/dbraw/zinc/88/75/53/901887553.db2.gz DVBAXBGSSRCWSC-AUSIDOKSSA-N 0 3 404.901 4.190 20 30 HIEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000488317232 902763652 /nfs/dbraw/zinc/76/36/52/902763652.db2.gz SKQYFSZHMFCKAM-SFHVURJKSA-N 0 3 420.513 4.068 20 30 HIEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000490099918 903770215 /nfs/dbraw/zinc/77/02/15/903770215.db2.gz ZIUUUDNDYVFRLW-SFHVURJKSA-N 0 3 417.962 4.410 20 30 HIEDHN CCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000491195319 904476992 /nfs/dbraw/zinc/47/69/92/904476992.db2.gz UPLVDQJIDMDOFY-NRFANRHFSA-N 0 3 402.498 4.011 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3OCc3ccncc3)CC2)cc1 ZINC000506249052 914862741 /nfs/dbraw/zinc/86/27/41/914862741.db2.gz YLPSAYOSGIGNSZ-UHFFFAOYSA-N 0 3 412.537 4.240 20 30 HIEDHN C[C@@H](Sc1ccccc1Cl)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000494358847 905660375 /nfs/dbraw/zinc/66/03/75/905660375.db2.gz BQXYZASLYIMKIO-MRXNPFEDSA-N 0 3 401.963 4.283 20 30 HIEDHN Cc1cc(Br)cc2c1[C@H](N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481415 905763275 /nfs/dbraw/zinc/76/32/75/905763275.db2.gz GNMGQWCIHNOSQN-WOJBJXKFSA-N 0 3 424.342 4.007 20 30 HIEDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491644 905776587 /nfs/dbraw/zinc/77/65/87/905776587.db2.gz JGGSPIBWXUDXMU-MZLNMZFDSA-N 0 3 403.954 4.079 20 30 HIEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000494766519 905963624 /nfs/dbraw/zinc/96/36/24/905963624.db2.gz ADZYGRQXCSYRTQ-UHFFFAOYSA-N 0 3 415.493 4.260 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000494830534 906022368 /nfs/dbraw/zinc/02/23/68/906022368.db2.gz ULIJWJPUJPZMQT-UHFFFAOYSA-N 0 3 405.258 4.238 20 30 HIEDHN C=CC[C@H](C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000495026022 906184931 /nfs/dbraw/zinc/18/49/31/906184931.db2.gz PIKFSUQUVJNDOB-VWLOTQADSA-N 0 3 405.586 4.373 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)c1 ZINC000512600489 921255721 /nfs/dbraw/zinc/25/57/21/921255721.db2.gz WGENAYBEFPFTDI-UHFFFAOYSA-N 0 3 419.916 4.452 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512630480 921267941 /nfs/dbraw/zinc/26/79/41/921267941.db2.gz YMKFONDHZVALGE-UHFFFAOYSA-N 0 3 419.525 4.372 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000499043092 908416170 /nfs/dbraw/zinc/41/61/70/908416170.db2.gz JYKLLUCNDXBKGO-VQTJNVASSA-N 0 3 415.459 4.271 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000499052170 908423281 /nfs/dbraw/zinc/42/32/81/908423281.db2.gz HXJPTUDJVZPTEA-UHFFFAOYSA-N 0 3 421.488 4.260 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000502296322 911256649 /nfs/dbraw/zinc/25/66/49/911256649.db2.gz XMKQHAKYTROZFJ-QFIPXVFZSA-N 0 3 412.965 4.359 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000502529723 911532539 /nfs/dbraw/zinc/53/25/39/911532539.db2.gz IKWHCCOYZHTLBX-LJQANCHMSA-N 0 3 419.447 4.155 20 30 HIEDHN Cc1ccccc1[C@H](OC[C@@H](O)CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000506338754 914953245 /nfs/dbraw/zinc/95/32/45/914953245.db2.gz OLZZEWNCDIWWBL-AZGAKELHSA-N 0 3 400.522 4.466 20 30 HIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000506598844 915248814 /nfs/dbraw/zinc/24/88/14/915248814.db2.gz DPXUBDLIKFCZMU-SCLBCKFNSA-N 0 3 401.894 4.297 20 30 HIEDHN COc1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OCCCC#N ZINC000506620109 915279332 /nfs/dbraw/zinc/27/93/32/915279332.db2.gz UBVZKROCDNKBCA-FQEVSTJZSA-N 0 3 423.561 4.075 20 30 HIEDHN CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000506807970 915558589 /nfs/dbraw/zinc/55/85/89/915558589.db2.gz WZVLZKYUXFGALQ-NRFANRHFSA-N 0 3 402.498 4.126 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC1 ZINC000506863270 915651891 /nfs/dbraw/zinc/65/18/91/915651891.db2.gz KJQQRJKRTLZWQJ-UHFFFAOYSA-N 0 3 405.848 4.443 20 30 HIEDHN CCCN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3C)c(OCC)c2)CC1 ZINC000507594158 916348067 /nfs/dbraw/zinc/34/80/67/916348067.db2.gz XJVOLMCYDLCLKV-UHFFFAOYSA-N 0 3 406.530 4.050 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000507850197 916671127 /nfs/dbraw/zinc/67/11/27/916671127.db2.gz WFEZKOGGTJCHCX-KRWDZBQOSA-N 0 3 421.324 4.148 20 30 HIEDHN CCOc1cc(C[NH2+]CCSCc2ccccc2C#N)cc(Br)c1[O-] ZINC000508338889 917142312 /nfs/dbraw/zinc/14/23/12/917142312.db2.gz JBFZVVQWBHGPTI-UHFFFAOYSA-N 0 3 421.360 4.448 20 30 HIEDHN CCOc1cc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000508601883 917371751 /nfs/dbraw/zinc/37/17/51/917371751.db2.gz BERUXQIUFRCKDA-RBUKOAKNSA-N 0 3 423.557 4.396 20 30 HIEDHN C=CCn1c(-c2ccccc2C)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508906720 917661753 /nfs/dbraw/zinc/66/17/53/917661753.db2.gz IEFGACMPZZBAFE-OYRHEFFESA-N 0 3 423.605 4.155 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000508978095 917732224 /nfs/dbraw/zinc/73/22/24/917732224.db2.gz PKKNZJZEQLXRJV-UHFFFAOYSA-N 0 3 413.521 4.194 20 30 HIEDHN C[C@H](OC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062488 917810191 /nfs/dbraw/zinc/81/01/91/917810191.db2.gz GXCWHTLFWAQJRY-LAUBAEHRSA-N 0 3 414.933 4.194 20 30 HIEDHN C=CCc1cc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc(OC)c1O ZINC000509347611 918013529 /nfs/dbraw/zinc/01/35/29/918013529.db2.gz AVFVNAZZWPWOOZ-UHFFFAOYSA-N 0 3 415.921 4.028 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000509603009 918252278 /nfs/dbraw/zinc/25/22/78/918252278.db2.gz QHQOOAXSUDWYER-MGPUTAFESA-N 0 3 405.468 4.220 20 30 HIEDHN Cc1ccc(Br)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000509921448 918521342 /nfs/dbraw/zinc/52/13/42/918521342.db2.gz ZXZAYFOFEDNPPS-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000510819175 919297372 /nfs/dbraw/zinc/29/73/72/919297372.db2.gz BREQKCMFRJLIFU-UHFFFAOYSA-N 0 3 400.400 4.295 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510846694 919333170 /nfs/dbraw/zinc/33/31/70/919333170.db2.gz NAZZIXMLYNVSAF-UHFFFAOYSA-N 0 3 403.482 4.050 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000510923559 919439601 /nfs/dbraw/zinc/43/96/01/919439601.db2.gz UGWCFQLDYMWLRR-UHFFFAOYSA-N 0 3 420.891 4.077 20 30 HIEDHN CCCOc1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc2ccccc21 ZINC000513484097 921838705 /nfs/dbraw/zinc/83/87/05/921838705.db2.gz MVTYUXQVAXVCGQ-UHFFFAOYSA-N 0 3 416.525 4.099 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000513660078 921982323 /nfs/dbraw/zinc/98/23/23/921982323.db2.gz JPLZJOOKDBBOFB-INIZCTEOSA-N 0 3 420.270 4.012 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000517319447 924100516 /nfs/dbraw/zinc/10/05/16/924100516.db2.gz VFXRXIQTCMUSIN-IBGZPJMESA-N 0 3 406.368 4.336 20 30 HIEDHN Cc1cccc(OC(F)F)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000517596502 926704385 /nfs/dbraw/zinc/70/43/85/926704385.db2.gz WLWBVVDCTKKIML-UHFFFAOYSA-N 0 3 402.445 4.064 20 30 HIEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000517664657 926771336 /nfs/dbraw/zinc/77/13/36/926771336.db2.gz NBEVCYKILLBXAH-UHFFFAOYSA-N 0 3 415.493 4.460 20 30 HIEDHN CN(CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 ZINC000518016568 926955142 /nfs/dbraw/zinc/95/51/42/926955142.db2.gz PZADDDPNAJEJKR-UHFFFAOYSA-N 0 3 403.457 4.351 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)CC1 ZINC000518513884 927318057 /nfs/dbraw/zinc/31/80/57/927318057.db2.gz XNMNHSZJEBDPQT-UHFFFAOYSA-N 0 3 421.585 4.490 20 30 HIEDHN Cc1nc(-c2ccc(NC(=O)C(C#N)c3nc4ccccc4s3)cc2)cc(=O)[nH]1 ZINC000519292633 927865422 /nfs/dbraw/zinc/86/54/22/927865422.db2.gz CPMAMMLVSYXUTB-OAHLLOKOSA-N 0 3 401.451 4.013 20 30 HIEDHN C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)NC2(C)C ZINC000520000751 928227391 /nfs/dbraw/zinc/22/73/91/928227391.db2.gz HEAXSCANTQPVSR-ZDUSSCGKSA-N 0 3 408.564 4.004 20 30 HIEDHN Cc1ccccc1-c1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000520235551 928404889 /nfs/dbraw/zinc/40/48/89/928404889.db2.gz GOKAEKHEZLDVGR-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000520682801 928730301 /nfs/dbraw/zinc/73/03/01/928730301.db2.gz PYOFZAGVLQYPBG-UHFFFAOYSA-N 0 3 414.553 4.369 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521121437 929007284 /nfs/dbraw/zinc/00/72/84/929007284.db2.gz IZBFSJBBZWVNLM-WIYYLYMNSA-N 0 3 408.502 4.128 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000521240237 929074020 /nfs/dbraw/zinc/07/40/20/929074020.db2.gz KWRKOXHTMOURFX-HNNXBMFYSA-N 0 3 402.539 4.268 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000521594360 929316662 /nfs/dbraw/zinc/31/66/62/929316662.db2.gz YYMDIBFTOBWJQM-QGZVFWFLSA-N 0 3 401.551 4.027 20 30 HIEDHN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000525248521 930105124 /nfs/dbraw/zinc/10/51/24/930105124.db2.gz MALZSXHAMMAPIW-GJZGRUSLSA-N 0 3 405.420 4.413 20 30 HIEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000532690173 931586288 /nfs/dbraw/zinc/58/62/88/931586288.db2.gz HEUZOSKZSAJKSQ-OAQYLSRUSA-N 0 3 409.533 4.437 20 30 HIEDHN COc1cc(C#N)ccc1OCCN(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000533045940 931751160 /nfs/dbraw/zinc/75/11/60/931751160.db2.gz XEQORHQJHHOSHI-UHFFFAOYSA-N 0 3 405.473 4.225 20 30 HIEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047256 931752174 /nfs/dbraw/zinc/75/21/74/931752174.db2.gz HPJUHOKUFBYZPF-GOSISDBHSA-N 0 3 422.460 4.014 20 30 HIEDHN Cc1cc([C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000533967692 932141878 /nfs/dbraw/zinc/14/18/78/932141878.db2.gz SDXHRUGIKWSXKR-HSZRJFAPSA-N 0 3 408.521 4.230 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000534757091 932734808 /nfs/dbraw/zinc/73/48/08/932734808.db2.gz UDYZEZACAXYKQI-NOZRDPDXSA-N 0 3 411.505 4.312 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)CC1 ZINC000535309376 933064279 /nfs/dbraw/zinc/06/42/79/933064279.db2.gz QXEOCDYDQXOGJR-SFHVURJKSA-N 0 3 405.542 4.127 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000535466569 933156421 /nfs/dbraw/zinc/15/64/21/933156421.db2.gz SZRHWBGCYOQDOT-LOSJGSFVSA-N 0 3 411.505 4.312 20 30 HIEDHN COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629391 933273860 /nfs/dbraw/zinc/27/38/60/933273860.db2.gz ZOTDJCDQDSZXAB-OALUTQOASA-N 0 3 411.521 4.280 20 30 HIEDHN C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000538113281 938505572 /nfs/dbraw/zinc/50/55/72/938505572.db2.gz CSHFLPYJNUGYMG-GOSISDBHSA-N 0 3 419.550 4.326 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000538191355 938546354 /nfs/dbraw/zinc/54/63/54/938546354.db2.gz SPBNQOXIUUBZJJ-LYHRCORUSA-N 0 3 409.555 4.387 20 30 HIEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000538259618 938577079 /nfs/dbraw/zinc/57/70/79/938577079.db2.gz JHJQGCKETNXHCT-QHCPKHFHSA-N 0 3 405.542 4.161 20 30 HIEDHN Cc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cc1 ZINC000539234979 938822901 /nfs/dbraw/zinc/82/29/01/938822901.db2.gz YCJNKHKRMAJMRF-QUCCMNQESA-N 0 3 420.557 4.015 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304755 938837604 /nfs/dbraw/zinc/83/76/04/938837604.db2.gz WBBJOXVKYGMZJJ-YTZAWJCFSA-N 0 3 411.521 4.498 20 30 HIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)o2)c1 ZINC000539763010 938928138 /nfs/dbraw/zinc/92/81/38/938928138.db2.gz FJRKDZBZJMONEB-IBGZPJMESA-N 0 3 417.517 4.154 20 30 HIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)o2)c1 ZINC000539763010 938928139 /nfs/dbraw/zinc/92/81/39/938928139.db2.gz FJRKDZBZJMONEB-IBGZPJMESA-N 0 3 417.517 4.154 20 30 HIEDHN CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000540273563 939179517 /nfs/dbraw/zinc/17/95/17/939179517.db2.gz PCTBPPBHIIKZCH-UHFFFAOYSA-N 0 3 410.949 4.409 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000540476630 939268363 /nfs/dbraw/zinc/26/83/63/939268363.db2.gz IPRZQTYLDVMRJG-WOJBJXKFSA-N 0 3 420.557 4.281 20 30 HIEDHN C[C@@H]1C[C@H]1[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522555 939286920 /nfs/dbraw/zinc/28/69/20/939286920.db2.gz WGWYNQXJVLHNKX-QPJICYPMSA-N 0 3 419.916 4.323 20 30 HIEDHN C[C@@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000540596106 939315036 /nfs/dbraw/zinc/31/50/36/939315036.db2.gz NWESBILUEZXMHR-GOSISDBHSA-N 0 3 416.525 4.164 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027754 939434824 /nfs/dbraw/zinc/43/48/24/939434824.db2.gz KUJQOBCYDZTBEI-GIIQAUJJSA-N 0 3 407.562 4.151 20 30 HIEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541598674 939563440 /nfs/dbraw/zinc/56/34/40/939563440.db2.gz AERSFVGYJRPMHE-FQEVSTJZSA-N 0 3 419.916 4.416 20 30 HIEDHN Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000542529851 939838139 /nfs/dbraw/zinc/83/81/39/939838139.db2.gz VNYPNUMDZSIEJL-HXUWFJFHSA-N 0 3 419.916 4.416 20 30 HIEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549326475 941180293 /nfs/dbraw/zinc/18/02/93/941180293.db2.gz PNYNZQZDMKGROM-PMACEKPBSA-N 0 3 415.626 4.228 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268128 941618172 /nfs/dbraw/zinc/61/81/72/941618172.db2.gz AHGNLIPYSQROQE-HFGNEKBZSA-N 0 3 405.542 4.263 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268132 941618244 /nfs/dbraw/zinc/61/82/44/941618244.db2.gz AHGNLIPYSQROQE-WDWDUUAGSA-N 0 3 405.542 4.263 20 30 HIEDHN C[C@H]1CCc2c(sc3nc(CCN(Cc4ccc(C#N)cc4)C4CC4)nc(N)c23)C1 ZINC000554351347 942109916 /nfs/dbraw/zinc/10/99/16/942109916.db2.gz DVVSMTQDPXILEJ-HNNXBMFYSA-N 0 3 417.582 4.477 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878556 942948106 /nfs/dbraw/zinc/94/81/06/942948106.db2.gz YSYINKGYCOWVKO-VDKIKQQVSA-N 0 3 419.569 4.491 20 30 HIEDHN C[C@@H](N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000556883942 942950284 /nfs/dbraw/zinc/95/02/84/942950284.db2.gz IKHUEKBKFXMZGL-URZJWIJPSA-N 0 3 413.468 4.190 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)[C@@H](C)c2ccncc2)c1C#N ZINC000556974729 942986355 /nfs/dbraw/zinc/98/63/55/942986355.db2.gz IWGNKSHHAYRISP-SFHVURJKSA-N 0 3 405.502 4.035 20 30 HIEDHN CCN1CC[C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558902087 943736414 /nfs/dbraw/zinc/73/64/14/943736414.db2.gz MGEALVDNMSQOIY-OREJSRFESA-N 0 3 414.912 4.103 20 30 HIEDHN N#CC(C(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000561978157 944884282 /nfs/dbraw/zinc/88/42/82/944884282.db2.gz FUAXLDJFLCLMMP-LBPRGKRZSA-N 0 3 421.363 4.040 20 30 HIEDHN N#CC1(CCCN(CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CCOCC1 ZINC000564152121 945403161 /nfs/dbraw/zinc/40/31/61/945403161.db2.gz MADLWELFTWEXCX-SFHVURJKSA-N 0 3 418.887 4.208 20 30 HIEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2cc(C#N)cs2)CC1 ZINC000564590786 945691534 /nfs/dbraw/zinc/69/15/34/945691534.db2.gz GIBLFXPGONJZIO-UHFFFAOYSA-N 0 3 418.360 4.119 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265025 945796340 /nfs/dbraw/zinc/79/63/40/945796340.db2.gz NGGRVWOTLUFTCN-OXJNMPFZSA-N 0 3 407.470 4.182 20 30 HIEDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038985 945988537 /nfs/dbraw/zinc/98/85/37/945988537.db2.gz UMGAWZAALZPTDJ-FDDCHVKYSA-N 0 3 421.516 4.145 20 30 HIEDHN C=CCn1c(C2CCC2)nnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000567795481 946413001 /nfs/dbraw/zinc/41/30/01/946413001.db2.gz AARJNJKHXQPONN-UHFFFAOYSA-N 0 3 419.495 4.463 20 30 HIEDHN N#CCCCOc1cccc(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000569626061 946899031 /nfs/dbraw/zinc/89/90/31/946899031.db2.gz SXVVZYDGWKIRQD-IBGZPJMESA-N 0 3 405.420 4.436 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(F)(F)F)cn1 ZINC000570648213 947321345 /nfs/dbraw/zinc/32/13/45/947321345.db2.gz KUIIJEUBDZYBHO-UHFFFAOYSA-N 0 3 411.497 4.199 20 30 HIEDHN CN1CC[C@H](NCc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573142562 948087123 /nfs/dbraw/zinc/08/71/23/948087123.db2.gz ARYBCZSLWITYCQ-HKUYNNGSSA-N 0 3 409.839 4.487 20 30 HIEDHN N#Cc1ccccc1CNC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000573821446 948302299 /nfs/dbraw/zinc/30/22/99/948302299.db2.gz XNJUOOBKPCRGFT-UHFFFAOYSA-N 0 3 403.295 4.341 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccccc1 ZINC000574006528 948348809 /nfs/dbraw/zinc/34/88/09/948348809.db2.gz SUUNPIRDSQUYRP-DHIUTWEWSA-N 0 3 413.481 4.312 20 30 HIEDHN Cc1c(Cl)c(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900527 721520554 /nfs/dbraw/zinc/52/05/54/721520554.db2.gz RVZVPCAJPAXLPE-GDBMZVCRSA-N 0 3 421.303 4.050 20 30 HIEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909894 721551757 /nfs/dbraw/zinc/55/17/57/721551757.db2.gz VDLGEOZVZMWZSK-FUHWJXTLSA-N 0 3 422.891 4.241 20 30 HIEDHN N#Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164907787 721724294 /nfs/dbraw/zinc/72/42/94/721724294.db2.gz UBZCCYIEUPZOEK-QHCPKHFHSA-N 0 3 419.479 4.239 20 30 HIEDHN CC(C)Oc1cccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000046654088 848900273 /nfs/dbraw/zinc/90/02/73/848900273.db2.gz ATCXYQMWRJSSJJ-LJQANCHMSA-N 0 3 408.546 4.180 20 30 HIEDHN N#Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)ccc1OCC(F)(F)F ZINC000050032899 849343739 /nfs/dbraw/zinc/34/37/39/849343739.db2.gz WUIYANYERHYITH-UHFFFAOYSA-N 0 3 403.404 4.347 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000060576018 851153707 /nfs/dbraw/zinc/15/37/07/851153707.db2.gz UVNDLOYHSYTEIS-UHFFFAOYSA-N 0 3 404.341 4.388 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000062407215 851543796 /nfs/dbraw/zinc/54/37/96/851543796.db2.gz XMZMNVJJZUJXMF-UHFFFAOYSA-N 0 3 416.472 4.219 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CC3CCCCC3)CC2)c1 ZINC000064130041 851833509 /nfs/dbraw/zinc/83/35/09/851833509.db2.gz OBAHIGKHIXJQLV-JOCHJYFZSA-N 0 3 410.606 4.137 20 30 HIEDHN C=CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000065936944 852324884 /nfs/dbraw/zinc/32/48/84/852324884.db2.gz GVJRVDUYODWFTL-UHFFFAOYSA-N 0 3 416.949 4.290 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000097357857 852604488 /nfs/dbraw/zinc/60/44/88/852604488.db2.gz HEFMTMQSKNFSGC-GOSISDBHSA-N 0 3 421.488 4.255 20 30 HIEDHN N#Cc1c(NC(=O)CCN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000105422278 852704271 /nfs/dbraw/zinc/70/42/71/852704271.db2.gz HTOKXJYWSHPUJW-HNNXBMFYSA-N 0 3 415.584 4.180 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000437215214 862406120 /nfs/dbraw/zinc/40/61/20/862406120.db2.gz JKGYJPVHNVYVMM-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NCc2ccccc2N2CCN(CC)CC2)cc1 ZINC000437240440 862452922 /nfs/dbraw/zinc/45/29/22/862452922.db2.gz PXEHJGXPDRMXLL-UHFFFAOYSA-N 0 3 418.585 4.255 20 30 HIEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000138691328 853394082 /nfs/dbraw/zinc/39/40/82/853394082.db2.gz ULYLZYCRJKGCDA-OAQYLSRUSA-N 0 3 414.461 4.386 20 30 HIEDHN CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3OC)n2)cc1 ZINC000138696333 853394681 /nfs/dbraw/zinc/39/46/81/853394681.db2.gz TWBLWXPHSQVHIO-QGZVFWFLSA-N 0 3 405.479 4.342 20 30 HIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 ZINC000138696333 853394688 /nfs/dbraw/zinc/39/46/88/853394688.db2.gz TWBLWXPHSQVHIO-QGZVFWFLSA-N 0 3 405.479 4.342 20 30 HIEDHN CC(=O)c1cccc(OCCCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000138738341 853395135 /nfs/dbraw/zinc/39/51/35/853395135.db2.gz SHWJVBBZODHFAB-KRWDZBQOSA-N 0 3 416.836 4.188 20 30 HIEDHN CC(=O)c1cccc(OCCCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000138738221 853395434 /nfs/dbraw/zinc/39/54/34/853395434.db2.gz SHWJVBBZODHFAB-QGZVFWFLSA-N 0 3 416.836 4.188 20 30 HIEDHN CC[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000236952908 853941620 /nfs/dbraw/zinc/94/16/20/853941620.db2.gz GTFIQFAWVSAMAR-NRFANRHFSA-N 0 3 402.498 4.476 20 30 HIEDHN COc1cc(CNCc2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC ZINC000237284435 853997571 /nfs/dbraw/zinc/99/75/71/853997571.db2.gz RSFWIKSROGFUSX-UHFFFAOYSA-N 0 3 418.493 4.453 20 30 HIEDHN C#CCCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237828977 854104477 /nfs/dbraw/zinc/10/44/77/854104477.db2.gz JOVPKQSCTOPVKP-UHFFFAOYSA-N 0 3 418.459 4.234 20 30 HIEDHN N#CCCCOc1cccc(CNCc2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000237970876 854127172 /nfs/dbraw/zinc/12/71/72/854127172.db2.gz ZPGUESIKUVQUDC-UHFFFAOYSA-N 0 3 400.482 4.306 20 30 HIEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(OC)cc1 ZINC000302851903 854656746 /nfs/dbraw/zinc/65/67/46/854656746.db2.gz BCMZESISHANSNY-QFIPXVFZSA-N 0 3 420.513 4.306 20 30 HIEDHN CCOC(=O)c1c(NC(=O)c2cc(C#N)cs2)sc2c1CC(C)(C)NC2(C)C ZINC000437324411 862592113 /nfs/dbraw/zinc/59/21/13/862592113.db2.gz OVTBQBTXRUCMST-UHFFFAOYSA-N 0 3 417.556 4.270 20 30 HIEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000303278785 854848481 /nfs/dbraw/zinc/84/84/81/854848481.db2.gz LQDUGPZEXMJVGZ-UHFFFAOYSA-N 0 3 410.370 4.426 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)CC1 ZINC000303308267 854864158 /nfs/dbraw/zinc/86/41/58/854864158.db2.gz RIWFHZAYSKWFPJ-UHFFFAOYSA-N 0 3 414.962 4.429 20 30 HIEDHN CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303441272 854940185 /nfs/dbraw/zinc/94/01/85/854940185.db2.gz HULNOFPTBRESOC-HSZRJFAPSA-N 0 3 405.542 4.035 20 30 HIEDHN C=CCC[C@@H](CO)NCc1cc(Br)cc(Br)c1OCC ZINC000320270649 855388714 /nfs/dbraw/zinc/38/87/14/855388714.db2.gz LUPPWZHFHRMUSZ-ZDUSSCGKSA-N 0 3 407.146 4.027 20 30 HIEDHN C[C@H]1CN(CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000426394648 856273487 /nfs/dbraw/zinc/27/34/87/856273487.db2.gz KAQAMASZPDYPGF-HOTGVXAUSA-N 0 3 414.500 4.100 20 30 HIEDHN COc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429004140 857452850 /nfs/dbraw/zinc/45/28/50/857452850.db2.gz IVYAQLJJOZUKLS-HSZRJFAPSA-N 0 3 406.526 4.394 20 30 HIEDHN N#CCCC[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901798 858862736 /nfs/dbraw/zinc/86/27/36/858862736.db2.gz YHCVPIMGJQONIS-BJKOFHAPSA-N 0 3 420.557 4.012 20 30 HIEDHN Cc1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000433014611 859478625 /nfs/dbraw/zinc/47/86/25/859478625.db2.gz FQMQRCJUTCVMRU-NRFANRHFSA-N 0 3 405.477 4.283 20 30 HIEDHN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433016869 859479539 /nfs/dbraw/zinc/47/95/39/859479539.db2.gz VHCJOUWHJJBYQM-DHIUTWEWSA-N 0 3 421.541 4.392 20 30 HIEDHN CN(Cc1ccccc1Br)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433015602 859479682 /nfs/dbraw/zinc/47/96/82/859479682.db2.gz KYPNYJCAJKPKHD-FQEVSTJZSA-N 0 3 414.347 4.432 20 30 HIEDHN COc1ccccc1-c1noc(C2CCN(CCCOc3cccc(C#N)c3)CC2)n1 ZINC000433165719 859549211 /nfs/dbraw/zinc/54/92/11/859549211.db2.gz VRHZDJBRIAVMGE-UHFFFAOYSA-N 0 3 418.497 4.265 20 30 HIEDHN COc1cc(CN2CCC(n3ccc(C)n3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000434492125 860371928 /nfs/dbraw/zinc/37/19/28/860371928.db2.gz FUFLDXUEAJYVDU-UHFFFAOYSA-N 0 3 416.525 4.488 20 30 HIEDHN N#CCCn1cc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000435126240 860652819 /nfs/dbraw/zinc/65/28/19/860652819.db2.gz KRJKJXZZNCTNKC-OAQYLSRUSA-N 0 3 407.905 4.165 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435180471 860682025 /nfs/dbraw/zinc/68/20/25/860682025.db2.gz GSJOHNBYWLBIOV-CQSZACIVSA-N 0 3 416.513 4.091 20 30 HIEDHN N#CCCCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc21 ZINC000435614333 860916547 /nfs/dbraw/zinc/91/65/47/860916547.db2.gz FHHWMGPHZRPXGV-OAQYLSRUSA-N 0 3 400.526 4.339 20 30 HIEDHN COc1ccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)N2CCCC2)cc1 ZINC000438850246 864345547 /nfs/dbraw/zinc/34/55/47/864345547.db2.gz USTHHLQQCAAKGJ-DHIUTWEWSA-N 0 3 406.530 4.176 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000439127639 864562896 /nfs/dbraw/zinc/56/28/96/864562896.db2.gz BXDRZCVBYJJICY-HSZRJFAPSA-N 0 3 405.546 4.304 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 ZINC000468064605 881883189 /nfs/dbraw/zinc/88/31/89/881883189.db2.gz KQWQLWIGIQYDLW-LJQANCHMSA-N 0 3 424.614 4.255 20 30 HIEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)CC1 ZINC000442304346 867315405 /nfs/dbraw/zinc/31/54/05/867315405.db2.gz MOGCIOMHHRPWLZ-UHFFFAOYSA-N 0 3 415.603 4.125 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc(NC(C)=O)c1OC ZINC000442673280 867608756 /nfs/dbraw/zinc/60/87/56/867608756.db2.gz TTXJJQIEOIVABY-INIZCTEOSA-N 0 3 421.478 4.276 20 30 HIEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000443672754 868278157 /nfs/dbraw/zinc/27/81/57/868278157.db2.gz HGXYOBKJURUNMX-RTBURBONSA-N 0 3 423.582 4.329 20 30 HIEDHN COc1ccc(CN2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000461460932 874521009 /nfs/dbraw/zinc/52/10/09/874521009.db2.gz QINVPVBDXIOTIC-UHFFFAOYSA-N 0 3 406.917 4.481 20 30 HIEDHN N#C[C@@H]1CCC[C@H]1NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952175 875082714 /nfs/dbraw/zinc/08/27/14/875082714.db2.gz ZVHISGRDXNKOQQ-QFBILLFUSA-N 0 3 409.361 4.293 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468996658 883062534 /nfs/dbraw/zinc/06/25/34/883062534.db2.gz PCCOJIWLPJMLHY-UHFFFAOYSA-N 0 3 406.505 4.288 20 30 HIEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCSCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464478573 877699693 /nfs/dbraw/zinc/69/96/93/877699693.db2.gz UZWXSZGEDXHSIT-KRWDZBQOSA-N 0 3 405.445 4.139 20 30 HIEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464850899 878127438 /nfs/dbraw/zinc/12/74/38/878127438.db2.gz PIMCZKHIYVSDGC-SFTDATJTSA-N 0 3 422.548 4.057 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000466278340 880017196 /nfs/dbraw/zinc/01/71/96/880017196.db2.gz CNNYMZHOZKEVRW-UHFFFAOYSA-N 0 3 418.928 4.478 20 30 HIEDHN COC(=O)c1ccc(C(C)C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000466708530 880500589 /nfs/dbraw/zinc/50/05/89/880500589.db2.gz SASYHQWDCAZNEY-UHFFFAOYSA-N 0 3 422.529 4.064 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2ccc(F)cc2o1 ZINC000466724551 880511310 /nfs/dbraw/zinc/51/13/10/880511310.db2.gz IVRLMJNXKLLBQK-UHFFFAOYSA-N 0 3 401.511 4.065 20 30 HIEDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000467116672 880873435 /nfs/dbraw/zinc/87/34/35/880873435.db2.gz IVUHRLQNTRLODI-GOSISDBHSA-N 0 3 413.543 4.404 20 30 HIEDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000467116673 880873890 /nfs/dbraw/zinc/87/38/90/880873890.db2.gz IVUHRLQNTRLODI-SFHVURJKSA-N 0 3 413.543 4.404 20 30 HIEDHN CN1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1cccs1 ZINC000469209014 883309193 /nfs/dbraw/zinc/30/91/93/883309193.db2.gz CODWLMLHSVDLJH-UWJYYQICSA-N 0 3 406.511 4.088 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)CC1 ZINC000469283563 883380875 /nfs/dbraw/zinc/38/08/75/883380875.db2.gz SYCXOUXJRYBZRH-GOSISDBHSA-N 0 3 408.571 4.475 20 30 HIEDHN C[C@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1Cc1ccccc1 ZINC000469586831 883825391 /nfs/dbraw/zinc/82/53/91/883825391.db2.gz KVVBERZLQWJCAN-PZJWPPBQSA-N 0 3 400.526 4.338 20 30 HIEDHN N#Cc1ccccc1Oc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1F ZINC000470521058 884911797 /nfs/dbraw/zinc/91/17/97/884911797.db2.gz CEFSSSAMXJMVEC-UHFFFAOYSA-N 0 3 423.488 4.463 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1Br ZINC000471302446 885891554 /nfs/dbraw/zinc/89/15/54/885891554.db2.gz YXDCISIUVPQAKO-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](c1ccccc1)N(C)C ZINC000471578164 886290173 /nfs/dbraw/zinc/29/01/73/886290173.db2.gz OHMALFSLIASSNW-HXOBKFHXSA-N 0 3 403.482 4.151 20 30 HIEDHN C=CCOc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1Cl ZINC000475091618 889939304 /nfs/dbraw/zinc/93/93/04/889939304.db2.gz JUUUDKCLNVAISC-IRXDYDNUSA-N 0 3 409.958 4.406 20 30 HIEDHN N#Cc1cccnc1OC1CCC(NCc2c(F)cccc2Br)CC1 ZINC000475100443 889947495 /nfs/dbraw/zinc/94/74/95/889947495.db2.gz QJAXDDKYZTXCAG-UHFFFAOYSA-N 0 3 404.283 4.335 20 30 HIEDHN CS(=O)(=O)c1cccc([C@H](NCCCOc2cccc(C#N)c2)c2ccccc2)c1 ZINC000477623011 892729324 /nfs/dbraw/zinc/72/93/24/892729324.db2.gz ANNKNHVKRFADEI-XMMPIXPASA-N 0 3 420.534 4.110 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)CC1 ZINC000478614783 893876454 /nfs/dbraw/zinc/87/64/54/893876454.db2.gz JKZIHHFBHBQMMW-FQEVSTJZSA-N 0 3 408.384 4.270 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000478620084 893879588 /nfs/dbraw/zinc/87/95/88/893879588.db2.gz ICEVWFWTUBGAJD-UHFFFAOYSA-N 0 3 409.361 4.357 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458922 894779818 /nfs/dbraw/zinc/77/98/18/894779818.db2.gz UYJGEZRYHXBQAJ-NHCUHLMSSA-N 0 3 424.342 4.089 20 30 HIEDHN C=C(C)[C@H](NC(=O)N(CCN(C)C)Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000479766503 895068861 /nfs/dbraw/zinc/06/88/61/895068861.db2.gz GMKWOMWVFDBVTM-QFIPXVFZSA-N 0 3 417.500 4.364 20 30 HIEDHN CCOc1c(Cl)cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000480016012 895366174 /nfs/dbraw/zinc/36/61/74/895366174.db2.gz IUDWBKBXOPGQGY-UHFFFAOYSA-N 0 3 410.905 4.309 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC000482430561 897988020 /nfs/dbraw/zinc/98/80/20/897988020.db2.gz BGUXJVXQMSKATE-OAHLLOKOSA-N 0 3 409.374 4.258 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000483313698 898942549 /nfs/dbraw/zinc/94/25/49/898942549.db2.gz UNRXILFLRKEDDB-UHFFFAOYSA-N 0 3 406.246 4.240 20 30 HIEDHN C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](c1ccccc1)N(C)C ZINC000505634075 914333668 /nfs/dbraw/zinc/33/36/68/914333668.db2.gz QQGTZPMHCHDMLA-GAJHUEQPSA-N 0 3 403.482 4.151 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000484049774 899681951 /nfs/dbraw/zinc/68/19/51/899681951.db2.gz SXMQXEWOIWILMF-RTBURBONSA-N 0 3 410.484 4.000 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000485334601 900620652 /nfs/dbraw/zinc/62/06/52/900620652.db2.gz XPUODOQGDNHKME-KRWDZBQOSA-N 0 3 414.447 4.126 20 30 HIEDHN C=CCSc1ccccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000485459749 900754167 /nfs/dbraw/zinc/75/41/67/900754167.db2.gz BCPHCMKIPBAQIK-UHFFFAOYSA-N 0 3 409.599 4.297 20 30 HIEDHN Cc1csc(Nc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000485792859 901045750 /nfs/dbraw/zinc/04/57/50/901045750.db2.gz URYJTQJZBGVMMT-UHFFFAOYSA-N 0 3 419.554 4.271 20 30 HIEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000486032184 901235939 /nfs/dbraw/zinc/23/59/39/901235939.db2.gz XDDRMOCYXAEUFF-KRWDZBQOSA-N 0 3 409.603 4.290 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000486469362 901629146 /nfs/dbraw/zinc/62/91/46/901629146.db2.gz OEAVEAVFWAVWRE-OAQYLSRUSA-N 0 3 424.520 4.073 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(-c4cccc(F)c4)s3)C2=O)cc1 ZINC000486900245 901944410 /nfs/dbraw/zinc/94/44/10/901944410.db2.gz JBIHNBHPLNXECC-NRFANRHFSA-N 0 3 405.498 4.317 20 30 HIEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000487401080 902184613 /nfs/dbraw/zinc/18/46/13/902184613.db2.gz VEFKCKYAJQBZQL-GOSISDBHSA-N 0 3 406.448 4.378 20 30 HIEDHN CC(C)CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457153 902833966 /nfs/dbraw/zinc/83/39/66/902833966.db2.gz AAQNJVQDUUITDL-CYFREDJKSA-N 0 3 405.542 4.435 20 30 HIEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466940 902839902 /nfs/dbraw/zinc/83/99/02/902839902.db2.gz MPAMDOHBTXCAMW-YWZLYKJASA-N 0 3 415.509 4.367 20 30 HIEDHN N#Cc1c(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc2c1CCCC2 ZINC000490829559 904273935 /nfs/dbraw/zinc/27/39/35/904273935.db2.gz VASGKYXTSUDNNE-UHFFFAOYSA-N 0 3 424.526 4.400 20 30 HIEDHN Cn1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491892759 904722373 /nfs/dbraw/zinc/72/23/73/904722373.db2.gz SCFFFXUVRDOAQD-OAQYLSRUSA-N 0 3 400.482 4.067 20 30 HIEDHN CCN(Cc1cc(C#N)ccc1Br)CC1CCN(c2ccccn2)CC1 ZINC000492777708 904902433 /nfs/dbraw/zinc/90/24/33/904902433.db2.gz YWXWDQARVIQWSA-UHFFFAOYSA-N 0 3 413.363 4.454 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000506267352 914873143 /nfs/dbraw/zinc/87/31/43/914873143.db2.gz ILNRXLJJLRDCNH-UHFFFAOYSA-N 0 3 412.537 4.240 20 30 HIEDHN C=CCOc1ccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000512566685 921240910 /nfs/dbraw/zinc/24/09/10/921240910.db2.gz YTIDNKNTAQMMEK-UHFFFAOYSA-N 0 3 405.498 4.103 20 30 HIEDHN CS[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@H]1N(C)C ZINC000495566863 906505688 /nfs/dbraw/zinc/50/56/88/906505688.db2.gz ZWKOUIVQDZMCFP-YLJYHZDGSA-N 0 3 415.946 4.122 20 30 HIEDHN CS[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H]1N(C)C ZINC000495566860 906506003 /nfs/dbraw/zinc/50/60/03/906506003.db2.gz ZWKOUIVQDZMCFP-FXAWDEMLSA-N 0 3 415.946 4.122 20 30 HIEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2ccccc2)N(C)C)cc1C ZINC000497378933 906867415 /nfs/dbraw/zinc/86/74/15/906867415.db2.gz QYYNRUNUDVIQHN-HSZRJFAPSA-N 0 3 415.541 4.113 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512769467 921304577 /nfs/dbraw/zinc/30/45/77/921304577.db2.gz VBFMCXBKUQKLMC-GOSISDBHSA-N 0 3 404.514 4.218 20 30 HIEDHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811426 921316869 /nfs/dbraw/zinc/31/68/69/921316869.db2.gz GEWUACGLSZJSKX-IBGZPJMESA-N 0 3 412.505 4.104 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1OC ZINC000513037615 921496472 /nfs/dbraw/zinc/49/64/72/921496472.db2.gz UIHWJGUCAQYNJZ-OAQYLSRUSA-N 0 3 408.542 4.292 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000500742107 910053280 /nfs/dbraw/zinc/05/32/80/910053280.db2.gz HIOXULPFRRDNIK-OAQYLSRUSA-N 0 3 402.897 4.366 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318560 911291287 /nfs/dbraw/zinc/29/12/87/911291287.db2.gz DUGMRFZQYDCSBF-NTKDMRAZSA-N 0 3 400.526 4.192 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)o1 ZINC000513265724 921668110 /nfs/dbraw/zinc/66/81/10/921668110.db2.gz DYICYNNSNBINGE-OAQYLSRUSA-N 0 3 415.493 4.125 20 30 HIEDHN N#Cc1ccc(C2=CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000502530424 911534841 /nfs/dbraw/zinc/53/48/41/911534841.db2.gz RMILGPKCBANTFW-UHFFFAOYSA-N 0 3 400.438 4.453 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000506295204 914890807 /nfs/dbraw/zinc/89/08/07/914890807.db2.gz OQQKFCSYKYZSEW-UHFFFAOYSA-N 0 3 405.933 4.105 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000506465196 915062194 /nfs/dbraw/zinc/06/21/94/915062194.db2.gz VGNFOQHWPSCKSS-UHFFFAOYSA-N 0 3 412.397 4.225 20 30 HIEDHN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670040 915344317 /nfs/dbraw/zinc/34/43/17/915344317.db2.gz SDMKGONUQRRVMG-OXJNMPFZSA-N 0 3 413.493 4.219 20 30 HIEDHN CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439908 916208336 /nfs/dbraw/zinc/20/83/36/916208336.db2.gz HDHMGXPBZMZAMP-JPYJTQIMSA-N 0 3 418.541 4.184 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508950230 917706798 /nfs/dbraw/zinc/70/67/98/917706798.db2.gz MWYHYUMINOQMDG-UHFFFAOYSA-N 0 3 417.534 4.383 20 30 HIEDHN CC(C)(C(=O)N1CCCN(CCCc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000509186723 917894869 /nfs/dbraw/zinc/89/48/69/917894869.db2.gz SMZMVKSKXQZHHS-UHFFFAOYSA-N 0 3 407.533 4.142 20 30 HIEDHN C=CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000509526235 918173550 /nfs/dbraw/zinc/17/35/50/918173550.db2.gz MORHNXLEERARNN-UHFFFAOYSA-N 0 3 400.906 4.461 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1OC ZINC000509576569 918226556 /nfs/dbraw/zinc/22/65/56/918226556.db2.gz WQOLDKSZCFVWHL-IBGZPJMESA-N 0 3 400.563 4.121 20 30 HIEDHN COc1ccccc1NC(=O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000509586930 918234858 /nfs/dbraw/zinc/23/48/58/918234858.db2.gz UPMXMIOGORGDFR-UHFFFAOYSA-N 0 3 407.514 4.228 20 30 HIEDHN CN(C)[C@@H](CNC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 ZINC000510200392 918751333 /nfs/dbraw/zinc/75/13/33/918751333.db2.gz SDDKYFNSTJFWKM-QFIPXVFZSA-N 0 3 416.550 4.131 20 30 HIEDHN N#CC(CCN1CC[C@H](C(F)(F)F)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658314 920322914 /nfs/dbraw/zinc/32/29/14/920322914.db2.gz XGOSGHZXSTVFJS-RXVVDRJESA-N 0 3 402.460 4.379 20 30 HIEDHN N#CCCn1cc(C(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c2ccccc21 ZINC000511782159 920473431 /nfs/dbraw/zinc/47/34/31/920473431.db2.gz XEWBHLKLDQMIJI-GZGNHOFSSA-N 0 3 413.521 4.242 20 30 HIEDHN CCN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513751142 922070564 /nfs/dbraw/zinc/07/05/64/922070564.db2.gz XRGIVKIXMUARIM-UHFFFAOYSA-N 0 3 415.541 4.188 20 30 HIEDHN N#Cc1ccccc1OC1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000518957724 927657998 /nfs/dbraw/zinc/65/79/98/927657998.db2.gz UZMJMZLAMYYIET-UHFFFAOYSA-N 0 3 403.526 4.274 20 30 HIEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000519202405 927825525 /nfs/dbraw/zinc/82/55/25/927825525.db2.gz PLJSLMMDVKGEHE-QGZVFWFLSA-N 0 3 421.324 4.148 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)N(C)C)cc1 ZINC000520055386 928281133 /nfs/dbraw/zinc/28/11/33/928281133.db2.gz NGWPQTMBRRVJEU-NRFANRHFSA-N 0 3 419.554 4.338 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 ZINC000520686895 928735960 /nfs/dbraw/zinc/73/59/60/928735960.db2.gz MGFHTTFULGWJQI-UHFFFAOYSA-N 0 3 418.463 4.149 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CC1 ZINC000520697740 928745167 /nfs/dbraw/zinc/74/51/67/928745167.db2.gz PEIXOVXLAMUHRB-IBGZPJMESA-N 0 3 412.578 4.172 20 30 HIEDHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000521072008 928973157 /nfs/dbraw/zinc/97/31/57/928973157.db2.gz IYSZODMVXKJIKN-UHFFFAOYSA-N 0 3 424.548 4.022 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000521587034 929313197 /nfs/dbraw/zinc/31/31/97/929313197.db2.gz ZPVZUGILZPZXHN-UHFFFAOYSA-N 0 3 406.368 4.164 20 30 HIEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCc2ccccc21 ZINC000521819988 929478280 /nfs/dbraw/zinc/47/82/80/929478280.db2.gz PXLGHVPVNPLMDL-QHCPKHFHSA-N 0 3 422.573 4.351 20 30 HIEDHN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000525409574 930224091 /nfs/dbraw/zinc/22/40/91/930224091.db2.gz DOJMYTDVCYVSJH-CEWLAPEOSA-N 0 3 403.954 4.112 20 30 HIEDHN C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952193 930492459 /nfs/dbraw/zinc/49/24/59/930492459.db2.gz NWZPCQPAQNBJMV-FUHWJXTLSA-N 0 3 424.595 4.022 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000530515692 930734332 /nfs/dbraw/zinc/73/43/32/930734332.db2.gz KFBHIPIITCUYOM-PKOBYXMFSA-N 0 3 418.419 4.066 20 30 HIEDHN N#CC(C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc2ccccc2n1C(F)F ZINC000531438683 931057724 /nfs/dbraw/zinc/05/77/24/931057724.db2.gz NRDRCGBXMOVWNC-MRXNPFEDSA-N 0 3 422.366 4.211 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)CC1 ZINC000532811870 931636038 /nfs/dbraw/zinc/63/60/38/931636038.db2.gz LIBHOPOUKHVJDZ-UHFFFAOYSA-N 0 3 401.532 4.240 20 30 HIEDHN C=CCOc1cccc(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000533201232 931807603 /nfs/dbraw/zinc/80/76/03/931807603.db2.gz OZGDJRMQJNMRQL-UHFFFAOYSA-N 0 3 417.347 4.140 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000533975927 932153654 /nfs/dbraw/zinc/15/36/54/932153654.db2.gz VMLWIKARSZRFFC-UHFFFAOYSA-N 0 3 418.994 4.346 20 30 HIEDHN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCCC13CCCCC3)CCCC2 ZINC000533992975 932171076 /nfs/dbraw/zinc/17/10/76/932171076.db2.gz OYBIXTHTSXALGB-IBGZPJMESA-N 0 3 424.589 4.155 20 30 HIEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000534924989 932841221 /nfs/dbraw/zinc/84/12/21/932841221.db2.gz FGVJFFUIMPCVCR-UHFFFAOYSA-N 0 3 414.509 4.211 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)[C@H](C)c2cccnc2)c1C#N ZINC000537900742 938404951 /nfs/dbraw/zinc/40/49/51/938404951.db2.gz SAQRBVXSHAHCOM-GOSISDBHSA-N 0 3 405.502 4.035 20 30 HIEDHN COc1ccc([C@@H](NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000538143915 938519450 /nfs/dbraw/zinc/51/94/50/938519450.db2.gz KTKMHNXSXBIKLP-QFIPXVFZSA-N 0 3 418.459 4.169 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000538159816 938529107 /nfs/dbraw/zinc/52/91/07/938529107.db2.gz IGJOGTXBESVQPE-FQEVSTJZSA-N 0 3 401.514 4.087 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266927 938578917 /nfs/dbraw/zinc/57/89/17/938578917.db2.gz RRDUNQQAUPNAGY-HUUCEWRRSA-N 0 3 407.905 4.384 20 30 HIEDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000539268439 938830422 /nfs/dbraw/zinc/83/04/22/938830422.db2.gz OHMSQPNNUYDRIY-ZDUSSCGKSA-N 0 3 401.507 4.326 20 30 HIEDHN C[C@@H]1C[C@H]1[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522556 939286649 /nfs/dbraw/zinc/28/66/49/939286649.db2.gz WGWYNQXJVLHNKX-RBQRDFNRSA-N 0 3 419.916 4.323 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026936 939434040 /nfs/dbraw/zinc/43/40/40/939434040.db2.gz JJEPHLQQBRGOHS-ZWKOTPCHSA-N 0 3 419.504 4.306 20 30 HIEDHN CN(C)[C@@H](CNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000541074704 939451339 /nfs/dbraw/zinc/45/13/39/939451339.db2.gz ZMAUDZQHBPFLMG-SFHVURJKSA-N 0 3 407.461 4.088 20 30 HIEDHN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000541701670 939609246 /nfs/dbraw/zinc/60/92/46/939609246.db2.gz VQKYKJBQSSLHRL-OAHLLOKOSA-N 0 3 400.935 4.375 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000542005016 939681359 /nfs/dbraw/zinc/68/13/59/939681359.db2.gz ILSYVGQEQQEVJG-UHFFFAOYSA-N 0 3 421.954 4.346 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809964 940193317 /nfs/dbraw/zinc/19/33/17/940193317.db2.gz SZKTYOOEDSOLEX-HUUCEWRRSA-N 0 3 419.554 4.280 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC[C@@](O)(C(F)(F)F)CC3)c2)c1 ZINC000563839792 945310035 /nfs/dbraw/zinc/31/00/35/945310035.db2.gz CBAPARLYGBXHSI-NRFANRHFSA-N 0 3 404.432 4.417 20 30 HIEDHN N#CC(C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccncn1 ZINC000545447056 940570408 /nfs/dbraw/zinc/57/04/08/940570408.db2.gz CECPJWHPKIBALC-MRXNPFEDSA-N 0 3 408.255 4.308 20 30 HIEDHN N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000547984520 941081883 /nfs/dbraw/zinc/08/18/83/941081883.db2.gz LLSFUDOZKVSYLW-IBGZPJMESA-N 0 3 405.889 4.107 20 30 HIEDHN N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000552114582 941588068 /nfs/dbraw/zinc/58/80/68/941588068.db2.gz QTQDLEPDSZYFSF-SFHVURJKSA-N 0 3 405.889 4.107 20 30 HIEDHN CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)CC1 ZINC000552125168 941589898 /nfs/dbraw/zinc/58/98/98/941589898.db2.gz MAXSRUFGUACXMQ-UHFFFAOYSA-N 0 3 408.521 4.144 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268130 941618268 /nfs/dbraw/zinc/61/82/68/941618268.db2.gz AHGNLIPYSQROQE-IVGWJTKZSA-N 0 3 405.542 4.263 20 30 HIEDHN N#CCC[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386036 941877645 /nfs/dbraw/zinc/87/76/45/941877645.db2.gz NEDAQLRKXRQZJO-SJLPKXTDSA-N 0 3 423.738 4.477 20 30 HIEDHN C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](c1ccccc1)N(C)C ZINC000554072970 942030056 /nfs/dbraw/zinc/03/00/56/942030056.db2.gz HORASRRYYTUVBD-IIBYNOLFSA-N 0 3 419.554 4.418 20 30 HIEDHN COc1cccc([C@H]2[C@@H](NCc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131122 942395532 /nfs/dbraw/zinc/39/55/32/942395532.db2.gz ZIIXNGYSQRTNLP-UNMCSNQZSA-N 0 3 413.468 4.236 20 30 HIEDHN N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000557062467 943009707 /nfs/dbraw/zinc/00/97/07/943009707.db2.gz WFANVLZNUZYOBH-LJQANCHMSA-N 0 3 410.468 4.228 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000557845637 943311142 /nfs/dbraw/zinc/31/11/42/943311142.db2.gz LWIFHCCYAHWWJK-OAQYLSRUSA-N 0 3 405.970 4.147 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000558332688 943511239 /nfs/dbraw/zinc/51/12/39/943511239.db2.gz UMDOIQZFCSTPHI-JOCHJYFZSA-N 0 3 424.520 4.064 20 30 HIEDHN Cc1cnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc1-c1ccccc1F ZINC000558890713 943723038 /nfs/dbraw/zinc/72/30/38/943723038.db2.gz YHUITUZAYBTOOB-UHFFFAOYSA-N 0 3 401.489 4.175 20 30 HIEDHN C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000562024741 944900458 /nfs/dbraw/zinc/90/04/58/944900458.db2.gz MXHIRFIOYYXSBE-XMSQKQJNSA-N 0 3 417.557 4.430 20 30 HIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(-c4ncon4)cc3)n2)cc1 ZINC000564239262 945454980 /nfs/dbraw/zinc/45/49/80/945454980.db2.gz ZCACULZEPRJTAZ-QGZVFWFLSA-N 0 3 401.451 4.414 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564393521 945552621 /nfs/dbraw/zinc/55/26/21/945552621.db2.gz NMXGGKLWEKFWFR-DHJUGAMNSA-N 0 3 408.571 4.054 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564393524 945552902 /nfs/dbraw/zinc/55/29/02/945552902.db2.gz NMXGGKLWEKFWFR-LLBVYWAGSA-N 0 3 408.571 4.054 20 30 HIEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000567088033 946239248 /nfs/dbraw/zinc/23/92/48/946239248.db2.gz SOENQEQSSIVOAP-OAHLLOKOSA-N 0 3 418.337 4.125 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC(N4CCCCC4=O)CC3)c2)c1 ZINC000567186124 946264274 /nfs/dbraw/zinc/26/42/74/946264274.db2.gz DVVDWIPMZFIWTL-UHFFFAOYSA-N 0 3 403.526 4.114 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000567410826 946329086 /nfs/dbraw/zinc/32/90/86/946329086.db2.gz IQZCPNAUZZNWPR-UHFFFAOYSA-N 0 3 422.573 4.147 20 30 HIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000568331465 946513037 /nfs/dbraw/zinc/51/30/37/946513037.db2.gz ASKXJQDLMSHTTR-LJQANCHMSA-N 0 3 400.567 4.310 20 30 HIEDHN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000569112975 946817956 /nfs/dbraw/zinc/81/79/56/946817956.db2.gz VNGQCLYKXRPXIG-NRFANRHFSA-N 0 3 403.534 4.316 20 30 HIEDHN COc1ccc([C@@H](CNc2cccc(Br)c2C#N)N(C)C)cc1OC ZINC000570493269 947267285 /nfs/dbraw/zinc/26/72/85/947267285.db2.gz KKXMISKXKGIHJJ-QGZVFWFLSA-N 0 3 404.308 4.053 20 30 HIEDHN C=CCOc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1OC ZINC000571841719 947801726 /nfs/dbraw/zinc/80/17/26/947801726.db2.gz JUOZDAYYATVJKV-MRXNPFEDSA-N 0 3 409.452 4.392 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986777 947826172 /nfs/dbraw/zinc/82/61/72/947826172.db2.gz QOIJYLWPKQSBNC-GONLTWLXSA-N 0 3 423.532 4.402 20 30 HIEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903125 721554813 /nfs/dbraw/zinc/55/48/13/721554813.db2.gz ARZMSLQVLCPVMZ-UYAOXDASSA-N 0 3 420.513 4.163 20 30 HIEDHN N#Cc1ccc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908506 721699813 /nfs/dbraw/zinc/69/98/13/721699813.db2.gz ZOTXHCBNSQLZKW-QHCPKHFHSA-N 0 3 419.479 4.239 20 30 HIEDHN COc1cc(CN(C)[C@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000436256022 861567307 /nfs/dbraw/zinc/56/73/07/861567307.db2.gz ZJADWJLXKXXKSV-HSZRJFAPSA-N 0 3 402.494 4.311 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000436332661 861638414 /nfs/dbraw/zinc/63/84/14/861638414.db2.gz PLLQEKCDZCJDJX-GMKZXUHWSA-N 0 3 405.517 4.336 20 30 HIEDHN Cc1ccccc1[C@@H](OC[C@H](O)CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000027208184 847266211 /nfs/dbraw/zinc/26/62/11/847266211.db2.gz OLZZEWNCDIWWBL-RSXGOPAZSA-N 0 3 400.522 4.466 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Br)s1 ZINC000028885074 847471937 /nfs/dbraw/zinc/47/19/37/847471937.db2.gz KIYYZOLQGVRCBU-UHFFFAOYSA-N 0 3 424.389 4.393 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccsc1 ZINC000029415110 847559855 /nfs/dbraw/zinc/55/98/55/847559855.db2.gz ZCKPBXNYHYPPLF-IBGZPJMESA-N 0 3 414.600 4.427 20 30 HIEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548835 848229430 /nfs/dbraw/zinc/22/94/30/848229430.db2.gz ZBCRPIXMODCMNE-AWEZNQCLSA-N 0 3 413.384 4.386 20 30 HIEDHN N#Cc1cccc(COc2cccc(CNCc3ccc(Cn4cncn4)cc3)c2)c1 ZINC000047700598 849092784 /nfs/dbraw/zinc/09/27/84/849092784.db2.gz IAIVLVVEYDGHHG-UHFFFAOYSA-N 0 3 409.493 4.067 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000052710381 849616099 /nfs/dbraw/zinc/61/60/99/849616099.db2.gz KZJMECMTPYGFLK-JOCHJYFZSA-N 0 3 414.525 4.078 20 30 HIEDHN CC(C)CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCN(C)CC1 ZINC000056986484 850530071 /nfs/dbraw/zinc/53/00/71/850530071.db2.gz TYMUUNQJOIQTBJ-UHFFFAOYSA-N 0 3 405.542 4.330 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057130661 850557621 /nfs/dbraw/zinc/55/76/21/850557621.db2.gz OKGRLJFRFNCUKO-HXUWFJFHSA-N 0 3 418.463 4.325 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000060575833 851153437 /nfs/dbraw/zinc/15/34/37/851153437.db2.gz AEMMIJMLPOELSJ-UHFFFAOYSA-N 0 3 401.963 4.284 20 30 HIEDHN C=CCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000063300301 851655010 /nfs/dbraw/zinc/65/50/10/851655010.db2.gz IIBQDYXGLXALBX-UHFFFAOYSA-N 0 3 416.294 4.477 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(Cl)cc1Cl ZINC000065930358 852320245 /nfs/dbraw/zinc/32/02/45/852320245.db2.gz ZFFYYHNKHQEWKH-UHFFFAOYSA-N 0 3 420.340 4.224 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000065930072 852321120 /nfs/dbraw/zinc/32/11/20/852321120.db2.gz GNGCBIZWNPUIEI-UHFFFAOYSA-N 0 3 404.341 4.388 20 30 HIEDHN C[C@H](Sc1ccccc1Cl)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930371 852321137 /nfs/dbraw/zinc/32/11/37/852321137.db2.gz NIIJGKHDSFWAFN-INIZCTEOSA-N 0 3 401.963 4.283 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000097357856 852604735 /nfs/dbraw/zinc/60/47/35/852604735.db2.gz HEFMTMQSKNFSGC-SFHVURJKSA-N 0 3 421.488 4.255 20 30 HIEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000110451897 853101328 /nfs/dbraw/zinc/10/13/28/853101328.db2.gz LUFNODCJEJCMPW-WOJBJXKFSA-N 0 3 417.553 4.187 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000111018972 853187776 /nfs/dbraw/zinc/18/77/76/853187776.db2.gz UMAXSHCFFMWTFT-HXUWFJFHSA-N 0 3 409.505 4.383 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000116402104 853301241 /nfs/dbraw/zinc/30/12/41/853301241.db2.gz ZMIDABCAGGHNDN-UHFFFAOYSA-N 0 3 403.404 4.308 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000195696442 853764449 /nfs/dbraw/zinc/76/44/49/853764449.db2.gz IBGLLENFSJNYJA-UHFFFAOYSA-N 0 3 406.530 4.081 20 30 HIEDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000216002857 853842335 /nfs/dbraw/zinc/84/23/35/853842335.db2.gz QMRDAVSCLYUYAT-AWEZNQCLSA-N 0 3 413.543 4.195 20 30 HIEDHN COc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000237416006 854027655 /nfs/dbraw/zinc/02/76/55/854027655.db2.gz ZCBNLTNZWKRZTK-MRXNPFEDSA-N 0 3 405.420 4.066 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000303302652 854861600 /nfs/dbraw/zinc/86/16/00/854861600.db2.gz CZKDIWSYOPNWSA-QGZVFWFLSA-N 0 3 418.632 4.421 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccc(OCC)c(OCC)c2)C(C)C)CC1 ZINC000303303843 854862471 /nfs/dbraw/zinc/86/24/71/854862471.db2.gz NIZUXBIMRAFANI-QFIPXVFZSA-N 0 3 403.567 4.131 20 30 HIEDHN N#CC(C(=O)c1cnn(-c2cccc(Br)c2)c1)c1nc2ccccc2[nH]1 ZINC000303317718 854869233 /nfs/dbraw/zinc/86/92/33/854869233.db2.gz QOSYTELCUFSVTF-HNNXBMFYSA-N 0 3 406.243 4.001 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000426376461 856263941 /nfs/dbraw/zinc/26/39/41/856263941.db2.gz DZFQBHWSPNUSDS-UHFFFAOYSA-N 0 3 404.558 4.463 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000427118849 856649215 /nfs/dbraw/zinc/64/92/15/856649215.db2.gz BXXATRNDEGVYEP-INIZCTEOSA-N 0 3 401.536 4.254 20 30 HIEDHN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794960 857343958 /nfs/dbraw/zinc/34/39/58/857343958.db2.gz PCZZAQBTTNQTLX-WZONZLPQSA-N 0 3 412.493 4.420 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911329 857408965 /nfs/dbraw/zinc/40/89/65/857408965.db2.gz JIBJYZKFEPXQQR-DENIHFKCSA-N 0 3 413.525 4.029 20 30 HIEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000429255102 857576804 /nfs/dbraw/zinc/57/68/04/857576804.db2.gz OYERJXGLSCWPCK-KDURUIRLSA-N 0 3 412.578 4.231 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289010 857591615 /nfs/dbraw/zinc/59/16/15/857591615.db2.gz BONBYUGAUIJKQV-ROOHIHILSA-N 0 3 406.368 4.105 20 30 HIEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)nc1 ZINC000430185121 858071062 /nfs/dbraw/zinc/07/10/62/858071062.db2.gz IKAXQKKGKMWUIF-MRXNPFEDSA-N 0 3 406.467 4.243 20 30 HIEDHN CC(C)Cn1nc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2c1=O ZINC000430588900 858228964 /nfs/dbraw/zinc/22/89/64/858228964.db2.gz BASGATNCQUTXKN-MRXNPFEDSA-N 0 3 408.527 4.297 20 30 HIEDHN CC(C)Cn1nc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2c1=O ZINC000430588899 858229168 /nfs/dbraw/zinc/22/91/68/858229168.db2.gz BASGATNCQUTXKN-INIZCTEOSA-N 0 3 408.527 4.297 20 30 HIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)s1 ZINC000430650693 858248517 /nfs/dbraw/zinc/24/85/17/858248517.db2.gz VEYALXCZPQOPIC-LLVKDONJSA-N 0 3 421.316 4.464 20 30 HIEDHN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010766 859476223 /nfs/dbraw/zinc/47/62/23/859476223.db2.gz LRPBXXMFWYHCMY-XZOQPEGZSA-N 0 3 421.541 4.392 20 30 HIEDHN Cc1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000433017470 859481138 /nfs/dbraw/zinc/48/11/38/859481138.db2.gz CHTDQRVAYXBSSF-JOCHJYFZSA-N 0 3 401.514 4.452 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000433027769 859488219 /nfs/dbraw/zinc/48/82/19/859488219.db2.gz MPQWZEQIBWYFOJ-GOSISDBHSA-N 0 3 413.905 4.465 20 30 HIEDHN CN(CCSCC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000433032455 859491167 /nfs/dbraw/zinc/49/11/67/859491167.db2.gz MDPAWIVPATWSHC-UHFFFAOYSA-N 0 3 401.963 4.452 20 30 HIEDHN C=CCC[C@@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccc1 ZINC000435759189 861038200 /nfs/dbraw/zinc/03/82/00/861038200.db2.gz HERAITCUFPBXKH-XMMPIXPASA-N 0 3 406.574 4.437 20 30 HIEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000438445966 863871737 /nfs/dbraw/zinc/87/17/37/863871737.db2.gz DKROZNZHFHAUHC-LOSJGSFVSA-N 0 3 421.585 4.311 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C#N)cc1Cl ZINC000438895731 864377563 /nfs/dbraw/zinc/37/75/63/864377563.db2.gz QAGZRGDJQYCTHI-UHFFFAOYSA-N 0 3 401.967 4.310 20 30 HIEDHN C[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CCN1Cc1ccccc1 ZINC000441623463 866723235 /nfs/dbraw/zinc/72/32/35/866723235.db2.gz UEPPMVMLAQFTNQ-FQEVSTJZSA-N 0 3 424.976 4.183 20 30 HIEDHN CC[C@H]1CCc2nc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)sc2C1 ZINC000441946410 867010481 /nfs/dbraw/zinc/01/04/81/867010481.db2.gz MTTVIGCIHUJUQJ-INIZCTEOSA-N 0 3 411.575 4.125 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000442182753 867205346 /nfs/dbraw/zinc/20/53/46/867205346.db2.gz RIONHRLWOGFNPG-AEFFLSMTSA-N 0 3 404.392 4.024 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442192015 867214481 /nfs/dbraw/zinc/21/44/81/867214481.db2.gz IEMDGMWJONFKKM-UHFFFAOYSA-N 0 3 424.398 4.192 20 30 HIEDHN CC(C)(C)Cc1nc(-c2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2)no1 ZINC000442688367 867622078 /nfs/dbraw/zinc/62/20/78/867622078.db2.gz DADMBTUHKDCBOV-QGZVFWFLSA-N 0 3 418.501 4.133 20 30 HIEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 ZINC000443661042 868267119 /nfs/dbraw/zinc/26/71/19/868267119.db2.gz ZZGUNGFSLPRCGQ-WOJBJXKFSA-N 0 3 421.541 4.164 20 30 HIEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444376465 868800307 /nfs/dbraw/zinc/80/03/07/868800307.db2.gz NOZWXGFEXLLHQR-RDPSFJRHSA-N 0 3 415.541 4.105 20 30 HIEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445881874 869870578 /nfs/dbraw/zinc/87/05/78/869870578.db2.gz WTTXVJAFCWQWQH-QGZVFWFLSA-N 0 3 417.303 4.164 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000448290836 872220956 /nfs/dbraw/zinc/22/09/56/872220956.db2.gz SVTAIAQFVGFWND-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 ZINC000468768180 882850521 /nfs/dbraw/zinc/85/05/21/882850521.db2.gz ARNSKNXIGNIFCJ-HXUWFJFHSA-N 0 3 422.598 4.398 20 30 HIEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000468836141 882883029 /nfs/dbraw/zinc/88/30/29/882883029.db2.gz GAYHQIDWLXTJEB-XLIONFOSSA-N 0 3 407.539 4.423 20 30 HIEDHN Cc1nc2ccc(Br)cc2c(N2CCN(c3ncccc3C#N)CC2)c1C ZINC000462082733 875192361 /nfs/dbraw/zinc/19/23/61/875192361.db2.gz DJKMLZDOCUGHEO-UHFFFAOYSA-N 0 3 422.330 4.207 20 30 HIEDHN C=CCOc1cccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000462733735 875807622 /nfs/dbraw/zinc/80/76/22/875807622.db2.gz GGIJWSNRNOGLQX-HXUWFJFHSA-N 0 3 402.441 4.138 20 30 HIEDHN Cc1nc2ccc(Br)cc2c(N2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000462792952 875843101 /nfs/dbraw/zinc/84/31/01/875843101.db2.gz YDCABQJZWBVCSC-UHFFFAOYSA-N 0 3 422.330 4.207 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1C ZINC000463195174 876254141 /nfs/dbraw/zinc/25/41/41/876254141.db2.gz VUCFLCSLHYDWHO-XVFIICMOSA-N 0 3 411.590 4.202 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468968996 883035654 /nfs/dbraw/zinc/03/56/54/883035654.db2.gz MSBPTOCORJMFGF-FQEVSTJZSA-N 0 3 417.340 4.130 20 30 HIEDHN N#CC(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464418638 877627104 /nfs/dbraw/zinc/62/71/04/877627104.db2.gz HHCOISZMEXFOJX-JTQLQIEISA-N 0 3 401.247 4.100 20 30 HIEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464839325 878101779 /nfs/dbraw/zinc/10/17/79/878101779.db2.gz PUMJGLVMTCNBRV-MSOLQXFVSA-N 0 3 422.598 4.032 20 30 HIEDHN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000465366024 878806761 /nfs/dbraw/zinc/80/67/61/878806761.db2.gz BNJRDMUGYMVWLV-FQEVSTJZSA-N 0 3 422.573 4.317 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000465856200 879502980 /nfs/dbraw/zinc/50/29/80/879502980.db2.gz FGIVNBWRGVUSBO-UHFFFAOYSA-N 0 3 401.457 4.207 20 30 HIEDHN CN1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1cccs1 ZINC000469208968 883309792 /nfs/dbraw/zinc/30/97/92/883309792.db2.gz CODWLMLHSVDLJH-LAUBAEHRSA-N 0 3 406.511 4.088 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000469313722 883415735 /nfs/dbraw/zinc/41/57/35/883415735.db2.gz ZZDGDPVJXDJKGM-QHCPKHFHSA-N 0 3 404.558 4.121 20 30 HIEDHN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1OC ZINC000469697099 883876459 /nfs/dbraw/zinc/87/64/59/883876459.db2.gz DFACJCQMFNUKGX-AWEZNQCLSA-N 0 3 414.387 4.347 20 30 HIEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000470182438 884471775 /nfs/dbraw/zinc/47/17/75/884471775.db2.gz GZLZWCDHCYSQNU-ATVHPVEESA-N 0 3 404.470 4.220 20 30 HIEDHN Cc1coc(-c2ccc(C)c(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000470290236 884663563 /nfs/dbraw/zinc/66/35/63/884663563.db2.gz VFQLMQALDIVFEF-UHFFFAOYSA-N 0 3 417.513 4.426 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000503984919 912896854 /nfs/dbraw/zinc/89/68/54/912896854.db2.gz GKGPZTOCOVBUIP-HXUWFJFHSA-N 0 3 412.534 4.008 20 30 HIEDHN CC(C)(C#N)c1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000471176831 885741343 /nfs/dbraw/zinc/74/13/43/885741343.db2.gz KLPPVZVAFQQZGZ-UHFFFAOYSA-N 0 3 408.468 4.415 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000471825523 886575015 /nfs/dbraw/zinc/57/50/15/886575015.db2.gz KIXSLDWQRPPKLH-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000471829400 886579554 /nfs/dbraw/zinc/57/95/54/886579554.db2.gz BTDYHUHJJQDUDF-UHFFFAOYSA-N 0 3 417.475 4.490 20 30 HIEDHN C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000472186010 886986141 /nfs/dbraw/zinc/98/61/41/886986141.db2.gz FHMMXPLFEAPJGS-XMMPIXPASA-N 0 3 407.558 4.065 20 30 HIEDHN N#Cc1cccc(OCCCCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000473526280 888264146 /nfs/dbraw/zinc/26/41/46/888264146.db2.gz YGYBJOCANHUJFX-UHFFFAOYSA-N 0 3 423.479 4.029 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458924 894779328 /nfs/dbraw/zinc/77/93/28/894779328.db2.gz UYJGEZRYHXBQAJ-RTWAWAEBSA-N 0 3 424.342 4.089 20 30 HIEDHN Cn1cc(CNCc2ccc(OCC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479986487 895339689 /nfs/dbraw/zinc/33/96/89/895339689.db2.gz RMYDKOYDKNKYIW-UHFFFAOYSA-N 0 3 400.404 4.190 20 30 HIEDHN Cc1cc(C)c2ncc(C#N)c(NC3CC(N4CCC(C(F)(F)F)CC4)C3)c2c1 ZINC000480547544 895908007 /nfs/dbraw/zinc/90/80/07/895908007.db2.gz AUXKAFRQNLUYKH-UHFFFAOYSA-N 0 3 402.464 4.362 20 30 HIEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000505444314 914108009 /nfs/dbraw/zinc/10/80/09/914108009.db2.gz QEMZJBZGGYDBGW-HNNXBMFYSA-N 0 3 411.870 4.481 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000481751698 897142234 /nfs/dbraw/zinc/14/22/34/897142234.db2.gz RRHIJWJDRCNJFF-SFHVURJKSA-N 0 3 404.432 4.024 20 30 HIEDHN CN(C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1Cl ZINC000481882034 897254215 /nfs/dbraw/zinc/25/42/15/897254215.db2.gz AWTJTCMOYJFDDV-UHFFFAOYSA-N 0 3 417.840 4.093 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482371843 897894797 /nfs/dbraw/zinc/89/47/97/897894797.db2.gz LVPTXRWOGOMENO-INIZCTEOSA-N 0 3 421.410 4.231 20 30 HIEDHN CCN1CCN(c2ccccc2NCc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000482523783 898112055 /nfs/dbraw/zinc/11/20/55/898112055.db2.gz DIMNCESIPUZMOU-UHFFFAOYSA-N 0 3 408.546 4.132 20 30 HIEDHN CCCCCn1nc(C(=O)C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000483196912 898852309 /nfs/dbraw/zinc/85/23/09/898852309.db2.gz KOSWTNITUXEHEX-SFHVURJKSA-N 0 3 411.465 4.020 20 30 HIEDHN CSc1cccc(N(C(=O)[C@@H](C)Oc2ccccc2C#N)C2CCN(C)CC2)c1 ZINC000484299898 899861211 /nfs/dbraw/zinc/86/12/11/899861211.db2.gz ZACZADVMGQBCEY-QGZVFWFLSA-N 0 3 409.555 4.175 20 30 HIEDHN COC(=O)CCN(Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000484328768 899882869 /nfs/dbraw/zinc/88/28/69/899882869.db2.gz YZFXJZIZCMZKRB-UHFFFAOYSA-N 0 3 401.304 4.080 20 30 HIEDHN CSc1cccc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CCN(C)CC2)c1 ZINC000484404241 899928762 /nfs/dbraw/zinc/92/87/62/899928762.db2.gz MOHARDOHOOJODP-KRWDZBQOSA-N 0 3 409.555 4.175 20 30 HIEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484622168 900076324 /nfs/dbraw/zinc/07/63/24/900076324.db2.gz SIZXDJMHLNCGHI-MWMKELGTSA-N 0 3 420.601 4.109 20 30 HIEDHN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NCC(=O)Nc2sccc2C#N)cc1 ZINC000484635604 900085084 /nfs/dbraw/zinc/08/50/84/900085084.db2.gz IULSEQZYOQZCPM-WOJBJXKFSA-N 0 3 413.543 4.327 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000486069472 901261766 /nfs/dbraw/zinc/26/17/66/901261766.db2.gz BPIAALILPZZXRZ-HXUWFJFHSA-N 0 3 403.448 4.185 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](c1ccccc1)N(C)C ZINC000487997345 902519506 /nfs/dbraw/zinc/51/95/06/902519506.db2.gz VXBHSOQHOWWXSK-ACJLOTCBSA-N 0 3 401.308 4.134 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456157 902833308 /nfs/dbraw/zinc/83/33/08/902833308.db2.gz GBZVTUAHWUXMEP-RTWAWAEBSA-N 0 3 424.342 4.089 20 30 HIEDHN CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471580 902842209 /nfs/dbraw/zinc/84/22/09/902842209.db2.gz CNWKWNIEQIPWSV-CTNGQTDRSA-N 0 3 413.974 4.473 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471844 902843138 /nfs/dbraw/zinc/84/31/38/902843138.db2.gz XMXHLBUSMXLKOI-NHCUHLMSSA-N 0 3 424.342 4.089 20 30 HIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491037208 904390533 /nfs/dbraw/zinc/39/05/33/904390533.db2.gz NVORXHCEWVFCSQ-UHFFFAOYSA-N 0 3 417.582 4.428 20 30 HIEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@H]2C1 ZINC000492123065 904802577 /nfs/dbraw/zinc/80/25/77/904802577.db2.gz VBBDQWZBGYJCRK-NQIIRXRSSA-N 0 3 424.932 4.349 20 30 HIEDHN COc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000506261231 914869504 /nfs/dbraw/zinc/86/95/04/914869504.db2.gz FDOJOIGUPQKGJH-HXUWFJFHSA-N 0 3 407.514 4.228 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494447425 905731306 /nfs/dbraw/zinc/73/13/06/905731306.db2.gz ZJZSLYMXXDWOTB-YSSFQJQWSA-N 0 3 404.963 4.424 20 30 HIEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCCC1 ZINC000494750229 905951140 /nfs/dbraw/zinc/95/11/40/905951140.db2.gz BNGYOZFFLWQZQT-LJQANCHMSA-N 0 3 412.578 4.011 20 30 HIEDHN C[C@@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625066 921266147 /nfs/dbraw/zinc/26/61/47/921266147.db2.gz LMFLGNQZWIUWIR-QVKFZJNVSA-N 0 3 421.438 4.440 20 30 HIEDHN N#Cc1ccc(OC2CCC(NCc3c(F)ccc(Br)c3F)CC2)nc1 ZINC000500400116 909836017 /nfs/dbraw/zinc/83/60/17/909836017.db2.gz ROWVCMDZKYNFAW-UHFFFAOYSA-N 0 3 422.273 4.474 20 30 HIEDHN COc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1OCCCC#N ZINC000502334694 911314969 /nfs/dbraw/zinc/31/49/69/911314969.db2.gz RZXJXYLPKBSZKM-UHFFFAOYSA-N 0 3 405.542 4.405 20 30 HIEDHN Cc1ccccc1[C@@H](OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309389 914899195 /nfs/dbraw/zinc/89/91/95/914899195.db2.gz SXYAVKFAFNUJTR-AHWVRZQESA-N 0 3 400.522 4.466 20 30 HIEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507637397 916395545 /nfs/dbraw/zinc/39/55/45/916395545.db2.gz PTWWFNQXAVFXPP-HXUWFJFHSA-N 0 3 415.541 4.276 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]1c1cnn(C)c1 ZINC000509633298 918276295 /nfs/dbraw/zinc/27/62/95/918276295.db2.gz LGHWKVQAGIQYQF-SIKLNZKXSA-N 0 3 420.605 4.210 20 30 HIEDHN C=CCOc1cccc(NC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000510756644 919206803 /nfs/dbraw/zinc/20/68/03/919206803.db2.gz YMQGSOQZYBYDPQ-UHFFFAOYSA-N 0 3 422.573 4.284 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000513660079 921983079 /nfs/dbraw/zinc/98/30/79/921983079.db2.gz JPLZJOOKDBBOFB-MRXNPFEDSA-N 0 3 420.270 4.012 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 ZINC000517304635 924090133 /nfs/dbraw/zinc/09/01/33/924090133.db2.gz TZQIWTUROOGSJX-UHFFFAOYSA-N 0 3 420.582 4.397 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000517318626 924100028 /nfs/dbraw/zinc/10/00/28/924100028.db2.gz ZISSBFRKWBTGLR-GOSISDBHSA-N 0 3 403.567 4.131 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(CCOC)cc3)cc2)CC1 ZINC000517473905 924214678 /nfs/dbraw/zinc/21/46/78/924214678.db2.gz UCEJTQFOHRBWTI-UHFFFAOYSA-N 0 3 409.530 4.440 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000518005730 926946023 /nfs/dbraw/zinc/94/60/23/926946023.db2.gz WVHSDRLKAOBNQT-UHFFFAOYSA-N 0 3 422.529 4.110 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 ZINC000518513775 927318382 /nfs/dbraw/zinc/31/83/82/927318382.db2.gz QVGSGDRXLXCDRM-UHFFFAOYSA-N 0 3 412.578 4.029 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2cccnc2Oc2ccc(OCCC)cc2)CC1 ZINC000518521022 927324159 /nfs/dbraw/zinc/32/41/59/927324159.db2.gz BCEGXEYQROTQRB-UHFFFAOYSA-N 0 3 424.545 4.112 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)CC1 ZINC000519271030 927857458 /nfs/dbraw/zinc/85/74/58/927857458.db2.gz GTLOFVSSXMBANV-UHFFFAOYSA-N 0 3 416.525 4.482 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000519283587 927863054 /nfs/dbraw/zinc/86/30/54/927863054.db2.gz QXELQTIRDDWAON-UHFFFAOYSA-N 0 3 420.557 4.087 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)N(C)C)cc1 ZINC000520055387 928280031 /nfs/dbraw/zinc/28/00/31/928280031.db2.gz NGWPQTMBRRVJEU-OAQYLSRUSA-N 0 3 419.554 4.338 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000520693801 928741135 /nfs/dbraw/zinc/74/11/35/928741135.db2.gz VPBDVQNKRUKGQU-UHFFFAOYSA-N 0 3 412.578 4.045 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521121436 929006718 /nfs/dbraw/zinc/00/67/18/929006718.db2.gz IZBFSJBBZWVNLM-NQIIRXRSSA-N 0 3 408.502 4.128 20 30 HIEDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000521988539 929612259 /nfs/dbraw/zinc/61/22/59/929612259.db2.gz WGGWVUJWNKYLRW-UHFFFAOYSA-N 0 3 411.575 4.128 20 30 HIEDHN C=CCc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc(OC)c1OC ZINC000524868242 929865078 /nfs/dbraw/zinc/86/50/78/929865078.db2.gz JXKMZDRCTFUJCR-LJQANCHMSA-N 0 3 408.542 4.169 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000530692333 930799714 /nfs/dbraw/zinc/79/97/14/930799714.db2.gz LVCOMCZTFBNVAR-UHFFFAOYSA-N 0 3 421.954 4.346 20 30 HIEDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694826 931157507 /nfs/dbraw/zinc/15/75/07/931157507.db2.gz RLDOCZYLSUEIDK-VHSXEESVSA-N 0 3 404.326 4.177 20 30 HIEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970310 931720449 /nfs/dbraw/zinc/72/04/49/931720449.db2.gz GRIDPWUTTIWQDK-ZYOFANERSA-N 0 3 415.603 4.402 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Oc3ccc(F)cc3)CC1)CCC2 ZINC000532977772 931724246 /nfs/dbraw/zinc/72/42/46/931724246.db2.gz JAGSYQQKYOHWOC-UHFFFAOYSA-N 0 3 413.518 4.120 20 30 HIEDHN Cc1ccc(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000533296748 931832130 /nfs/dbraw/zinc/83/21/30/931832130.db2.gz XJWJRESMVDUJNT-UHFFFAOYSA-N 0 3 409.555 4.289 20 30 HIEDHN COc1cc(CN2CCC(n3ccnc3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533484439 931881960 /nfs/dbraw/zinc/88/19/60/931881960.db2.gz GRDMCDFLXPSFFY-UHFFFAOYSA-N 0 3 402.498 4.179 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000533813113 932042897 /nfs/dbraw/zinc/04/28/97/932042897.db2.gz CCPCQIACTWANMF-DEOSSOPVSA-N 0 3 413.521 4.040 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1ccccc1 ZINC000534753515 932729549 /nfs/dbraw/zinc/72/95/49/932729549.db2.gz KWAHKNWNKBMYJC-JWQCQUIFSA-N 0 3 411.505 4.312 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000534757092 932734325 /nfs/dbraw/zinc/73/43/25/932734325.db2.gz UDYZEZACAXYKQI-UKILVPOCSA-N 0 3 411.505 4.312 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1CCC(F)(F)F ZINC000535447683 933141401 /nfs/dbraw/zinc/14/14/01/933141401.db2.gz VABFWPCWPSEIBT-UHFFFAOYSA-N 0 3 403.448 4.257 20 30 HIEDHN C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000538008259 938459463 /nfs/dbraw/zinc/45/94/63/938459463.db2.gz IEGKANAXGZHNEE-NRFANRHFSA-N 0 3 414.553 4.367 20 30 HIEDHN COc1ccc(CNCc2ccc(C(=O)N3CCCCC3)cc2)cc1OCCCC#N ZINC000538396259 938610690 /nfs/dbraw/zinc/61/06/90/938610690.db2.gz MOLVVUIIZWWELZ-UHFFFAOYSA-N 0 3 421.541 4.294 20 30 HIEDHN C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(C#N)cc1 ZINC000538397256 938610780 /nfs/dbraw/zinc/61/07/80/938610780.db2.gz WJZYKKMMLQLXAP-IBGZPJMESA-N 0 3 415.516 4.270 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(I)c3)CC2)cc1 ZINC000538619798 938663385 /nfs/dbraw/zinc/66/33/85/938663385.db2.gz YJLJPNCEOWRLBI-UHFFFAOYSA-N 0 3 417.294 4.239 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276996 938831804 /nfs/dbraw/zinc/83/18/04/938831804.db2.gz QDNUBEVVECHQPX-WOGXIUBCSA-N 0 3 424.520 4.172 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000539293749 938835269 /nfs/dbraw/zinc/83/52/69/938835269.db2.gz XEFIJLZRMTVRKT-LYHRCORUSA-N 0 3 409.555 4.244 20 30 HIEDHN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@H](C)c2ccccc2)cc1 ZINC000539302772 938836998 /nfs/dbraw/zinc/83/69/98/938836998.db2.gz WBITXEAXHWSZMM-QGZVFWFLSA-N 0 3 402.498 4.264 20 30 HIEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(F)cc1 ZINC000539380258 938851804 /nfs/dbraw/zinc/85/18/04/938851804.db2.gz OVJZGIGHCGQNPT-IBGZPJMESA-N 0 3 415.534 4.334 20 30 HIEDHN C=CCN(Cc1ccc(OC(F)F)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832464 938952266 /nfs/dbraw/zinc/95/22/66/938952266.db2.gz SPMOACSJBOSWCU-AWEZNQCLSA-N 0 3 403.408 4.152 20 30 HIEDHN CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)c(Cl)c1 ZINC000540273853 939179541 /nfs/dbraw/zinc/17/95/41/939179541.db2.gz YTSCVTMKPNXYEL-UHFFFAOYSA-N 0 3 410.949 4.167 20 30 HIEDHN C[C@@H]1C[C@@H]1[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522554 939286602 /nfs/dbraw/zinc/28/66/02/939286602.db2.gz WGWYNQXJVLHNKX-PDXHDDNESA-N 0 3 419.916 4.323 20 30 HIEDHN C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(C#N)c1 ZINC000540597334 939314748 /nfs/dbraw/zinc/31/47/48/939314748.db2.gz MGYHUETXFOXRAK-LJQANCHMSA-N 0 3 415.516 4.270 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027752 939435179 /nfs/dbraw/zinc/43/51/79/939435179.db2.gz KUJQOBCYDZTBEI-FZQSFKQPSA-N 0 3 407.562 4.151 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158972 939480945 /nfs/dbraw/zinc/48/09/45/939480945.db2.gz QCIWCNFXGGXOGR-NTKDMRAZSA-N 0 3 420.557 4.038 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000541692417 939606248 /nfs/dbraw/zinc/60/62/48/939606248.db2.gz YOSBBFGAEGOGQA-NDHIBRFCSA-N 0 3 409.555 4.420 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541699096 939608012 /nfs/dbraw/zinc/60/80/12/939608012.db2.gz LKRQNCAALQXFJA-HTAPYJJXSA-N 0 3 414.509 4.059 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541699099 939608090 /nfs/dbraw/zinc/60/80/90/939608090.db2.gz LKRQNCAALQXFJA-VGSWGCGISA-N 0 3 414.509 4.059 20 30 HIEDHN CCOCCOCc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000541903208 939650518 /nfs/dbraw/zinc/65/05/18/939650518.db2.gz PSLIDPGCVZMPRG-UHFFFAOYSA-N 0 3 407.558 4.496 20 30 HIEDHN CCc1ccc([C@@H](CO)NCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000542914397 939876712 /nfs/dbraw/zinc/87/67/12/939876712.db2.gz UTLNHVIXGXWNQH-HXUWFJFHSA-N 0 3 411.571 4.103 20 30 HIEDHN C[C@@H](NCc1cnc(N2CCOCC2)s1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542924299 939878646 /nfs/dbraw/zinc/87/86/46/939878646.db2.gz LXMQJUDGWLXFEH-QGZVFWFLSA-N 0 3 404.539 4.369 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CN[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000543138103 939966353 /nfs/dbraw/zinc/96/63/53/939966353.db2.gz GKFBZSJIFSFAFA-QFIPXVFZSA-N 0 3 423.438 4.430 20 30 HIEDHN CCCN1c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000543768152 940180168 /nfs/dbraw/zinc/18/01/68/940180168.db2.gz BSQZSKPULBUULN-UHFFFAOYSA-N 0 3 402.542 4.324 20 30 HIEDHN Cn1cc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544031465 940304997 /nfs/dbraw/zinc/30/49/97/940304997.db2.gz IPCDJKFDUFBBJB-GOSISDBHSA-N 0 3 414.435 4.011 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000544531918 940473313 /nfs/dbraw/zinc/47/33/13/940473313.db2.gz RDSOLLSVIANIPH-IERDGZPVSA-N 0 3 406.530 4.185 20 30 HIEDHN C=CCc1cc(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000544851164 940519101 /nfs/dbraw/zinc/51/91/01/940519101.db2.gz OUCWQFPUTXPDIN-JOCHJYFZSA-N 0 3 408.542 4.169 20 30 HIEDHN N#CC(C(=O)c1ccccc1OCc1cccc(Br)c1)c1ccncn1 ZINC000546153728 940715692 /nfs/dbraw/zinc/71/56/92/940715692.db2.gz SVPXHMDWSDDLCK-KRWDZBQOSA-N 0 3 408.255 4.308 20 30 HIEDHN COc1ccc2cc([C@H](C)C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)ccc2c1 ZINC000547434503 941062605 /nfs/dbraw/zinc/06/26/05/941062605.db2.gz KHCOUPOECLBGRY-IBGZPJMESA-N 0 3 415.537 4.414 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548612123 941115002 /nfs/dbraw/zinc/11/50/02/941115002.db2.gz WMYCJDOMPBEKSN-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000549541981 941198814 /nfs/dbraw/zinc/19/88/14/941198814.db2.gz JIMWLLZMSSEUBJ-DNVCBOLYSA-N 0 3 416.447 4.270 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)CC2)cc1 ZINC000552125160 941589615 /nfs/dbraw/zinc/58/96/15/941589615.db2.gz LFCVRTAPPKALPM-HSZRJFAPSA-N 0 3 421.491 4.331 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)CC1 ZINC000553158900 941842295 /nfs/dbraw/zinc/84/22/95/941842295.db2.gz URMLOCBGZHPHGX-UHFFFAOYSA-N 0 3 409.530 4.184 20 30 HIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000556104752 942805943 /nfs/dbraw/zinc/80/59/43/942805943.db2.gz KAILZSUGNCOZOT-KNQAVFIVSA-N 0 3 417.525 4.216 20 30 HIEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000556514268 942889964 /nfs/dbraw/zinc/88/99/64/942889964.db2.gz ZTHAWGWODJNSDR-GOSISDBHSA-N 0 3 423.460 4.335 20 30 HIEDHN CCCN(C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000556927027 942969382 /nfs/dbraw/zinc/96/93/82/942969382.db2.gz KURPGNNEJZPALT-KRWDZBQOSA-N 0 3 424.854 4.438 20 30 HIEDHN N#CCc1cccc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000561075719 944430731 /nfs/dbraw/zinc/43/07/31/944430731.db2.gz UYQUUDWLVJUIOH-AREMUKBSSA-N 0 3 424.548 4.455 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C2CCC(F)(F)CC2)c1C#N ZINC000561962054 944876897 /nfs/dbraw/zinc/87/68/97/944876897.db2.gz UBENCIZVLTXJPY-UHFFFAOYSA-N 0 3 404.461 4.066 20 30 HIEDHN C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000562024256 944899377 /nfs/dbraw/zinc/89/93/77/944899377.db2.gz GYTXIYATVSFLDH-KRWDZBQOSA-N 0 3 403.983 4.083 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086304 944930124 /nfs/dbraw/zinc/93/01/24/944930124.db2.gz ATXQMJJPANAHBX-BBRMVZONSA-N 0 3 424.423 4.343 20 30 HIEDHN CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)[C@H]1CCCN(C)C1 ZINC000564194423 945428769 /nfs/dbraw/zinc/42/87/69/945428769.db2.gz USBUROFWZGPPNN-QHCPKHFHSA-N 0 3 420.557 4.147 20 30 HIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433085 945580114 /nfs/dbraw/zinc/58/01/14/945580114.db2.gz HINSOVCZFYLYBH-NHCUHLMSSA-N 0 3 413.443 4.345 20 30 HIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000567202563 946270329 /nfs/dbraw/zinc/27/03/29/946270329.db2.gz VHJBASFOSQGVCE-HXUWFJFHSA-N 0 3 410.489 4.315 20 30 HIEDHN N#CCCN(C(=O)CN[C@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1 ZINC000567969650 946434060 /nfs/dbraw/zinc/43/40/60/946434060.db2.gz MCBYERRDNLHMGO-QHCPKHFHSA-N 0 3 423.944 4.270 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986778 947826589 /nfs/dbraw/zinc/82/65/89/947826589.db2.gz QOIJYLWPKQSBNC-PEVILPJXSA-N 0 3 423.532 4.402 20 30 HIEDHN COCc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000573052205 948072027 /nfs/dbraw/zinc/07/20/27/948072027.db2.gz UGPDFWOTOLVZSR-UHFFFAOYSA-N 0 3 404.489 4.104 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1COc2ccccc21 ZINC000573224157 948109996 /nfs/dbraw/zinc/10/99/96/948109996.db2.gz UQBFJZNHWQBOSO-VCBZYWHSSA-N 0 3 409.555 4.370 20 30 HIEDHN CC1CCC(N2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)CC1 ZINC000573851439 948309989 /nfs/dbraw/zinc/30/99/89/948309989.db2.gz QCOZUTLSNREQDG-UHFFFAOYSA-N 0 3 419.529 4.474 20 30 HIEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164628528 719080718 /nfs/dbraw/zinc/08/07/18/719080718.db2.gz SGSKYSGJJFCYMS-VQIMIIECSA-N 0 3 402.876 4.252 20 30 HIEDHN CCOc1cc(CN(C)CCC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026455554 847153541 /nfs/dbraw/zinc/15/35/41/847153541.db2.gz PNNIOXJNTQVXPW-UHFFFAOYSA-N 0 3 403.429 4.019 20 30 HIEDHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000049408312 849309171 /nfs/dbraw/zinc/30/91/71/849309171.db2.gz FZRCVOFTSMUENX-QGZVFWFLSA-N 0 3 402.502 4.269 20 30 HIEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000052045862 849544406 /nfs/dbraw/zinc/54/44/06/849544406.db2.gz JZSBKPAFFRMBJS-LJQANCHMSA-N 0 3 404.432 4.176 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000060722700 851197299 /nfs/dbraw/zinc/19/72/99/851197299.db2.gz IMWJSPCNFVSBEE-UHFFFAOYSA-N 0 3 421.472 4.073 20 30 HIEDHN C=C(C)COc1cc(CNCc2cccc(CN3CCO[C@@H](C)C3)c2)ccc1OC ZINC000060949217 851255447 /nfs/dbraw/zinc/25/54/47/851255447.db2.gz UVGBETBUDNPAHY-FQEVSTJZSA-N 0 3 410.558 4.161 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061191333 851313954 /nfs/dbraw/zinc/31/39/54/851313954.db2.gz GTGDXBBGGHGXHQ-UHFFFAOYSA-N 0 3 406.530 4.128 20 30 HIEDHN CC(C)Cn1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000065930386 852321074 /nfs/dbraw/zinc/32/10/74/852321074.db2.gz BEBBGKXDFFFOGX-UHFFFAOYSA-N 0 3 402.542 4.373 20 30 HIEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000138592602 853392018 /nfs/dbraw/zinc/39/20/18/853392018.db2.gz APFGPTZAXQGVKT-CYBMUJFWSA-N 0 3 417.227 4.279 20 30 HIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147474179 853588423 /nfs/dbraw/zinc/58/84/23/853588423.db2.gz WRFVELOIIPBMEI-UKRRQHHQSA-N 0 3 407.455 4.418 20 30 HIEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@H](C)c2ccccc2)c1C#N ZINC000216198667 853847132 /nfs/dbraw/zinc/84/71/32/853847132.db2.gz AIFGIUMBZSJWHG-QGZVFWFLSA-N 0 3 404.489 4.453 20 30 HIEDHN COc1ccc(OC(F)F)c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000237371581 854017530 /nfs/dbraw/zinc/01/75/30/854017530.db2.gz LOWXXIUFYMFSEK-INIZCTEOSA-N 0 3 405.420 4.066 20 30 HIEDHN C=CCOc1ccccc1CNCCC(=O)Nc1ccc(Br)cc1C ZINC000237563765 854055235 /nfs/dbraw/zinc/05/52/35/854055235.db2.gz YQOHXHGBBXILDW-UHFFFAOYSA-N 0 3 403.320 4.441 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN(C)Cc2ccc(Br)cc2)c(OC)c1 ZINC000301316714 854357184 /nfs/dbraw/zinc/35/71/84/854357184.db2.gz VYNHTYHSVZNDJE-LJQANCHMSA-N 0 3 420.347 4.058 20 30 HIEDHN C[C@H](c1ccncc1)N1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302678581 854602950 /nfs/dbraw/zinc/60/29/50/854602950.db2.gz RACIEXCMHKTXKV-OAHLLOKOSA-N 0 3 402.458 4.047 20 30 HIEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(OC)cc1 ZINC000302851902 854656553 /nfs/dbraw/zinc/65/65/53/854656553.db2.gz BCMZESISHANSNY-JOCHJYFZSA-N 0 3 420.513 4.306 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000303231059 854827792 /nfs/dbraw/zinc/82/77/92/854827792.db2.gz YKEDUXBHVDMIFP-UHFFFAOYSA-N 0 3 421.488 4.260 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000303299330 854859305 /nfs/dbraw/zinc/85/93/05/854859305.db2.gz PRGNEDVWTVIMNX-UHFFFAOYSA-N 0 3 403.530 4.059 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000303346526 854884742 /nfs/dbraw/zinc/88/47/42/854884742.db2.gz ZZDYXWOWRJWEGI-HNNXBMFYSA-N 0 3 419.978 4.383 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000303387807 854904270 /nfs/dbraw/zinc/90/42/70/854904270.db2.gz YPMQMXBLWIZFBM-IBGZPJMESA-N 0 3 420.557 4.340 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccsc1 ZINC000429716748 857848870 /nfs/dbraw/zinc/84/88/70/857848870.db2.gz KWRGZRBWYJLYRC-NRFANRHFSA-N 0 3 421.570 4.338 20 30 HIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc3c(c(Br)c2)OCO3)s1 ZINC000430612550 858235851 /nfs/dbraw/zinc/23/58/51/858235851.db2.gz RSKJGRRFVSEBOO-JTQLQIEISA-N 0 3 407.289 4.422 20 30 HIEDHN COc1cccc(C2(F)CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000467541339 881363368 /nfs/dbraw/zinc/36/33/68/881363368.db2.gz FTKDVPOTKCONPW-UHFFFAOYSA-N 0 3 419.504 4.328 20 30 HIEDHN Cc1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000433014612 859478740 /nfs/dbraw/zinc/47/87/40/859478740.db2.gz FQMQRCJUTCVMRU-OAQYLSRUSA-N 0 3 405.477 4.283 20 30 HIEDHN N#CCCn1cc(CNCc2cc(F)cc(Br)c2)c(-c2ccncc2)n1 ZINC000433326298 859643900 /nfs/dbraw/zinc/64/39/00/859643900.db2.gz NCXLPEAXYFTYOH-UHFFFAOYSA-N 0 3 414.282 4.050 20 30 HIEDHN CC(C)c1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000435054879 860617686 /nfs/dbraw/zinc/61/76/86/860617686.db2.gz AARWJUYSFYTYPO-UHFFFAOYSA-N 0 3 415.541 4.071 20 30 HIEDHN COc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1OCCCC#N ZINC000435057319 860619796 /nfs/dbraw/zinc/61/97/96/860619796.db2.gz BIXSAQGTEZZSDQ-UHFFFAOYSA-N 0 3 408.546 4.290 20 30 HIEDHN N#CCCn1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435124048 860652190 /nfs/dbraw/zinc/65/21/90/860652190.db2.gz LFFXHXGJRBHHBU-XMMPIXPASA-N 0 3 415.541 4.082 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000439612743 864935421 /nfs/dbraw/zinc/93/54/21/864935421.db2.gz JYOIJQOKRVZTHU-OALUTQOASA-N 0 3 410.484 4.000 20 30 HIEDHN C=CCC[C@@H](NC(=O)NC1CCN(CCOC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440840506 865951539 /nfs/dbraw/zinc/95/15/39/865951539.db2.gz FQGNRSANJROZHV-LJQANCHMSA-N 0 3 413.484 4.123 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441103676 866200692 /nfs/dbraw/zinc/20/06/92/866200692.db2.gz LBRUWVQNYJDTGE-AWEZNQCLSA-N 0 3 408.449 4.242 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000442182756 867205109 /nfs/dbraw/zinc/20/51/09/867205109.db2.gz RIONHRLWOGFNPG-WMZOPIPTSA-N 0 3 404.392 4.024 20 30 HIEDHN N#CC(=C([O-])c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000442860451 867702289 /nfs/dbraw/zinc/70/22/89/867702289.db2.gz WQUSDNDFRDSNDG-IBGZPJMESA-N 0 3 405.479 4.253 20 30 HIEDHN N#CC(C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000442860451 867702295 /nfs/dbraw/zinc/70/22/95/867702295.db2.gz WQUSDNDFRDSNDG-IBGZPJMESA-N 0 3 405.479 4.253 20 30 HIEDHN Cc1c([C@@H](C)NCC2CCC(C#N)CC2)nnn1-c1cccc(Br)c1 ZINC000442866207 867705111 /nfs/dbraw/zinc/70/51/11/867705111.db2.gz KLXLRNBLEHMBNE-IUDNXUCKSA-N 0 3 402.340 4.319 20 30 HIEDHN N#CCCCn1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c2ccccc21 ZINC000444275679 868710183 /nfs/dbraw/zinc/71/01/83/868710183.db2.gz JKXSWIZYFQBVGB-UHFFFAOYSA-N 0 3 416.525 4.154 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000446368257 870280208 /nfs/dbraw/zinc/28/02/08/870280208.db2.gz CXPYMWLKZTZYFJ-MRXNPFEDSA-N 0 3 407.839 4.422 20 30 HIEDHN Cn1cc(C(N)=O)cc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000447158677 871055433 /nfs/dbraw/zinc/05/54/33/871055433.db2.gz XQIXATWHHXJHCX-GFCCVEGCSA-N 0 3 419.293 4.044 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1noc(C2CCCCC2)n1 ZINC000448043000 871874762 /nfs/dbraw/zinc/87/47/62/871874762.db2.gz LZQDJCOORQQJRD-UHFFFAOYSA-N 0 3 416.595 4.216 20 30 HIEDHN COc1ccc(CN2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)cc1 ZINC000461461211 874521641 /nfs/dbraw/zinc/52/16/41/874521641.db2.gz RQZVHPRRNMTPTI-UHFFFAOYSA-N 0 3 404.489 4.275 20 30 HIEDHN N#Cc1cc(N2CCN(Cc3cccc4ccccc43)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000461464622 874522925 /nfs/dbraw/zinc/52/29/25/874522925.db2.gz QGWOXFBXLODDQQ-UHFFFAOYSA-N 0 3 423.476 4.490 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)CC1 ZINC000468865467 882897438 /nfs/dbraw/zinc/89/74/38/882897438.db2.gz FVVWQPHDSJTSBU-GOSISDBHSA-N 0 3 408.571 4.333 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000463585072 876688280 /nfs/dbraw/zinc/68/82/80/876688280.db2.gz BCUXTHALRAPLKF-INIZCTEOSA-N 0 3 414.347 4.015 20 30 HIEDHN N#CC(C(=O)c1csc(I)c1)c1cc(C(F)(F)F)ccn1 ZINC000464412694 877618492 /nfs/dbraw/zinc/61/84/92/877618492.db2.gz WHPDTYYGQSPBJH-SECBINFHSA-N 0 3 422.169 4.257 20 30 HIEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCSCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464478574 877699492 /nfs/dbraw/zinc/69/94/92/877699492.db2.gz UZWXSZGEDXHSIT-QGZVFWFLSA-N 0 3 405.445 4.139 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000465427443 878857745 /nfs/dbraw/zinc/85/77/45/878857745.db2.gz CPLOBRGWMBOAIJ-QHAWAJNXSA-N 0 3 408.571 4.366 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000465427438 878858203 /nfs/dbraw/zinc/85/82/03/878858203.db2.gz CPLOBRGWMBOAIJ-NJDAHSKKSA-N 0 3 408.571 4.366 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2OC)CC1 ZINC000465875616 879527670 /nfs/dbraw/zinc/52/76/70/879527670.db2.gz SPRHTQCTOWCPFU-OAQYLSRUSA-N 0 3 421.585 4.488 20 30 HIEDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000469128058 883223056 /nfs/dbraw/zinc/22/30/56/883223056.db2.gz ZJIPFWBZSOFGKC-OAQYLSRUSA-N 0 3 401.514 4.026 20 30 HIEDHN COc1cc(Br)ccc1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000469757345 883921332 /nfs/dbraw/zinc/92/13/32/883921332.db2.gz QUOJIEQJYOJRMU-ZDUSSCGKSA-N 0 3 402.292 4.009 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000503703826 912803340 /nfs/dbraw/zinc/80/33/40/912803340.db2.gz VTTPTPFKOJWFDP-UHFFFAOYSA-N 0 3 420.513 4.195 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000470052607 884301089 /nfs/dbraw/zinc/30/10/89/884301089.db2.gz BZOUIAGCMKADAG-QGZVFWFLSA-N 0 3 412.361 4.197 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCN1CCCc2ccccc21 ZINC000503945668 912877326 /nfs/dbraw/zinc/87/73/26/912877326.db2.gz JORXRLLMZZTLGH-UHFFFAOYSA-N 0 3 411.619 4.037 20 30 HIEDHN C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000471132392 885671209 /nfs/dbraw/zinc/67/12/09/885671209.db2.gz WTGFLBAALOYXHE-VGSWGCGISA-N 0 3 403.482 4.151 20 30 HIEDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000472430645 887278048 /nfs/dbraw/zinc/27/80/48/887278048.db2.gz IUEWIOWLBQCJCC-UHFFFAOYSA-N 0 3 416.566 4.132 20 30 HIEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc(C(F)(F)F)c1F ZINC000473516669 888248875 /nfs/dbraw/zinc/24/88/75/888248875.db2.gz DEHUJPVREUOCRZ-UHFFFAOYSA-N 0 3 412.349 4.380 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)CC1 ZINC000473825601 888658534 /nfs/dbraw/zinc/65/85/34/888658534.db2.gz CPAYKWYHWNXZQU-ZEQRLZLVSA-N 0 3 417.557 4.132 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475520673 890442197 /nfs/dbraw/zinc/44/21/97/890442197.db2.gz SJDPRROCJZPPKW-GGAORHGYSA-N 0 3 408.521 4.107 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000475614395 890543680 /nfs/dbraw/zinc/54/36/80/890543680.db2.gz VTJKEFYVFSACGK-UHFFFAOYSA-N 0 3 422.529 4.361 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000475616674 890546635 /nfs/dbraw/zinc/54/66/35/890546635.db2.gz HGJSQUSUSMPULT-KRWDZBQOSA-N 0 3 404.580 4.092 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000475616675 890548743 /nfs/dbraw/zinc/54/87/43/890548743.db2.gz HGJSQUSUSMPULT-QGZVFWFLSA-N 0 3 404.580 4.092 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000477044860 891971853 /nfs/dbraw/zinc/97/18/53/891971853.db2.gz QGDHXHXPOKDVEU-FQEVSTJZSA-N 0 3 420.395 4.110 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000477051809 891980320 /nfs/dbraw/zinc/98/03/20/891980320.db2.gz SVULDYIDXGKSPS-SFHVURJKSA-N 0 3 408.384 4.062 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccn(C2CCCC2)n1 ZINC000477346779 892314967 /nfs/dbraw/zinc/31/49/67/892314967.db2.gz HBHAFBZSRUDCNE-UHFFFAOYSA-N 0 3 400.596 4.096 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000477661531 892800409 /nfs/dbraw/zinc/80/04/09/892800409.db2.gz LWKFAFNIXMPSAE-UHFFFAOYSA-N 0 3 422.573 4.401 20 30 HIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000504966115 913704941 /nfs/dbraw/zinc/70/49/41/913704941.db2.gz VTOLTZYFLCMFRZ-UHFFFAOYSA-N 0 3 414.040 4.461 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841487 892900396 /nfs/dbraw/zinc/90/03/96/892900396.db2.gz AOUIAUJMFLGVAR-MAUKXSAKSA-N 0 3 407.436 4.079 20 30 HIEDHN COc1cccc(C2=CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479893970 895241124 /nfs/dbraw/zinc/24/11/24/895241124.db2.gz SGOWSQOVIGSNJP-UHFFFAOYSA-N 0 3 407.539 4.235 20 30 HIEDHN Cn1cc(CNCc2ccnc(N3CCCCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479967367 895321138 /nfs/dbraw/zinc/32/11/38/895321138.db2.gz OXHJMAIMHAEQPY-UHFFFAOYSA-N 0 3 400.530 4.024 20 30 HIEDHN Cn1cc(CNCc2cccc(OCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000480050296 895399113 /nfs/dbraw/zinc/39/91/13/895399113.db2.gz XQTWKPHWIIQXHS-UHFFFAOYSA-N 0 3 400.404 4.190 20 30 HIEDHN C=C(C)[C@@H](NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(F)c(F)c1 ZINC000481615564 896997624 /nfs/dbraw/zinc/99/76/24/896997624.db2.gz SURJWBBIDWVDEQ-LJQANCHMSA-N 0 3 403.385 4.078 20 30 HIEDHN COc1cc(I)c(Cl)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000482004309 897400996 /nfs/dbraw/zinc/40/09/96/897400996.db2.gz VWZSIFPOEVZNRK-PWSUYJOCSA-N 0 3 404.679 4.125 20 30 HIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892859 898511537 /nfs/dbraw/zinc/51/15/37/898511537.db2.gz VFLAGJFKDWLEQU-RDJZCZTQSA-N 0 3 424.911 4.251 20 30 HIEDHN Cc1cc(-c2noc([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483640844 899296655 /nfs/dbraw/zinc/29/66/55/899296655.db2.gz SJDDMKCKNHTPSF-KRWDZBQOSA-N 0 3 419.504 4.371 20 30 HIEDHN C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](c1ccccc1)N(C)C ZINC000505636349 914336699 /nfs/dbraw/zinc/33/66/99/914336699.db2.gz OZRTXOLAZZTBEU-GAJHUEQPSA-N 0 3 400.482 4.167 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000505739267 914416495 /nfs/dbraw/zinc/41/64/95/914416495.db2.gz FQGLEWHDRRNFLT-OAHLLOKOSA-N 0 3 409.392 4.244 20 30 HIEDHN C=CCSc1ccccc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000485469090 900763144 /nfs/dbraw/zinc/76/31/44/900763144.db2.gz VCRGUIUKYQEPKD-QFIPXVFZSA-N 0 3 409.599 4.073 20 30 HIEDHN C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000485491792 900781735 /nfs/dbraw/zinc/78/17/35/900781735.db2.gz OHIRUFAAODTWFW-HXUWFJFHSA-N 0 3 423.582 4.383 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000486187823 901373570 /nfs/dbraw/zinc/37/35/70/901373570.db2.gz LIEMUAFBTVUIME-GOSISDBHSA-N 0 3 412.347 4.379 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(-c4ccc(F)cc4)s3)C2=O)cc1 ZINC000486861818 901906838 /nfs/dbraw/zinc/90/68/38/901906838.db2.gz AWPHHVCKCGCHRP-NRFANRHFSA-N 0 3 405.498 4.317 20 30 HIEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000487620909 902254302 /nfs/dbraw/zinc/25/43/02/902254302.db2.gz GFRHERBDIDBBOX-UHFFFAOYSA-N 0 3 417.509 4.243 20 30 HIEDHN CC(C)CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457155 902834148 /nfs/dbraw/zinc/83/41/48/902834148.db2.gz AAQNJVQDUUITDL-NTKDMRAZSA-N 0 3 405.542 4.435 20 30 HIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866793 903638336 /nfs/dbraw/zinc/63/83/36/903638336.db2.gz SJAMSVIJTNSDNF-RHSMWYFYSA-N 0 3 413.319 4.127 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000494360695 905662427 /nfs/dbraw/zinc/66/24/27/905662427.db2.gz SPPSQZZBFLUCOB-UHFFFAOYSA-N 0 3 420.340 4.224 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000498372039 907863489 /nfs/dbraw/zinc/86/34/89/907863489.db2.gz GKYVQFCECDOILX-UHFFFAOYSA-N 0 3 401.963 4.035 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000498380462 907869760 /nfs/dbraw/zinc/86/97/60/907869760.db2.gz IIBUIOZUZAZOIN-VQTJNVASSA-N 0 3 415.459 4.271 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000498381481 907869834 /nfs/dbraw/zinc/86/98/34/907869834.db2.gz CVLURMOFAURLBJ-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056419 908427937 /nfs/dbraw/zinc/42/79/37/908427937.db2.gz PAJZRGNQUYJGIX-LEWJYISDSA-N 0 3 415.459 4.271 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499194576 908548857 /nfs/dbraw/zinc/54/88/57/908548857.db2.gz PLFUBALSEHLXJN-NZQKXSOJSA-N 0 3 409.578 4.215 20 30 HIEDHN C=CCc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc(OC)c1OC ZINC000512946435 921431808 /nfs/dbraw/zinc/43/18/08/921431808.db2.gz BFXCUISUARBQGX-KRWDZBQOSA-N 0 3 405.479 4.441 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000500748974 910058515 /nfs/dbraw/zinc/05/85/15/910058515.db2.gz PMMNDFAKEKEKQX-OAQYLSRUSA-N 0 3 402.897 4.366 20 30 HIEDHN C[S@](=O)Cc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000513100189 921548893 /nfs/dbraw/zinc/54/88/93/921548893.db2.gz HVVFXLSGJPBASE-LJAQVGFWSA-N 0 3 404.535 4.306 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513134850 921577263 /nfs/dbraw/zinc/57/72/63/921577263.db2.gz CUJGPERRMKENTB-DEOSSOPVSA-N 0 3 413.521 4.040 20 30 HIEDHN Cc1ccccc1[C@H](OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309391 914898968 /nfs/dbraw/zinc/89/89/68/914898968.db2.gz SXYAVKFAFNUJTR-AZGAKELHSA-N 0 3 400.522 4.466 20 30 HIEDHN COc1cccc(CN(CCN(C)C)C(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000506532617 915173568 /nfs/dbraw/zinc/17/35/68/915173568.db2.gz QFMXZYIYRBSTOF-UHFFFAOYSA-N 0 3 407.539 4.294 20 30 HIEDHN COc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1OCCCC#N ZINC000506743352 915431052 /nfs/dbraw/zinc/43/10/52/915431052.db2.gz LGGCKTBHOBEKQH-UHFFFAOYSA-N 0 3 407.514 4.228 20 30 HIEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000508499145 917283616 /nfs/dbraw/zinc/28/36/16/917283616.db2.gz XNCHRZORDWXURT-KSEOMHKRSA-N 0 3 409.578 4.053 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000509500971 918146796 /nfs/dbraw/zinc/14/67/96/918146796.db2.gz BXWMVAKRXIVCJX-CRAIPNDOSA-N 0 3 406.555 4.118 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2cc(C#N)ccc2C(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000509601284 918252472 /nfs/dbraw/zinc/25/24/72/918252472.db2.gz OOAKRKVRNRAMIJ-OXJNMPFZSA-N 0 3 405.468 4.220 20 30 HIEDHN Cc1ccc(Cc2nc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000510567803 919011001 /nfs/dbraw/zinc/01/10/01/919011001.db2.gz CTZOBFSMNDFWGM-UHFFFAOYSA-N 0 3 418.566 4.118 20 30 HIEDHN C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CCN(C)CC1 ZINC000511291872 919888593 /nfs/dbraw/zinc/88/85/93/919888593.db2.gz WJJVVFHOXQLXBE-GOSISDBHSA-N 0 3 404.514 4.104 20 30 HIEDHN N#CC(CCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658313 920322484 /nfs/dbraw/zinc/32/24/84/920322484.db2.gz XGOSGHZXSTVFJS-NQIIRXRSSA-N 0 3 402.460 4.379 20 30 HIEDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820657 922814965 /nfs/dbraw/zinc/81/49/65/922814965.db2.gz VBYPGMVTDRFAOC-WMZHIEFXSA-N 0 3 403.526 4.006 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654596 926762167 /nfs/dbraw/zinc/76/21/67/926762167.db2.gz ZJVBZDRUTAXGSZ-AVRDEDQJSA-N 0 3 412.493 4.311 20 30 HIEDHN CN(C(=O)c1ccco1)c1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000518673093 927421253 /nfs/dbraw/zinc/42/12/53/927421253.db2.gz MZNURWJMKMMBOU-OAHLLOKOSA-N 0 3 413.355 4.460 20 30 HIEDHN C=CCN1CCC(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)CC1 ZINC000519274836 927858799 /nfs/dbraw/zinc/85/87/99/927858799.db2.gz UFVOONGNUZNMGH-UHFFFAOYSA-N 0 3 417.962 4.342 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 ZINC000521488941 929248480 /nfs/dbraw/zinc/24/84/80/929248480.db2.gz GUZZHOGYAIPDBR-VWLOTQADSA-N 0 3 413.521 4.478 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000524668974 929783115 /nfs/dbraw/zinc/78/31/15/929783115.db2.gz HHPPCRQWZRTTBC-UHFFFAOYSA-N 0 3 420.532 4.450 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCCC[C@@H]1CC(C)C ZINC000524908548 929883937 /nfs/dbraw/zinc/88/39/37/929883937.db2.gz YRTQXLCTWMTVJX-HXUWFJFHSA-N 0 3 402.583 4.242 20 30 HIEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000525399770 930219515 /nfs/dbraw/zinc/21/95/15/930219515.db2.gz BEDPMJBKELWCBE-FQEVSTJZSA-N 0 3 422.598 4.097 20 30 HIEDHN COC1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000532582117 931540333 /nfs/dbraw/zinc/54/03/33/931540333.db2.gz WEFPOQPVQXRHKJ-UHFFFAOYSA-N 0 3 400.567 4.310 20 30 HIEDHN N#Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000532759191 931624307 /nfs/dbraw/zinc/62/43/07/931624307.db2.gz ZSXCPUXTNKOCSO-UHFFFAOYSA-N 0 3 404.392 4.198 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(CC3CCCCC3)CC2)c1 ZINC000532926485 931699123 /nfs/dbraw/zinc/69/91/23/931699123.db2.gz OBAHIGKHIXJQLV-QFIPXVFZSA-N 0 3 410.606 4.137 20 30 HIEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000533287148 931828108 /nfs/dbraw/zinc/82/81/08/931828108.db2.gz MJLCHFSUEKQBAU-IBGZPJMESA-N 0 3 405.542 4.356 20 30 HIEDHN Cc1ccc(Br)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000534201995 932328561 /nfs/dbraw/zinc/32/85/61/932328561.db2.gz KYOZOUHSTVGVDO-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN COc1ccc(C[C@@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629393 933274496 /nfs/dbraw/zinc/27/44/96/933274496.db2.gz ZOTDJCDQDSZXAB-RTBURBONSA-N 0 3 411.521 4.280 20 30 HIEDHN C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000537296702 933702046 /nfs/dbraw/zinc/70/20/46/933702046.db2.gz VSRMGOJKVITKTO-SFHVURJKSA-N 0 3 416.525 4.164 20 30 HIEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538128435 938513215 /nfs/dbraw/zinc/51/32/15/938513215.db2.gz COTAOJBQCGBXIN-SFHVURJKSA-N 0 3 412.493 4.490 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000538208745 938556236 /nfs/dbraw/zinc/55/62/36/938556236.db2.gz WOGIVEQAFMECPR-QFIPXVFZSA-N 0 3 419.916 4.467 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000538277947 938581918 /nfs/dbraw/zinc/58/19/18/938581918.db2.gz WBTSQWMFHSMZAN-MOPGFXCFSA-N 0 3 408.521 4.412 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1 ZINC000538721957 938691019 /nfs/dbraw/zinc/69/10/19/938691019.db2.gz POOPYLAVMKVBGV-UHFFFAOYSA-N 0 3 403.526 4.114 20 30 HIEDHN COc1cc(N[C@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000538753049 938702703 /nfs/dbraw/zinc/70/27/03/938702703.db2.gz ILGAEMNHCUKGGP-FQEVSTJZSA-N 0 3 409.530 4.463 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000539334435 938843609 /nfs/dbraw/zinc/84/36/09/938843609.db2.gz WTWXSBZINNSRGE-XUZZJYLKSA-N 0 3 405.542 4.308 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000539334096 938843612 /nfs/dbraw/zinc/84/36/12/938843612.db2.gz MXVVYWRWVVSJBZ-QHCPKHFHSA-N 0 3 417.488 4.343 20 30 HIEDHN C=CCC[C@@H](NCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)c1ccccc1 ZINC000539361353 938848484 /nfs/dbraw/zinc/84/84/84/938848484.db2.gz SDGFSIICHZOICM-XMMPIXPASA-N 0 3 419.569 4.013 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540353724 939204869 /nfs/dbraw/zinc/20/48/69/939204869.db2.gz FEQGDUIIGHKHOU-LDMCVSKHSA-N 0 3 410.562 4.005 20 30 HIEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000540376076 939216176 /nfs/dbraw/zinc/21/61/76/939216176.db2.gz ODPHYJQKRBEZJX-AWEZNQCLSA-N 0 3 412.515 4.476 20 30 HIEDHN C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778778 939368925 /nfs/dbraw/zinc/36/89/25/939368925.db2.gz HUORLAWUQKJBPG-MGPUTAFESA-N 0 3 401.432 4.419 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024838 939433511 /nfs/dbraw/zinc/43/35/11/939433511.db2.gz SFCSCGOQFKZTOW-ZWKOTPCHSA-N 0 3 408.571 4.496 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158971 939480865 /nfs/dbraw/zinc/48/08/65/939480865.db2.gz QCIWCNFXGGXOGR-DVECYGJZSA-N 0 3 420.557 4.038 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000541325829 939490936 /nfs/dbraw/zinc/49/09/36/939490936.db2.gz RUBLAZMJGAJRSI-HNNXBMFYSA-N 0 3 412.397 4.398 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000541957586 939662868 /nfs/dbraw/zinc/66/28/68/939662868.db2.gz GQDUSYWYGYFCER-HXUWFJFHSA-N 0 3 415.541 4.395 20 30 HIEDHN Cc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1-n1nnnc1C(C)C ZINC000542482747 939831344 /nfs/dbraw/zinc/83/13/44/939831344.db2.gz HPPQZPJVHGGDQK-UHFFFAOYSA-N 0 3 415.545 4.042 20 30 HIEDHN Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000542529850 939838252 /nfs/dbraw/zinc/83/82/52/939838252.db2.gz VNYPNUMDZSIEJL-FQEVSTJZSA-N 0 3 419.916 4.416 20 30 HIEDHN COCC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542578952 939845748 /nfs/dbraw/zinc/84/57/48/939845748.db2.gz NNLKQYWQCRJTPJ-GOSISDBHSA-N 0 3 415.559 4.486 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543822503 940198659 /nfs/dbraw/zinc/19/86/59/940198659.db2.gz YEZFIRQEJDFUCB-IBGZPJMESA-N 0 3 410.484 4.424 20 30 HIEDHN CC(C)N1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549341559 941181333 /nfs/dbraw/zinc/18/13/33/941181333.db2.gz VJAZLAXXEFWMSX-IFMALSPDSA-N 0 3 414.912 4.103 20 30 HIEDHN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC000549693050 941204803 /nfs/dbraw/zinc/20/48/03/941204803.db2.gz MCSMDDDZQXBNDA-UHFFFAOYSA-N 0 3 423.605 4.272 20 30 HIEDHN N#CC1(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CCCCC1 ZINC000551421633 941475880 /nfs/dbraw/zinc/47/58/80/941475880.db2.gz HSWYORFSVGLWOS-FQEVSTJZSA-N 0 3 423.479 4.105 20 30 HIEDHN N#Cc1ccc(N2CCC(N[C@H](CCO)c3ccccc3Br)CC2)cc1 ZINC000552282974 941622025 /nfs/dbraw/zinc/62/20/25/941622025.db2.gz TZNSQNGHBVOHMF-OAQYLSRUSA-N 0 3 414.347 4.003 20 30 HIEDHN CCOC(=O)C1CCC(N(CC)CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000554855447 942290855 /nfs/dbraw/zinc/29/08/55/942290855.db2.gz BQPJZEICRZRBLZ-UHFFFAOYSA-N 0 3 409.530 4.181 20 30 HIEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc(Cl)c1Br ZINC000556569174 942902010 /nfs/dbraw/zinc/90/20/10/942902010.db2.gz FRIBDTFAVQRIAQ-GFCCVEGCSA-N 0 3 407.699 4.219 20 30 HIEDHN COc1ccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)cc1OCCCC#N ZINC000556618062 942918165 /nfs/dbraw/zinc/91/81/65/942918165.db2.gz VQATZOABWUVYMN-UHFFFAOYSA-N 0 3 415.484 4.368 20 30 HIEDHN CC1(C)CCCN(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000561305515 944544871 /nfs/dbraw/zinc/54/48/71/944544871.db2.gz VDWQXZRDYFNFEE-UHFFFAOYSA-N 0 3 416.997 4.056 20 30 HIEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046592 944909863 /nfs/dbraw/zinc/90/98/63/944909863.db2.gz JAXILJLLMLGKKJ-SAWYMBPVSA-N 0 3 422.598 4.251 20 30 HIEDHN CN1C(=O)C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000562200112 945017310 /nfs/dbraw/zinc/01/73/10/945017310.db2.gz COZPTXPNAXJOFK-IEBWSBKVSA-N 0 3 407.823 4.292 20 30 HIEDHN COc1cc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)ccc1C#N ZINC000564379186 945543855 /nfs/dbraw/zinc/54/38/55/945543855.db2.gz LXLDWUQWXPGTKQ-UHFFFAOYSA-N 0 3 402.376 4.011 20 30 HIEDHN CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382420 945545351 /nfs/dbraw/zinc/54/53/51/945545351.db2.gz SRDTZBKAGDCZEP-PKTZIBPZSA-N 0 3 403.526 4.288 20 30 HIEDHN CN(C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccccc1 ZINC000564440916 945590086 /nfs/dbraw/zinc/59/00/86/945590086.db2.gz HWJZOJGCVZKKKO-NRFANRHFSA-N 0 3 415.497 4.040 20 30 HIEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000567202562 946270633 /nfs/dbraw/zinc/27/06/33/946270633.db2.gz VHJBASFOSQGVCE-FQEVSTJZSA-N 0 3 410.489 4.315 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)N(C)C)cc1 ZINC000568699893 946667686 /nfs/dbraw/zinc/66/76/86/946667686.db2.gz MNAQJFVGWZPHAO-HSZRJFAPSA-N 0 3 415.497 4.478 20 30 HIEDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000571848426 947804589 /nfs/dbraw/zinc/80/45/89/947804589.db2.gz VOCSLACOVRWLIA-QMMMGPOBSA-N 0 3 424.219 4.024 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1COc2ccccc21 ZINC000573224159 948110317 /nfs/dbraw/zinc/11/03/17/948110317.db2.gz UQBFJZNHWQBOSO-ZRGWGRIASA-N 0 3 409.555 4.370 20 30 HIEDHN C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc1OC ZINC000573689551 948272408 /nfs/dbraw/zinc/27/24/08/948272408.db2.gz MPACQPPZJPUWQZ-IBGZPJMESA-N 0 3 400.544 4.015 20 30 HIEDHN CC(C)N1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574221827 948390039 /nfs/dbraw/zinc/39/00/39/948390039.db2.gz PPQMIIOLDVRZAX-IFMALSPDSA-N 0 3 414.912 4.103 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)c2cccs2)CC1 ZINC000574594558 948486565 /nfs/dbraw/zinc/48/65/65/948486565.db2.gz RWOJYOAQSKJMEG-FQEVSTJZSA-N 0 3 408.571 4.381 20 30 HIEDHN N#CC(C(=O)c1ccc2c(c1)NC(=O)CO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514785 848224359 /nfs/dbraw/zinc/22/43/59/848224359.db2.gz NPWSXHFMXPTYPN-AWEZNQCLSA-N 0 3 409.854 4.284 20 30 HIEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548833 848229912 /nfs/dbraw/zinc/22/99/12/848229912.db2.gz ZBCRPIXMODCMNE-CQSZACIVSA-N 0 3 413.384 4.386 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000043717927 848452426 /nfs/dbraw/zinc/45/24/26/848452426.db2.gz UGZWLYDVDXORCW-QFIPXVFZSA-N 0 3 410.949 4.436 20 30 HIEDHN Cc1nc(Cc2ccccc2)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000044566337 848571482 /nfs/dbraw/zinc/57/14/82/848571482.db2.gz VFNPMTVTKQACGE-UHFFFAOYSA-N 0 3 418.566 4.118 20 30 HIEDHN N#CC(C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813524 849270200 /nfs/dbraw/zinc/27/02/00/849270200.db2.gz UNYNOKFDSMIAGD-OAHLLOKOSA-N 0 3 406.243 4.001 20 30 HIEDHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000058967357 850970588 /nfs/dbraw/zinc/97/05/88/850970588.db2.gz IFWQMCNCSUXDHL-UHFFFAOYSA-N 0 3 422.529 4.333 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000063400422 851678445 /nfs/dbraw/zinc/67/84/45/851678445.db2.gz OIDUPVITHLXOAL-QFIPXVFZSA-N 0 3 410.518 4.158 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000063402355 851679398 /nfs/dbraw/zinc/67/93/98/851679398.db2.gz CSWAOTWYNMNIDE-UHFFFAOYSA-N 0 3 422.529 4.129 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000064027820 851817711 /nfs/dbraw/zinc/81/77/11/851817711.db2.gz SXJKPKPOEJHGIQ-UHFFFAOYSA-N 0 3 403.526 4.349 20 30 HIEDHN C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)s1 ZINC000437108486 862295652 /nfs/dbraw/zinc/29/56/52/862295652.db2.gz NSOXQFNLZHSPNH-LMWSTFAQSA-N 0 3 407.337 4.213 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000064520847 851918450 /nfs/dbraw/zinc/91/84/50/851918450.db2.gz NXEXKXFNZJNJLL-UHFFFAOYSA-N 0 3 404.436 4.367 20 30 HIEDHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930405 852320168 /nfs/dbraw/zinc/32/01/68/852320168.db2.gz JYECPDMGBRZDAB-FQEVSTJZSA-N 0 3 407.558 4.348 20 30 HIEDHN Cc1nc(Cc2ccccc2)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930554 852320297 /nfs/dbraw/zinc/32/02/97/852320297.db2.gz BQPUJUTZMAMQCL-UHFFFAOYSA-N 0 3 418.566 4.118 20 30 HIEDHN C#CCOc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000078667614 852525066 /nfs/dbraw/zinc/52/50/66/852525066.db2.gz BRCXZOUTHFWXFP-OAQYLSRUSA-N 0 3 402.416 4.092 20 30 HIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000097592671 852640563 /nfs/dbraw/zinc/64/05/63/852640563.db2.gz UVHREABFPXFLBK-KRWDZBQOSA-N 0 3 417.475 4.346 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN(Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000105422285 852704234 /nfs/dbraw/zinc/70/42/34/852704234.db2.gz QPODUWGBBWGMBI-KRWDZBQOSA-N 0 3 403.935 4.283 20 30 HIEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000109485748 852976260 /nfs/dbraw/zinc/97/62/60/852976260.db2.gz ZZTVEQIHQMTONK-QHCPKHFHSA-N 0 3 423.582 4.192 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000195713677 853774453 /nfs/dbraw/zinc/77/44/53/853774453.db2.gz DGSWOWWMWDPWSD-UHFFFAOYSA-N 0 3 420.435 4.095 20 30 HIEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000236971606 853944459 /nfs/dbraw/zinc/94/44/59/853944459.db2.gz WNVMTYNRSUBLQR-UHFFFAOYSA-N 0 3 415.493 4.264 20 30 HIEDHN COc1ccc(CNCc2cc(N(C)C)nc3ccccc23)cc1OCCCC#N ZINC000237432989 854032281 /nfs/dbraw/zinc/03/22/81/854032281.db2.gz UREVSFAXXLEPGG-UHFFFAOYSA-N 0 3 404.514 4.282 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 ZINC000303283073 854851240 /nfs/dbraw/zinc/85/12/40/854851240.db2.gz JDZSIIYBFPJXDP-UHFFFAOYSA-N 0 3 413.484 4.036 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000303362608 854892826 /nfs/dbraw/zinc/89/28/26/854892826.db2.gz HQGXFNHNOXXVGX-HXUWFJFHSA-N 0 3 422.598 4.227 20 30 HIEDHN COc1cc(C#N)ccc1OCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000303783385 855196061 /nfs/dbraw/zinc/19/60/61/855196061.db2.gz DFMWDJUFVOGMDJ-UHFFFAOYSA-N 0 3 409.313 4.137 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000303929017 855298482 /nfs/dbraw/zinc/29/84/82/855298482.db2.gz WVPCKZCKGPWBEC-HSZRJFAPSA-N 0 3 418.585 4.147 20 30 HIEDHN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1CN(C)C ZINC000328602762 855422936 /nfs/dbraw/zinc/42/29/36/855422936.db2.gz CVZBGIAVTZVMIA-URXFXBBRSA-N 0 3 418.541 4.477 20 30 HIEDHN C=CCN1CCC(NC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000437433681 862806503 /nfs/dbraw/zinc/80/65/03/862806503.db2.gz RYRWADXEFMAEFQ-UHFFFAOYSA-N 0 3 413.512 4.068 20 30 HIEDHN C=C(C)COc1cccc(NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429058138 857483104 /nfs/dbraw/zinc/48/31/04/857483104.db2.gz CXSOYOHPVUOUPL-PMACEKPBSA-N 0 3 415.578 4.385 20 30 HIEDHN N#Cc1ccc(O[C@H]2CCN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000430182736 858070415 /nfs/dbraw/zinc/07/04/15/858070415.db2.gz ZFXLZRMTSVGOCE-SFHVURJKSA-N 0 3 413.403 4.015 20 30 HIEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708896 858275114 /nfs/dbraw/zinc/27/51/14/858275114.db2.gz VIMAZVVHNZYAES-KBXCAEBGSA-N 0 3 423.376 4.455 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000430967502 858385222 /nfs/dbraw/zinc/38/52/22/858385222.db2.gz SUGKORUNQVKFJB-INIZCTEOSA-N 0 3 418.563 4.034 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2CC(=O)c2cccs2)cc1Cl ZINC000431001643 858400238 /nfs/dbraw/zinc/40/02/38/858400238.db2.gz WBDVKJUTOHEOSB-MRXNPFEDSA-N 0 3 401.919 4.339 20 30 HIEDHN C=CCN1C(=O)N(C[C@@H]2CCCN(Cc3cccs3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431165822 858481859 /nfs/dbraw/zinc/48/18/59/858481859.db2.gz HHAUWKQEGWDOJA-IRLDBZIGSA-N 0 3 423.582 4.022 20 30 HIEDHN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030255 859489632 /nfs/dbraw/zinc/48/96/32/859489632.db2.gz JGEDTDJFICJUEJ-FCHUYYIVSA-N 0 3 421.541 4.392 20 30 HIEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCc1ccc(C#N)cc1 ZINC000434322680 860282991 /nfs/dbraw/zinc/28/29/91/860282991.db2.gz WXEQVGPQYGUSBN-QHCPKHFHSA-N 0 3 413.525 4.082 20 30 HIEDHN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000434348161 860304565 /nfs/dbraw/zinc/30/45/65/860304565.db2.gz DKIYWGYVYYIWBA-XMMPIXPASA-N 0 3 420.532 4.426 20 30 HIEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(Br)c1 ZINC000435131865 860656126 /nfs/dbraw/zinc/65/61/26/860656126.db2.gz FRWIBMRINHASBN-UHFFFAOYSA-N 0 3 410.319 4.253 20 30 HIEDHN Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435290502 860721508 /nfs/dbraw/zinc/72/15/08/860721508.db2.gz QUWOFIOOACMMBQ-QHCPKHFHSA-N 0 3 413.525 4.082 20 30 HIEDHN C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000438003196 863364674 /nfs/dbraw/zinc/36/46/74/863364674.db2.gz VUFXCUUTKASGGO-INIZCTEOSA-N 0 3 414.456 4.288 20 30 HIEDHN CCCc1c(NC(=O)N2CCN(C3CCCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439681218 865015837 /nfs/dbraw/zinc/01/58/37/865015837.db2.gz NVDQPGPWOSCIRA-UHFFFAOYSA-N 0 3 420.561 4.179 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440251495 865493131 /nfs/dbraw/zinc/49/31/31/865493131.db2.gz DFPXUSIRMDITTO-OAQYLSRUSA-N 0 3 400.473 4.083 20 30 HIEDHN COc1cc(CNC2(c3ccc(Br)cc3)CCOCC2)ccc1C#N ZINC000440815237 865932517 /nfs/dbraw/zinc/93/25/17/865932517.db2.gz HTQURAFBDMFUJK-UHFFFAOYSA-N 0 3 401.304 4.125 20 30 HIEDHN COc1ccc(CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)C)cc1OC ZINC000441390433 866461056 /nfs/dbraw/zinc/46/10/56/866461056.db2.gz XGPRGSJGKQLBTB-UHFFFAOYSA-N 0 3 420.513 4.326 20 30 HIEDHN Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000441623339 866723719 /nfs/dbraw/zinc/72/37/19/866723719.db2.gz UCPDVUUZZBVAJK-QETWGEEDSA-N 0 3 420.561 4.090 20 30 HIEDHN Cc1ccc(NC(=O)CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 ZINC000447309428 871204025 /nfs/dbraw/zinc/20/40/25/871204025.db2.gz NNLQNMTVYKUZMC-UHFFFAOYSA-N 0 3 402.473 4.432 20 30 HIEDHN C=CCCCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460887050 873799993 /nfs/dbraw/zinc/79/99/93/873799993.db2.gz XWPINWCJKDPZCX-UHFFFAOYSA-N 0 3 408.384 4.411 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 ZINC000461113449 874037028 /nfs/dbraw/zinc/03/70/28/874037028.db2.gz MUPIWTWCRLPPHY-UHFFFAOYSA-N 0 3 421.328 4.346 20 30 HIEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468836230 882883156 /nfs/dbraw/zinc/88/31/56/882883156.db2.gz GAYHQIDWLXTJEB-YLJYHZDGSA-N 0 3 407.539 4.423 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463585799 876690394 /nfs/dbraw/zinc/69/03/94/876690394.db2.gz JGKTUEZLGOWOQH-UHFFFAOYSA-N 0 3 411.374 4.059 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000503339331 912316738 /nfs/dbraw/zinc/31/67/38/912316738.db2.gz FWZBRXRDGUDSEV-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)cc(OC(C)C)c2)CC1 ZINC000465056156 878417353 /nfs/dbraw/zinc/41/73/53/878417353.db2.gz FWKGYQOYJVVMEP-UHFFFAOYSA-N 0 3 410.356 4.398 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000465443612 878874633 /nfs/dbraw/zinc/87/46/33/878874633.db2.gz PBDRVFYJEBZHGT-SMIHKQSGSA-N 0 3 402.542 4.305 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000465443609 878874722 /nfs/dbraw/zinc/87/47/22/878874722.db2.gz PBDRVFYJEBZHGT-SGNDLWITSA-N 0 3 402.542 4.305 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000465589780 879071980 /nfs/dbraw/zinc/07/19/80/879071980.db2.gz DHNCWWYPGVRWGW-WXFUMESZSA-N 0 3 402.542 4.305 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465747204 879334500 /nfs/dbraw/zinc/33/45/00/879334500.db2.gz FQDPSPINXSUYCY-GOUWZUTHSA-N 0 3 402.542 4.303 20 30 HIEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000465973318 879641650 /nfs/dbraw/zinc/64/16/50/879641650.db2.gz PRZWRVKSRZOWQT-HSZRJFAPSA-N 0 3 406.574 4.388 20 30 HIEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000470437292 884834996 /nfs/dbraw/zinc/83/49/96/884834996.db2.gz UEPYPUXEPWWAMI-UHFFFAOYSA-N 0 3 420.026 4.293 20 30 HIEDHN N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(CN4CCCC4)c3)ccc21 ZINC000470856836 885352130 /nfs/dbraw/zinc/35/21/30/885352130.db2.gz ZNYGXFXHMHSBBY-UHFFFAOYSA-N 0 3 416.525 4.118 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000471744982 886469652 /nfs/dbraw/zinc/46/96/52/886469652.db2.gz ORYQRLWIJZYQEN-UHFFFAOYSA-N 0 3 417.475 4.490 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472240386 887049132 /nfs/dbraw/zinc/04/91/32/887049132.db2.gz JVMNRFHCXNUOFX-OAQYLSRUSA-N 0 3 414.553 4.334 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472535084 887407807 /nfs/dbraw/zinc/40/78/07/887407807.db2.gz CXMUJABWJNLMHC-JTHBVZDNSA-N 0 3 408.521 4.107 20 30 HIEDHN COc1cc(CN2CCSC3(CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000473163807 887941614 /nfs/dbraw/zinc/94/16/14/887941614.db2.gz JMJQKZTUNKOLOY-UHFFFAOYSA-N 0 3 424.566 4.244 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173885 887950735 /nfs/dbraw/zinc/95/07/35/887950735.db2.gz WWXPJIWEAWWAGZ-GYCJOSAFSA-N 0 3 421.566 4.205 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173881 887950800 /nfs/dbraw/zinc/95/08/00/887950800.db2.gz WWXPJIWEAWWAGZ-FYSMJZIKSA-N 0 3 421.566 4.205 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC000475579958 890509668 /nfs/dbraw/zinc/50/96/68/890509668.db2.gz WTLLJGXGLQXYSO-UHFFFAOYSA-N 0 3 422.245 4.120 20 30 HIEDHN C=CCN1CCC(NC(=O)c2c(CC)onc2-c2ccc(Br)cc2)CC1 ZINC000475647583 890590981 /nfs/dbraw/zinc/59/09/81/890590981.db2.gz FEQNGTJCTUCCII-UHFFFAOYSA-N 0 3 418.335 4.047 20 30 HIEDHN C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000504825126 913542339 /nfs/dbraw/zinc/54/23/39/913542339.db2.gz HMTREUPSKVFKIY-DVECYGJZSA-N 0 3 400.526 4.020 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](CC)Cc2ccccc2Br)CC1 ZINC000476941196 891882459 /nfs/dbraw/zinc/88/24/59/891882459.db2.gz JEHKDNZJOPOUAD-LJQANCHMSA-N 0 3 422.411 4.452 20 30 HIEDHN Cn1cc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478354326 893603922 /nfs/dbraw/zinc/60/39/22/893603922.db2.gz FTHHHDXFGWXSQI-UHFFFAOYSA-N 0 3 402.498 4.204 20 30 HIEDHN C=CCN1CCC(NC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000478613342 893876575 /nfs/dbraw/zinc/87/65/75/893876575.db2.gz CRWQUOXXCADNFK-UHFFFAOYSA-N 0 3 401.860 4.298 20 30 HIEDHN Cn1cc(CNCc2ccc(COCC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479989007 895342719 /nfs/dbraw/zinc/34/27/19/895342719.db2.gz SSYIHZSDVMHBCF-UHFFFAOYSA-N 0 3 414.431 4.327 20 30 HIEDHN Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481632756 897017846 /nfs/dbraw/zinc/01/78/46/897017846.db2.gz VZDWOMJMQJROSR-UHFFFAOYSA-N 0 3 422.598 4.269 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000481686716 897071409 /nfs/dbraw/zinc/07/14/09/897071409.db2.gz BQUJFJOIHBYRKX-DEOSSOPVSA-N 0 3 421.566 4.349 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481930358 897314782 /nfs/dbraw/zinc/31/47/82/897314782.db2.gz WONFQNPEKATLOG-ISKFKSNPSA-N 0 3 403.526 4.024 20 30 HIEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000482034316 897446819 /nfs/dbraw/zinc/44/68/19/897446819.db2.gz AUCKXTMLTWFLEJ-UHFFFAOYSA-N 0 3 414.619 4.087 20 30 HIEDHN COC(=O)c1ccc(COc2ccc(CN[C@H](C)c3ccc(C#N)cc3)cc2OC)o1 ZINC000482200501 897678871 /nfs/dbraw/zinc/67/88/71/897678871.db2.gz TZXPPQNHWWEEHJ-MRXNPFEDSA-N 0 3 420.465 4.376 20 30 HIEDHN COc1ccc([C@@H](CCO)NCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000482571157 898167352 /nfs/dbraw/zinc/16/73/52/898167352.db2.gz GRDDVRYXUIRNMQ-RUZDIDTESA-N 0 3 402.494 4.359 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000482758513 898365237 /nfs/dbraw/zinc/36/52/37/898365237.db2.gz CAJRLQLSWBGLMI-UHFFFAOYSA-N 0 3 423.605 4.389 20 30 HIEDHN Cc1nc(COc2cccc(C(=O)C(C#N)c3cnc4ccccc4n3)c2)cs1 ZINC000483194604 898851600 /nfs/dbraw/zinc/85/16/00/898851600.db2.gz ILPOPMXSYQNJRD-SFHVURJKSA-N 0 3 400.463 4.464 20 30 HIEDHN C=C(C)[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000483306912 898937454 /nfs/dbraw/zinc/93/74/54/898937454.db2.gz UZBXKGVWLDTRJP-OAQYLSRUSA-N 0 3 403.473 4.481 20 30 HIEDHN C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](c1ccccc1)N(C)C ZINC000505634082 914333788 /nfs/dbraw/zinc/33/37/88/914333788.db2.gz QQGTZPMHCHDMLA-SBUREZEXSA-N 0 3 403.482 4.151 20 30 HIEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(C2CCCCC2)CC1 ZINC000486246166 901429840 /nfs/dbraw/zinc/42/98/40/901429840.db2.gz ZJYOQRFEPQHIDL-QGZVFWFLSA-N 0 3 414.619 4.166 20 30 HIEDHN Cc1cccc(N2CCN(CCC(=O)N[C@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000487567730 902244111 /nfs/dbraw/zinc/24/41/11/902244111.db2.gz FCFOZNUBCOGBCG-XMMPIXPASA-N 0 3 404.558 4.059 20 30 HIEDHN CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000487936953 902467500 /nfs/dbraw/zinc/46/75/00/902467500.db2.gz UTYVREIJMRQLHW-SFHVURJKSA-N 0 3 413.319 4.059 20 30 HIEDHN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](c1ccccc1)N(C)C ZINC000487997348 902519169 /nfs/dbraw/zinc/51/91/69/902519169.db2.gz VXBHSOQHOWWXSK-UGSOOPFHSA-N 0 3 401.308 4.134 20 30 HIEDHN CC(C)CCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457154 902833987 /nfs/dbraw/zinc/83/39/87/902833987.db2.gz AAQNJVQDUUITDL-DVECYGJZSA-N 0 3 405.542 4.435 20 30 HIEDHN CCOc1ccc([C@H](CC)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459962 902834921 /nfs/dbraw/zinc/83/49/21/902834921.db2.gz MAUWZTHIUYASJU-FCHUYYIVSA-N 0 3 421.541 4.197 20 30 HIEDHN CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471583 902842069 /nfs/dbraw/zinc/84/20/69/902842069.db2.gz CNWKWNIEQIPWSV-TZIWHRDSSA-N 0 3 413.974 4.473 20 30 HIEDHN C=CCC[C@@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000488652965 902922409 /nfs/dbraw/zinc/92/24/09/902922409.db2.gz DHQRRYROAKPJTF-HSZRJFAPSA-N 0 3 405.542 4.072 20 30 HIEDHN C=CCC[C@@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000488818517 903021701 /nfs/dbraw/zinc/02/17/01/903021701.db2.gz QTNNTNPQUNDJCB-HSZRJFAPSA-N 0 3 405.542 4.201 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000494027954 905369099 /nfs/dbraw/zinc/36/90/99/905369099.db2.gz JJPQDNNMKZHKJX-UHFFFAOYSA-N 0 3 409.353 4.221 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000512552140 921231348 /nfs/dbraw/zinc/23/13/48/921231348.db2.gz JQLUXPCAOUKXIF-UHFFFAOYSA-N 0 3 403.486 4.194 20 30 HIEDHN CS[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H]1N(C)C ZINC000495695383 906525239 /nfs/dbraw/zinc/52/52/39/906525239.db2.gz CGXWIIFCNRUGDE-UYAOXDASSA-N 0 3 415.946 4.122 20 30 HIEDHN COc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC(F)F ZINC000512589749 921251710 /nfs/dbraw/zinc/25/17/10/921251710.db2.gz AZVFCJINQJJATJ-UHFFFAOYSA-N 0 3 415.440 4.019 20 30 HIEDHN COc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCC(C)C ZINC000512617879 921263796 /nfs/dbraw/zinc/26/37/96/921263796.db2.gz PBZJJRBSQLJKMM-UHFFFAOYSA-N 0 3 421.541 4.452 20 30 HIEDHN C[C@H](NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625065 921266029 /nfs/dbraw/zinc/26/60/29/921266029.db2.gz LMFLGNQZWIUWIR-BTYIYWSLSA-N 0 3 421.438 4.440 20 30 HIEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1C ZINC000497378934 906867270 /nfs/dbraw/zinc/86/72/70/906867270.db2.gz QYYNRUNUDVIQHN-QHCPKHFHSA-N 0 3 415.541 4.113 20 30 HIEDHN CN1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](c2ccccc2)C1 ZINC000497403912 906882849 /nfs/dbraw/zinc/88/28/49/906882849.db2.gz NSENFXGYAIAVKW-DQEYMECFSA-N 0 3 411.505 4.373 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000497453634 906927909 /nfs/dbraw/zinc/92/79/09/906927909.db2.gz RUAQRELYVCGZLA-QHCPKHFHSA-N 0 3 409.578 4.216 20 30 HIEDHN N#Cc1ccc(Cl)c(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000512784429 921310641 /nfs/dbraw/zinc/31/06/41/921310641.db2.gz YCEZGPRVKQYYGS-UHFFFAOYSA-N 0 3 418.324 4.138 20 30 HIEDHN CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497901751 907374224 /nfs/dbraw/zinc/37/42/24/907374224.db2.gz WQVNASFHINMIQD-QHCPKHFHSA-N 0 3 407.558 4.429 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498358627 907856426 /nfs/dbraw/zinc/85/64/26/907856426.db2.gz HBQXLBQTHAQKRQ-DEOSSOPVSA-N 0 3 420.532 4.407 20 30 HIEDHN N#CC(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 ZINC000512973897 921447831 /nfs/dbraw/zinc/44/78/31/921447831.db2.gz BQWJJHQJPOZVDY-RTBURBONSA-N 0 3 405.479 4.253 20 30 HIEDHN C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370048 909818751 /nfs/dbraw/zinc/81/87/51/909818751.db2.gz ZXOQQAIYEIDSOK-MJGOQDMVSA-N 0 3 413.443 4.371 20 30 HIEDHN C=CCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501695837 910766154 /nfs/dbraw/zinc/76/61/54/910766154.db2.gz IHHBYMNEKGGTRF-HXUWFJFHSA-N 0 3 408.546 4.483 20 30 HIEDHN C=CCOc1ccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000501751785 910810775 /nfs/dbraw/zinc/81/07/75/910810775.db2.gz MBMBQDYCVQVYTF-FQEVSTJZSA-N 0 3 408.546 4.483 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000502152942 911075760 /nfs/dbraw/zinc/07/57/60/911075760.db2.gz CWUFMUJTDNZVDL-NFBKMPQASA-N 0 3 409.578 4.072 20 30 HIEDHN N#CCCn1cc(CN2CCC(N3CCc4ccccc43)CC2)c(-c2ccccc2)n1 ZINC000502323185 911299878 /nfs/dbraw/zinc/29/98/78/911299878.db2.gz UOWGUBGFYSIONW-UHFFFAOYSA-N 0 3 411.553 4.491 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506488745 915095394 /nfs/dbraw/zinc/09/53/94/915095394.db2.gz KSCJJCBNCAVPLE-XMMPIXPASA-N 0 3 423.557 4.133 20 30 HIEDHN CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000506889442 915684093 /nfs/dbraw/zinc/68/40/93/915684093.db2.gz NUMMRZYXTBMSJI-IBGZPJMESA-N 0 3 422.598 4.129 20 30 HIEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424204 916195138 /nfs/dbraw/zinc/19/51/38/916195138.db2.gz TVSHAOXNJJTBIJ-MGPUTAFESA-N 0 3 417.538 4.231 20 30 HIEDHN Cc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443406 916212951 /nfs/dbraw/zinc/21/29/51/916212951.db2.gz QXONWFPPIFRWCA-HRAATJIYSA-N 0 3 424.932 4.022 20 30 HIEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000507731339 916525398 /nfs/dbraw/zinc/52/53/98/916525398.db2.gz HVZCBEZUGQLUTO-UHFFFAOYSA-N 0 3 405.542 4.218 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000508604057 917373893 /nfs/dbraw/zinc/37/38/93/917373893.db2.gz LMIVHPADMDRWLB-UHFFFAOYSA-N 0 3 411.505 4.401 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CNCc2ccccc2Cn2cncn2)c1 ZINC000508724485 917486531 /nfs/dbraw/zinc/48/65/31/917486531.db2.gz SFWGEPREKNFGJS-UHFFFAOYSA-N 0 3 409.493 4.067 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2c(C#N)cnc3c(C)cc(C)cc32)[C@@H]1c1cnn(C)c1 ZINC000509601110 918250506 /nfs/dbraw/zinc/25/05/06/918250506.db2.gz OCEQJGPUGPBZDC-YADARESESA-N 0 3 416.573 4.366 20 30 HIEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252113 918787945 /nfs/dbraw/zinc/78/79/45/918787945.db2.gz DNZFFPQLMVDXDC-WTWLLKEWSA-N 0 3 401.551 4.064 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000510487361 918937649 /nfs/dbraw/zinc/93/76/49/918937649.db2.gz AZAFFYNSUVQGHZ-UHFFFAOYSA-N 0 3 417.553 4.362 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000510507282 918954345 /nfs/dbraw/zinc/95/43/45/918954345.db2.gz YMYWOIXBLLDUQQ-NRFANRHFSA-N 0 3 410.518 4.170 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511441924 920050810 /nfs/dbraw/zinc/05/08/10/920050810.db2.gz VYUKKDZBXSXLEZ-FQEVSTJZSA-N 0 3 413.459 4.326 20 30 HIEDHN N#CCCn1cc(C(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c2ccccc21 ZINC000511782160 920472801 /nfs/dbraw/zinc/47/28/01/920472801.db2.gz XEWBHLKLDQMIJI-NMVJMZGASA-N 0 3 413.521 4.242 20 30 HIEDHN CN(C(=O)c1cccs1)c1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000513659946 921983297 /nfs/dbraw/zinc/98/32/97/921983297.db2.gz IGMSKVCASIHHNN-INIZCTEOSA-N 0 3 414.490 4.401 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000517318627 924100441 /nfs/dbraw/zinc/10/04/41/924100441.db2.gz ZISSBFRKWBTGLR-SFHVURJKSA-N 0 3 403.567 4.131 20 30 HIEDHN C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)Cc1ccccc1 ZINC000517657495 926765697 /nfs/dbraw/zinc/76/56/97/926765697.db2.gz ZGGKQEFKTQMLKG-HXUWFJFHSA-N 0 3 413.521 4.388 20 30 HIEDHN C=CCOc1ccc(CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1Cl ZINC000518271557 927130257 /nfs/dbraw/zinc/13/02/57/927130257.db2.gz ZMEOSTZVFBIPRF-QFIPXVFZSA-N 0 3 400.950 4.376 20 30 HIEDHN CC(C)CN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000518372396 927225604 /nfs/dbraw/zinc/22/56/04/927225604.db2.gz SUVGGVUSKOZLPJ-UHFFFAOYSA-N 0 3 404.558 4.150 20 30 HIEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000521782149 929441642 /nfs/dbraw/zinc/44/16/42/929441642.db2.gz AKSYYVGREXVIOG-DEOSSOPVSA-N 0 3 404.558 4.390 20 30 HIEDHN N#CC(C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc2ccccc2n1C(F)F ZINC000531438679 931057871 /nfs/dbraw/zinc/05/78/71/931057871.db2.gz NRDRCGBXMOVWNC-INIZCTEOSA-N 0 3 422.366 4.211 20 30 HIEDHN CC(C)(C#N)CCCN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000532412750 931426742 /nfs/dbraw/zinc/42/67/42/931426742.db2.gz MPGNZYHSWOHWJU-FQEVSTJZSA-N 0 3 406.498 4.377 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000532976278 931722937 /nfs/dbraw/zinc/72/29/37/931722937.db2.gz DGISLVYOOZCMJN-RUDSSYLZSA-N 0 3 410.606 4.135 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2Br)CC1 ZINC000535324326 933072615 /nfs/dbraw/zinc/07/26/15/933072615.db2.gz COKXUQWGIXMRID-UHFFFAOYSA-N 0 3 422.245 4.120 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000535466564 933156176 /nfs/dbraw/zinc/15/61/76/933156176.db2.gz SZRHWBGCYOQDOT-DQEYMECFSA-N 0 3 411.505 4.312 20 30 HIEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535664571 933308376 /nfs/dbraw/zinc/30/83/76/933308376.db2.gz BNDAYQCDMYFCLV-SFHVURJKSA-N 0 3 411.575 4.394 20 30 HIEDHN COc1ccc([C@H](NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000538143912 938519510 /nfs/dbraw/zinc/51/95/10/938519510.db2.gz KTKMHNXSXBIKLP-JOCHJYFZSA-N 0 3 418.459 4.169 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176515 938538094 /nfs/dbraw/zinc/53/80/94/938538094.db2.gz TWESIHHFWBYJPA-LPHOPBHVSA-N 0 3 400.544 4.163 20 30 HIEDHN N#CCCN(C(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231481 938566251 /nfs/dbraw/zinc/56/62/51/938566251.db2.gz PIUDJFZPUMQTGQ-GCJKJVERSA-N 0 3 411.933 4.344 20 30 HIEDHN N#CCCN(C(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231480 938566597 /nfs/dbraw/zinc/56/65/97/938566597.db2.gz PIUDJFZPUMQTGQ-AVRDEDQJSA-N 0 3 411.933 4.344 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000538323711 938592582 /nfs/dbraw/zinc/59/25/82/938592582.db2.gz SLAKANMQJCBRTM-SFHVURJKSA-N 0 3 412.843 4.055 20 30 HIEDHN N#CC1(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)CCCC1 ZINC000538933335 938740617 /nfs/dbraw/zinc/74/06/17/938740617.db2.gz RXTGWYXNDBOYSD-UHFFFAOYSA-N 0 3 402.542 4.074 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1C ZINC000539333901 938843594 /nfs/dbraw/zinc/84/35/94/938843594.db2.gz JKMCIGYVKKTRLR-GMAHTHKFSA-N 0 3 405.542 4.308 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491354 938867921 /nfs/dbraw/zinc/86/79/21/938867921.db2.gz QJZISTWVXJNPPC-KSFYIVLOSA-N 0 3 412.555 4.163 20 30 HIEDHN C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1cccc(C#N)c1 ZINC000539511461 938871028 /nfs/dbraw/zinc/87/10/28/938871028.db2.gz XKDVUZWSGKZNMA-OAHLLOKOSA-N 0 3 400.320 4.008 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000539583477 938883547 /nfs/dbraw/zinc/88/35/47/938883547.db2.gz SBQWLWHGQSQKAU-UHFFFAOYSA-N 0 3 405.258 4.238 20 30 HIEDHN N#CC1(c2ccc(C(=O)Nc3ccnn3[C@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC000539666814 938897379 /nfs/dbraw/zinc/89/73/79/938897379.db2.gz SGXHBXIZPZKUCS-QFIPXVFZSA-N 0 3 411.509 4.138 20 30 HIEDHN C=CCC[C@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 ZINC000540459711 939260798 /nfs/dbraw/zinc/26/07/98/939260798.db2.gz XYXBHYZJWOJZJJ-QFIPXVFZSA-N 0 3 423.582 4.111 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000541555337 939554573 /nfs/dbraw/zinc/55/45/73/939554573.db2.gz YGBYYASFQQFDNI-NRFANRHFSA-N 0 3 406.526 4.155 20 30 HIEDHN N#Cc1cnn2c1NC[C@@H](CN[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756478 945285819 /nfs/dbraw/zinc/28/58/19/945285819.db2.gz VWEWMOLVAWFDBW-VLIAUNLRSA-N 0 3 412.324 4.482 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN[C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000543503584 940087864 /nfs/dbraw/zinc/08/78/64/940087864.db2.gz CXRZYOPXUXQNEX-KRWDZBQOSA-N 0 3 422.533 4.075 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)N1CCC(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543822513 940198738 /nfs/dbraw/zinc/19/87/38/940198738.db2.gz YEZFIRQEJDFUCB-LJQANCHMSA-N 0 3 410.484 4.424 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000544269633 940374287 /nfs/dbraw/zinc/37/42/87/940374287.db2.gz XHUXNGSQBWKQHC-UHFFFAOYSA-N 0 3 419.554 4.201 20 30 HIEDHN N#Cc1ccccc1CSCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000549695296 941204887 /nfs/dbraw/zinc/20/48/87/941204887.db2.gz ZPJCYCVJRKFFQQ-UHFFFAOYSA-N 0 3 401.963 4.071 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)CC2)cc1 ZINC000552125161 941589857 /nfs/dbraw/zinc/58/98/57/941589857.db2.gz LFCVRTAPPKALPM-QHCPKHFHSA-N 0 3 421.491 4.331 20 30 HIEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276726 941621021 /nfs/dbraw/zinc/62/10/21/941621021.db2.gz HWJMLUOMLGLCFV-WOJBJXKFSA-N 0 3 417.431 4.299 20 30 HIEDHN COc1cccc(OC(F)(F)F)c1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000552337381 941637353 /nfs/dbraw/zinc/63/73/53/941637353.db2.gz RYVDESYPKJWDPQ-UHFFFAOYSA-N 0 3 405.420 4.224 20 30 HIEDHN COc1ccc(C[C@H](NCCn2cnc(C#N)n2)c2cc(Cl)ccc2Cl)cc1 ZINC000556925025 942968601 /nfs/dbraw/zinc/96/86/01/942968601.db2.gz XZYISIRPXLZACO-IBGZPJMESA-N 0 3 416.312 4.039 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000557027458 942998305 /nfs/dbraw/zinc/99/83/05/942998305.db2.gz GNNXEPMMDGKXJQ-UHFFFAOYSA-N 0 3 418.453 4.207 20 30 HIEDHN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000558759479 943648872 /nfs/dbraw/zinc/64/88/72/943648872.db2.gz FJDMSIXJPPSQEH-IBGZPJMESA-N 0 3 405.542 4.091 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 ZINC000559687422 944029808 /nfs/dbraw/zinc/02/98/08/944029808.db2.gz YJNAUIDEXDKJGX-NHCUHLMSSA-N 0 3 417.538 4.172 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000560055042 944142831 /nfs/dbraw/zinc/14/28/31/944142831.db2.gz DLRYGYAOPOQGQC-LJQANCHMSA-N 0 3 414.377 4.411 20 30 HIEDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000560246565 944206126 /nfs/dbraw/zinc/20/61/26/944206126.db2.gz STYQRKLFHOLQBS-DEOSSOPVSA-N 0 3 415.493 4.392 20 30 HIEDHN N#Cc1c(NC(=O)CCN[C@@H](CCO)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000561917883 944855563 /nfs/dbraw/zinc/85/55/63/944855563.db2.gz OXAWURXUCICIOE-SFHVURJKSA-N 0 3 417.962 4.194 20 30 HIEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046588 944909629 /nfs/dbraw/zinc/90/96/29/944909629.db2.gz JAXILJLLMLGKKJ-BUKVSMQUSA-N 0 3 422.598 4.251 20 30 HIEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382417 945544791 /nfs/dbraw/zinc/54/47/91/945544791.db2.gz SRDTZBKAGDCZEP-GOTSBHOMSA-N 0 3 403.526 4.288 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000564395090 945552783 /nfs/dbraw/zinc/55/27/83/945552783.db2.gz IOYPUNJLFHSYPE-VWNXMTODSA-N 0 3 424.976 4.239 20 30 HIEDHN CC(C)([C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000567415720 946331396 /nfs/dbraw/zinc/33/13/96/946331396.db2.gz NYCRZRFSKXUEQA-QFIPXVFZSA-N 0 3 415.459 4.250 20 30 HIEDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000571848425 947804452 /nfs/dbraw/zinc/80/44/52/947804452.db2.gz VOCSLACOVRWLIA-MRVPVSSYSA-N 0 3 424.219 4.024 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000573591673 948244878 /nfs/dbraw/zinc/24/48/78/948244878.db2.gz SSJHMJIWESIUCD-QHCPKHFHSA-N 0 3 409.578 4.389 20 30 HIEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909890 721551423 /nfs/dbraw/zinc/55/14/23/721551423.db2.gz VDLGEOZVZMWZSK-AEFFLSMTSA-N 0 3 422.891 4.241 20 30 HIEDHN Cc1oc(C#N)cc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000436162699 861463788 /nfs/dbraw/zinc/46/37/88/861463788.db2.gz TXBOKEUTXPLRLA-UHFFFAOYSA-N 0 3 414.509 4.077 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342679 861654173 /nfs/dbraw/zinc/65/41/73/861654173.db2.gz VCXJMVUYVUOBPE-JWQCQUIFSA-N 0 3 416.569 4.129 20 30 HIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000026311344 847122911 /nfs/dbraw/zinc/12/29/11/847122911.db2.gz OHJRFHWCDPGXCQ-SFHVURJKSA-N 0 3 402.560 4.133 20 30 HIEDHN Cc1cc(C(C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041561474 848233741 /nfs/dbraw/zinc/23/37/41/848233741.db2.gz GITQPTVXYVQHLR-MRXNPFEDSA-N 0 3 400.442 4.169 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000045233710 848649707 /nfs/dbraw/zinc/64/97/07/848649707.db2.gz XQOZWOCHCPBUSD-FQEVSTJZSA-N 0 3 412.534 4.008 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000045625724 848704663 /nfs/dbraw/zinc/70/46/63/848704663.db2.gz JSTCYNMYTVBCTR-INIZCTEOSA-N 0 3 418.463 4.411 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cn2cc(Cl)ccc2n1 ZINC000052485704 849586895 /nfs/dbraw/zinc/58/68/95/849586895.db2.gz HMQQFBKTEFVWQO-UHFFFAOYSA-N 0 3 416.982 4.086 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000056853652 850504024 /nfs/dbraw/zinc/50/40/24/850504024.db2.gz MAPBQYJPJICQTI-MRXNPFEDSA-N 0 3 418.463 4.411 20 30 HIEDHN C=CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000063300268 851654924 /nfs/dbraw/zinc/65/49/24/851654924.db2.gz ZDXFZDGOTYWPAW-UHFFFAOYSA-N 0 3 413.525 4.378 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c(Cl)cccc1Cl ZINC000065518696 852165226 /nfs/dbraw/zinc/16/52/26/852165226.db2.gz DQKMFGJLMYUZQZ-UHFFFAOYSA-N 0 3 419.356 4.181 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000065930001 852320711 /nfs/dbraw/zinc/32/07/11/852320711.db2.gz YQBJTFAXCWUWDQ-UHFFFAOYSA-N 0 3 401.963 4.035 20 30 HIEDHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930978 852322699 /nfs/dbraw/zinc/32/26/99/852322699.db2.gz PICYLISFJMSCNN-UHFFFAOYSA-N 0 3 422.529 4.333 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000109700211 853001638 /nfs/dbraw/zinc/00/16/38/853001638.db2.gz VGSXOHFTWOVQAY-UHFFFAOYSA-N 0 3 416.550 4.308 20 30 HIEDHN CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000115990103 853276797 /nfs/dbraw/zinc/27/67/97/853276797.db2.gz RLTSVKVGMLJSAV-WMZHIEFXSA-N 0 3 407.583 4.475 20 30 HIEDHN CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3OC)n2)cc1 ZINC000138696209 853394013 /nfs/dbraw/zinc/39/40/13/853394013.db2.gz TWBLWXPHSQVHIO-KRWDZBQOSA-N 0 3 405.479 4.342 20 30 HIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 ZINC000138696209 853394022 /nfs/dbraw/zinc/39/40/22/853394022.db2.gz TWBLWXPHSQVHIO-KRWDZBQOSA-N 0 3 405.479 4.342 20 30 HIEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCOCc1ccccc1 ZINC000140312646 853441213 /nfs/dbraw/zinc/44/12/13/853441213.db2.gz VMVSELMTEUKOMG-KRWDZBQOSA-N 0 3 414.889 4.301 20 30 HIEDHN COc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1OCCCC#N ZINC000147196503 853584168 /nfs/dbraw/zinc/58/41/68/853584168.db2.gz JFDMHONGGJCHPZ-GOSISDBHSA-N 0 3 407.514 4.355 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000195720220 853777691 /nfs/dbraw/zinc/77/76/91/853777691.db2.gz UYYKSJWZGYXHTA-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN N#Cc1ccc2ncc(CNCc3ccccc3-c3ccc(Cn4ccnc4)cc3)n2c1 ZINC000237857008 854109538 /nfs/dbraw/zinc/10/95/38/854109538.db2.gz HACVIEAXLOXASY-UHFFFAOYSA-N 0 3 418.504 4.408 20 30 HIEDHN CN1CCC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693237 854446336 /nfs/dbraw/zinc/44/63/36/854446336.db2.gz ZNQSMSZOMDKFSL-DOTOQJQBSA-N 0 3 419.407 4.375 20 30 HIEDHN COc1ccc([C@H](CNc2ccc(C#N)cc2Br)N(C)C)cc1OC ZINC000302601020 854590678 /nfs/dbraw/zinc/59/06/78/854590678.db2.gz YIYFRLZOSYXVJN-KRWDZBQOSA-N 0 3 404.308 4.053 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CC1 ZINC000303244287 854832800 /nfs/dbraw/zinc/83/28/00/854832800.db2.gz DCAWCAYCOIMGBK-UHFFFAOYSA-N 0 3 409.559 4.121 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccc(OCC)c(OCC)c2)C(C)C)CC1 ZINC000303303842 854862116 /nfs/dbraw/zinc/86/21/16/854862116.db2.gz NIZUXBIMRAFANI-JOCHJYFZSA-N 0 3 403.567 4.131 20 30 HIEDHN N#CC(C(=O)c1cnn(-c2cccc(Br)c2)c1)c1nc2ccccc2[nH]1 ZINC000303317719 854869491 /nfs/dbraw/zinc/86/94/91/854869491.db2.gz QOSYTELCUFSVTF-OAHLLOKOSA-N 0 3 406.243 4.001 20 30 HIEDHN CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N)N(C)C ZINC000303435901 854936611 /nfs/dbraw/zinc/93/66/11/854936611.db2.gz DKKVDXQGQFZTMN-SFHVURJKSA-N 0 3 420.406 4.015 20 30 HIEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(COc3ccccc3C#N)c2)o1 ZINC000303631765 855089551 /nfs/dbraw/zinc/08/95/51/855089551.db2.gz YTYYUWLZTCVMLL-UHFFFAOYSA-N 0 3 417.509 4.243 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000303744829 855167543 /nfs/dbraw/zinc/16/75/43/855167543.db2.gz ZIULOHJSZPOXFW-IOJLRTSASA-N 0 3 414.619 4.073 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(CCc2ccccc2)n1 ZINC000409787345 855654284 /nfs/dbraw/zinc/65/42/84/855654284.db2.gz CPWZLYAYMIYUAR-UHFFFAOYSA-N 0 3 418.566 4.004 20 30 HIEDHN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000410368284 855955093 /nfs/dbraw/zinc/95/50/93/855955093.db2.gz ADKQECAZOFVIFQ-OAHLLOKOSA-N 0 3 420.340 4.223 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncccc1C(F)(F)F ZINC000428064818 857060151 /nfs/dbraw/zinc/06/01/51/857060151.db2.gz RGGQNFORYLMLCI-UHFFFAOYSA-N 0 3 411.497 4.199 20 30 HIEDHN CN(Cc1cccc(C#N)c1)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429502823 857701504 /nfs/dbraw/zinc/70/15/04/857701504.db2.gz KKHKFABAUUOBLM-HSZRJFAPSA-N 0 3 404.558 4.173 20 30 HIEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)nc1 ZINC000430157236 858057214 /nfs/dbraw/zinc/05/72/14/858057214.db2.gz PSRXTLFSWRHERW-DEOSSOPVSA-N 0 3 410.477 4.057 20 30 HIEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)nc1 ZINC000430185463 858071580 /nfs/dbraw/zinc/07/15/80/858071580.db2.gz HOBIUTZUBZUXDP-DEOSSOPVSA-N 0 3 410.477 4.057 20 30 HIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc3c(c(Br)c2)OCO3)s1 ZINC000430612551 858236053 /nfs/dbraw/zinc/23/60/53/858236053.db2.gz RSKJGRRFVSEBOO-SNVBAGLBSA-N 0 3 407.289 4.422 20 30 HIEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000431734265 858773184 /nfs/dbraw/zinc/77/31/84/858773184.db2.gz VZRBIXMOEQACDG-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000433025065 859485841 /nfs/dbraw/zinc/48/58/41/859485841.db2.gz HBIHCWRAFQOGDZ-XMMPIXPASA-N 0 3 405.542 4.219 20 30 HIEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCc1ccc(C#N)cc1 ZINC000434322679 860283410 /nfs/dbraw/zinc/28/34/10/860283410.db2.gz WXEQVGPQYGUSBN-HSZRJFAPSA-N 0 3 413.525 4.082 20 30 HIEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000434324312 860284801 /nfs/dbraw/zinc/28/48/01/860284801.db2.gz CKLZEUZGIIZKIQ-SFHVURJKSA-N 0 3 421.451 4.041 20 30 HIEDHN N#CCCn1cc(CN2CCC(OCCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435129551 860654275 /nfs/dbraw/zinc/65/42/75/860654275.db2.gz KMQVOMRZIMJLAU-UHFFFAOYSA-N 0 3 415.541 4.082 20 30 HIEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435153717 860667538 /nfs/dbraw/zinc/66/75/38/860667538.db2.gz MXUUISXUGUSQDA-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435293236 860723013 /nfs/dbraw/zinc/72/30/13/860723013.db2.gz WNXQBFFAJBLAOV-SFHVURJKSA-N 0 3 421.451 4.041 20 30 HIEDHN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)cc2Cl)cc1 ZINC000437897000 863266788 /nfs/dbraw/zinc/26/67/88/863266788.db2.gz NEAKOKIDICJVSC-SFHVURJKSA-N 0 3 408.889 4.482 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000438479917 863897439 /nfs/dbraw/zinc/89/74/39/863897439.db2.gz QRBMUMBTHKZACG-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CN1C1CC1 ZINC000441290048 866364015 /nfs/dbraw/zinc/36/40/15/866364015.db2.gz WWCDYCFVBLONCF-VGSWGCGISA-N 0 3 406.505 4.034 20 30 HIEDHN CC(C)(C)Cc1nc(-c2cccc(C(=O)C(C#N)c3nnc4n3CCCCC4)c2)no1 ZINC000442672677 867606880 /nfs/dbraw/zinc/60/68/80/867606880.db2.gz OTEMHEXLKRWAGY-QGZVFWFLSA-N 0 3 418.501 4.133 20 30 HIEDHN N#Cc1ccc(C(F)(F)F)nc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000443943166 868479027 /nfs/dbraw/zinc/47/90/27/868479027.db2.gz RAWSMKRSBKFPKN-UHFFFAOYSA-N 0 3 408.399 4.066 20 30 HIEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000444030711 868562653 /nfs/dbraw/zinc/56/26/53/868562653.db2.gz GFOWLJBDWMNBNZ-UHFFFAOYSA-N 0 3 410.518 4.411 20 30 HIEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273490 868710327 /nfs/dbraw/zinc/71/03/27/868710327.db2.gz PWTUMHPRHZAZJT-WMZHIEFXSA-N 0 3 400.526 4.195 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN[C@@H](C)c2cccc(O)c2)c1C#N ZINC000444750717 868987081 /nfs/dbraw/zinc/98/70/81/868987081.db2.gz IPTGILRTWBHXLW-INIZCTEOSA-N 0 3 406.486 4.003 20 30 HIEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444784865 869003219 /nfs/dbraw/zinc/00/32/19/869003219.db2.gz PFQCBHOPGSNYMT-NRFANRHFSA-N 0 3 406.526 4.484 20 30 HIEDHN CC(C)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468511481 882512222 /nfs/dbraw/zinc/51/22/22/882512222.db2.gz MLLQCJBOVYFJSJ-JOCHJYFZSA-N 0 3 414.500 4.307 20 30 HIEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460367216 873001621 /nfs/dbraw/zinc/00/16/21/873001621.db2.gz ASWOFQJXTGOCHQ-KRXUUXHPSA-N 0 3 409.578 4.018 20 30 HIEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460771142 873620004 /nfs/dbraw/zinc/62/00/04/873620004.db2.gz UCWMZHOVAOLTPQ-NFBKMPQASA-N 0 3 423.605 4.086 20 30 HIEDHN CC1(C)CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCN1Cc1ccccc1 ZINC000462827734 875864578 /nfs/dbraw/zinc/86/45/78/875864578.db2.gz JASIWJSJXDSFMB-UHFFFAOYSA-N 0 3 401.470 4.115 20 30 HIEDHN Cc1nc(-c2cccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)cs1 ZINC000463122588 876164983 /nfs/dbraw/zinc/16/49/83/876164983.db2.gz JTLONESUIOAEPP-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463814673 876929614 /nfs/dbraw/zinc/92/96/14/876929614.db2.gz OPIJOQMANCORSP-UHFFFAOYSA-N 0 3 411.374 4.059 20 30 HIEDHN N#CC(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464415398 877621989 /nfs/dbraw/zinc/62/19/89/877621989.db2.gz WNNNUOFLJDMWJP-LLVKDONJSA-N 0 3 421.272 4.265 20 30 HIEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000464746846 877979760 /nfs/dbraw/zinc/97/97/60/877979760.db2.gz HBNDDEPLVZYTJV-PMACEKPBSA-N 0 3 421.541 4.278 20 30 HIEDHN CC(C)[C@H](Cc1ccc(F)cc1)N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000464788432 878035461 /nfs/dbraw/zinc/03/54/61/878035461.db2.gz JWTDDQGTAKWYGP-QFIPXVFZSA-N 0 3 419.504 4.021 20 30 HIEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464903276 878217473 /nfs/dbraw/zinc/21/74/73/878217473.db2.gz VNICPPAJPRVPDQ-RDPSFJRHSA-N 0 3 405.542 4.085 20 30 HIEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(Br)cc1OC ZINC000469753995 883916301 /nfs/dbraw/zinc/91/63/01/883916301.db2.gz WIBLOOWMVNQRTE-CYBMUJFWSA-N 0 3 405.292 4.068 20 30 HIEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025341 884243926 /nfs/dbraw/zinc/24/39/26/884243926.db2.gz VPEDRKYBXVMEAK-MRXNPFEDSA-N 0 3 404.297 4.347 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(-c2ccc(C)cc2)o1 ZINC000503993899 912902641 /nfs/dbraw/zinc/90/26/41/912902641.db2.gz LSSLFHIRJWWKJO-UHFFFAOYSA-N 0 3 424.574 4.143 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1noc(-c2ccccc2C)n1 ZINC000471243604 885820076 /nfs/dbraw/zinc/82/00/76/885820076.db2.gz LMFJURAPKKNOIC-UHFFFAOYSA-N 0 3 424.574 4.143 20 30 HIEDHN N#CCC[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000472049189 886863046 /nfs/dbraw/zinc/86/30/46/886863046.db2.gz PUTUEJPQHMCNOM-ACBHZAAOSA-N 0 3 408.468 4.136 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)CC1 ZINC000472853782 887709415 /nfs/dbraw/zinc/70/94/15/887709415.db2.gz SCYRBGCHTQYRMQ-UHFFFAOYSA-N 0 3 415.925 4.429 20 30 HIEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000473525776 888263644 /nfs/dbraw/zinc/26/36/44/888263644.db2.gz ZVNRELFPVDORTA-UHFFFAOYSA-N 0 3 412.349 4.380 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCCc1ccc(Cl)s1 ZINC000504458208 913263333 /nfs/dbraw/zinc/26/33/33/913263333.db2.gz MMHQOQLGIXAANP-UHFFFAOYSA-N 0 3 418.994 4.369 20 30 HIEDHN Cc1ccc(SC[C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000474357367 889235214 /nfs/dbraw/zinc/23/52/14/889235214.db2.gz XLVJVCFEQQXECV-LJQANCHMSA-N 0 3 410.587 4.121 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000476942548 891883265 /nfs/dbraw/zinc/88/32/65/891883265.db2.gz MAQFHGFMVJZUOX-LJQANCHMSA-N 0 3 424.358 4.379 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458919 894780176 /nfs/dbraw/zinc/78/01/76/894780176.db2.gz UYJGEZRYHXBQAJ-LEWJYISDSA-N 0 3 424.342 4.089 20 30 HIEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](c1ccccc1)N(C)C ZINC000480347118 895753517 /nfs/dbraw/zinc/75/35/17/895753517.db2.gz IUNOXDRDOBMPDG-BTYIYWSLSA-N 0 3 422.920 4.210 20 30 HIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481737167 897131548 /nfs/dbraw/zinc/13/15/48/897131548.db2.gz OMHBPSWLCQVLCV-DHIUTWEWSA-N 0 3 422.573 4.147 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000482288325 897783466 /nfs/dbraw/zinc/78/34/66/897783466.db2.gz KLMJMQSXAAWPQF-LJQANCHMSA-N 0 3 410.484 4.143 20 30 HIEDHN C[C@H](Cn1ncc2ccccc2c1=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482661702 898264958 /nfs/dbraw/zinc/26/49/58/898264958.db2.gz JTLZZXREIXIQRE-LJQANCHMSA-N 0 3 424.504 4.025 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000482812086 898423098 /nfs/dbraw/zinc/42/30/98/898423098.db2.gz LDKPTSKCDFUMER-HXUWFJFHSA-N 0 3 403.448 4.185 20 30 HIEDHN CCCC[C@@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088266 898773585 /nfs/dbraw/zinc/77/35/85/898773585.db2.gz KNCYZGXTIOPNMI-WOJBJXKFSA-N 0 3 406.368 4.253 20 30 HIEDHN N#CC(C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1cnc2ccccc2n1 ZINC000483234477 898878540 /nfs/dbraw/zinc/87/85/40/898878540.db2.gz MEQANEPZCFHIHK-IBGZPJMESA-N 0 3 408.417 4.011 20 30 HIEDHN C=CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484613771 900070845 /nfs/dbraw/zinc/07/08/45/900070845.db2.gz BSQQTZUQULQJJH-NRFANRHFSA-N 0 3 400.563 4.436 20 30 HIEDHN COCCCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CCN(C)CC1 ZINC000484861636 900252854 /nfs/dbraw/zinc/25/28/54/900252854.db2.gz TXGRNVYYVBDRIJ-UHFFFAOYSA-N 0 3 421.541 4.118 20 30 HIEDHN CCCCn1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C(C)C ZINC000485152591 900451629 /nfs/dbraw/zinc/45/16/29/900451629.db2.gz OQMBNDGXBDWGQC-UHFFFAOYSA-N 0 3 410.566 4.274 20 30 HIEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(C2CCCCC2)CC1 ZINC000486246165 901429970 /nfs/dbraw/zinc/42/99/70/901429970.db2.gz ZJYOQRFEPQHIDL-KRWDZBQOSA-N 0 3 414.619 4.166 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccccc4F)s3)C2=O)cc1 ZINC000486882862 901929762 /nfs/dbraw/zinc/92/97/62/901929762.db2.gz QFSSCZJPUSXKSU-OAQYLSRUSA-N 0 3 405.498 4.317 20 30 HIEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505394 902860895 /nfs/dbraw/zinc/86/08/95/902860895.db2.gz YRQFQOUGPKGKBT-VQTJNVASSA-N 0 3 412.331 4.163 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1 ZINC000489260655 903295496 /nfs/dbraw/zinc/29/54/96/903295496.db2.gz TXYRDNUUWGTDQN-UHFFFAOYSA-N 0 3 402.445 4.314 20 30 HIEDHN C=CCN1CCC(N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491041268 904392173 /nfs/dbraw/zinc/39/21/73/904392173.db2.gz TYPCAZKLXSOOJI-JOCHJYFZSA-N 0 3 418.990 4.073 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000492076867 904790815 /nfs/dbraw/zinc/79/08/15/904790815.db2.gz BHLCEMWRDMSYED-NZQKXSOJSA-N 0 3 404.514 4.004 20 30 HIEDHN Cn1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000506248285 914862257 /nfs/dbraw/zinc/86/22/57/914862257.db2.gz WGUBBIHYLZQUIN-UHFFFAOYSA-N 0 3 419.960 4.320 20 30 HIEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000496027995 906599915 /nfs/dbraw/zinc/59/99/15/906599915.db2.gz JSCFLAVRKAXLKN-UHFFFAOYSA-N 0 3 413.521 4.341 20 30 HIEDHN N#Cc1ccccc1OCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000497584722 907067426 /nfs/dbraw/zinc/06/74/26/907067426.db2.gz ILHVLVNADOCENL-UHFFFAOYSA-N 0 3 403.448 4.164 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000499043093 908415757 /nfs/dbraw/zinc/41/57/57/908415757.db2.gz JYKLLUCNDXBKGO-WOJBJXKFSA-N 0 3 415.459 4.271 20 30 HIEDHN N#Cc1ccc(CN2CCCN(CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000501195756 910359197 /nfs/dbraw/zinc/35/91/97/910359197.db2.gz CJWJQFGLZNGCDA-UHFFFAOYSA-N 0 3 403.448 4.164 20 30 HIEDHN Cc1ccc([C@@H](OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317430 914913030 /nfs/dbraw/zinc/91/30/30/914913030.db2.gz YXEGXZXFUXBCEA-FTJBHMTQSA-N 0 3 400.522 4.466 20 30 HIEDHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc(OCCCC#N)c3)CC2)cc1F ZINC000507139333 915886190 /nfs/dbraw/zinc/88/61/90/915886190.db2.gz AWXDYQDRJRIECB-UHFFFAOYSA-N 0 3 423.532 4.345 20 30 HIEDHN Cc1sc(Br)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000507545967 916302330 /nfs/dbraw/zinc/30/23/30/916302330.db2.gz OBTOCUCHNOKKFG-UHFFFAOYSA-N 0 3 420.376 4.203 20 30 HIEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000508863184 917617031 /nfs/dbraw/zinc/61/70/31/917617031.db2.gz IWGUKZVILCALFY-QFIPXVFZSA-N 0 3 402.546 4.017 20 30 HIEDHN C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508888501 917643920 /nfs/dbraw/zinc/64/39/20/917643920.db2.gz NXUVKIGQQNOPRR-SFHVURJKSA-N 0 3 413.541 4.198 20 30 HIEDHN C=CCOc1ccc(CNC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1 ZINC000513600825 921934490 /nfs/dbraw/zinc/93/44/90/921934490.db2.gz JFLPJMZNUJCINI-UHFFFAOYSA-N 0 3 408.546 4.023 20 30 HIEDHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)C(C#N)c1nc2ccccc2n1C ZINC000513670973 921994157 /nfs/dbraw/zinc/99/41/57/921994157.db2.gz FEFZMEJKLJSMHV-SFHVURJKSA-N 0 3 420.476 4.495 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000514246067 922586616 /nfs/dbraw/zinc/58/66/16/922586616.db2.gz GWSIRXDXLYZFSW-UHFFFAOYSA-N 0 3 413.459 4.326 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOc1c(C)cccc1C ZINC000514874274 922827237 /nfs/dbraw/zinc/82/72/37/922827237.db2.gz JUYIDMKLHQLNJZ-UHFFFAOYSA-N 0 3 400.592 4.280 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)s2)cc1 ZINC000516238906 923621808 /nfs/dbraw/zinc/62/18/08/923621808.db2.gz ILDRTWFVUNIWMZ-OAQYLSRUSA-N 0 3 416.550 4.456 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000518022673 926962015 /nfs/dbraw/zinc/96/20/15/926962015.db2.gz OQSUPCSYHWUXIW-KRWDZBQOSA-N 0 3 424.520 4.089 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000518515351 927319854 /nfs/dbraw/zinc/31/98/54/927319854.db2.gz XSMJBRPJOZGNQQ-UHFFFAOYSA-N 0 3 406.530 4.409 20 30 HIEDHN Cc1nc(-c2ccc(NC(=O)C(C#N)c3nc4ccccc4s3)cc2)cc(=O)[nH]1 ZINC000519292632 927865888 /nfs/dbraw/zinc/86/58/88/927865888.db2.gz CPMAMMLVSYXUTB-HNNXBMFYSA-N 0 3 401.451 4.013 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000520053246 928278463 /nfs/dbraw/zinc/27/84/63/928278463.db2.gz SROAQXIGXOJDTN-UHFFFAOYSA-N 0 3 408.546 4.374 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c32)CC1 ZINC000520687014 928735385 /nfs/dbraw/zinc/73/53/85/928735385.db2.gz TXNLFVYLRHLIRN-UHFFFAOYSA-N 0 3 420.488 4.287 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000524800396 929834364 /nfs/dbraw/zinc/83/43/64/929834364.db2.gz QJTFZGYWEHFFAA-UHFFFAOYSA-N 0 3 410.949 4.017 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000525244373 930103037 /nfs/dbraw/zinc/10/30/37/930103037.db2.gz PBQLGKVFKBUGCC-OALUTQOASA-N 0 3 409.530 4.468 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000530515689 930733951 /nfs/dbraw/zinc/73/39/51/930733951.db2.gz KFBHIPIITCUYOM-HKUYNNGSSA-N 0 3 418.419 4.066 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532519514 931472456 /nfs/dbraw/zinc/47/24/56/931472456.db2.gz AKUFIXACTNDJBA-LJQANCHMSA-N 0 3 411.889 4.149 20 30 HIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000533436171 931868605 /nfs/dbraw/zinc/86/86/05/931868605.db2.gz FKUSQBFTEWRTHR-NSHDSACASA-N 0 3 404.146 4.437 20 30 HIEDHN CC(C)(C)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000533486850 931882594 /nfs/dbraw/zinc/88/25/94/931882594.db2.gz DVFLKVDEYBREBR-OAQYLSRUSA-N 0 3 405.477 4.199 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1ccccc1 ZINC000533812668 932043068 /nfs/dbraw/zinc/04/30/68/932043068.db2.gz KSHSUZHYKSFVHR-QHCPKHFHSA-N 0 3 413.521 4.448 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000533813115 932043299 /nfs/dbraw/zinc/04/32/99/932043299.db2.gz CCPCQIACTWANMF-XMMPIXPASA-N 0 3 413.521 4.040 20 30 HIEDHN N#Cc1cc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000537587266 938329404 /nfs/dbraw/zinc/32/94/04/938329404.db2.gz RDFOZHHWLMCYAN-UHFFFAOYSA-N 0 3 418.324 4.138 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)[C@@H](C)c2cccnc2)c1C#N ZINC000537900748 938404971 /nfs/dbraw/zinc/40/49/71/938404971.db2.gz SAQRBVXSHAHCOM-SFHVURJKSA-N 0 3 405.502 4.035 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000538031935 938473583 /nfs/dbraw/zinc/47/35/83/938473583.db2.gz MNRBWOXROAUIBT-UHFFFAOYSA-N 0 3 416.349 4.181 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000538266819 938579019 /nfs/dbraw/zinc/57/90/19/938579019.db2.gz MKOTXHDQTDWURB-FQEVSTJZSA-N 0 3 415.541 4.395 20 30 HIEDHN N#Cc1ccsc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000538931342 938740051 /nfs/dbraw/zinc/74/00/51/938740051.db2.gz HXSNHXDHYOSKTA-UHFFFAOYSA-N 0 3 416.550 4.237 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000539334434 938843534 /nfs/dbraw/zinc/84/35/34/938843534.db2.gz WTWXSBZINNSRGE-URXFXBBRSA-N 0 3 405.542 4.308 20 30 HIEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000540376079 939216017 /nfs/dbraw/zinc/21/60/17/939216017.db2.gz ODPHYJQKRBEZJX-CQSZACIVSA-N 0 3 412.515 4.476 20 30 HIEDHN N#Cc1ccsc1NC(=O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540378729 939219420 /nfs/dbraw/zinc/21/94/20/939219420.db2.gz CMFQMXRWECBSBU-QGZVFWFLSA-N 0 3 404.333 4.452 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000540476628 939268183 /nfs/dbraw/zinc/26/81/83/939268183.db2.gz IPRZQTYLDVMRJG-UXHICEINSA-N 0 3 420.557 4.281 20 30 HIEDHN COC(=O)[C@@H](C)Oc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000540809626 939379676 /nfs/dbraw/zinc/37/96/76/939379676.db2.gz RAJMIDAKZJPNMQ-GOSISDBHSA-N 0 3 400.478 4.455 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000540831482 939388135 /nfs/dbraw/zinc/38/81/35/939388135.db2.gz WZCZIWMEXNPZGC-UHFFFAOYSA-N 0 3 408.333 4.259 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(CCCn2ccnc2)CC1 ZINC000541202445 939485396 /nfs/dbraw/zinc/48/53/96/939485396.db2.gz KLVSXXATYYAVQY-LJQANCHMSA-N 0 3 400.592 4.040 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000541325831 939490973 /nfs/dbraw/zinc/49/09/73/939490973.db2.gz RUBLAZMJGAJRSI-OAHLLOKOSA-N 0 3 412.397 4.398 20 30 HIEDHN C=CCOc1c(Br)cc(CN(C)CCc2ccccc2O)cc1OC ZINC000542483111 939831277 /nfs/dbraw/zinc/83/12/77/939831277.db2.gz XVBHSGSPYPBKSH-UHFFFAOYSA-N 0 3 406.320 4.403 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CN[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000543138098 939965890 /nfs/dbraw/zinc/96/58/90/939965890.db2.gz GKFBZSJIFSFAFA-JOCHJYFZSA-N 0 3 423.438 4.430 20 30 HIEDHN N#Cc1cnn2c1NC[C@@H](CN[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756472 945285772 /nfs/dbraw/zinc/28/57/72/945285772.db2.gz VWEWMOLVAWFDBW-JLTOFOAXSA-N 0 3 412.324 4.482 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2NC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000543759033 940177226 /nfs/dbraw/zinc/17/72/26/940177226.db2.gz WMDINOCLTZAFON-NHCUHLMSSA-N 0 3 418.585 4.244 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809963 940193345 /nfs/dbraw/zinc/19/33/45/940193345.db2.gz SZKTYOOEDSOLEX-GJZGRUSLSA-N 0 3 419.554 4.280 20 30 HIEDHN Cn1ccc([C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000546575261 940856217 /nfs/dbraw/zinc/85/62/17/940856217.db2.gz KDWFURMTBVFING-XMMPIXPASA-N 0 3 419.960 4.289 20 30 HIEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000547415090 941061481 /nfs/dbraw/zinc/06/14/81/941061481.db2.gz BWCNZEOEDKZOCR-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC[C@H](Oc3ccc(Cl)cc3)C2)sc2c1CCC2 ZINC000550393510 941321448 /nfs/dbraw/zinc/32/14/48/941321448.db2.gz NVQALNZIDGEGPR-INIZCTEOSA-N 0 3 415.946 4.244 20 30 HIEDHN CN(CCCN(C)C(=O)c1ccccc1Oc1ccccc1C#N)Cc1ccncc1 ZINC000552360515 941644039 /nfs/dbraw/zinc/64/40/39/941644039.db2.gz IYQXNGGPXCGBLR-UHFFFAOYSA-N 0 3 414.509 4.340 20 30 HIEDHN CC(C)N1CC[C@@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555005838 942352526 /nfs/dbraw/zinc/35/25/26/942352526.db2.gz IMZNSPCHJWMIFW-JIZZLUJTSA-N 0 3 422.976 4.035 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000555253361 942447898 /nfs/dbraw/zinc/44/78/98/942447898.db2.gz ATAXDRPTFUBAFR-UHFFFAOYSA-N 0 3 424.552 4.392 20 30 HIEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461272 942563543 /nfs/dbraw/zinc/56/35/43/942563543.db2.gz YGFVKRWPQOGEBK-UKRRQHHQSA-N 0 3 401.308 4.371 20 30 HIEDHN CN(C(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1)[C@@H]1CCCN(C)C1 ZINC000556338096 942844837 /nfs/dbraw/zinc/84/48/37/942844837.db2.gz UXDYUVRGJVKJQH-GOSISDBHSA-N 0 3 414.912 4.129 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)[C@H](C)c2ccncc2)c1C#N ZINC000556974727 942986114 /nfs/dbraw/zinc/98/61/14/942986114.db2.gz IWGNKSHHAYRISP-GOSISDBHSA-N 0 3 405.502 4.035 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 ZINC000559687424 944029285 /nfs/dbraw/zinc/02/92/85/944029285.db2.gz YJNAUIDEXDKJGX-SFTDATJTSA-N 0 3 417.538 4.172 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 ZINC000559687423 944029454 /nfs/dbraw/zinc/02/94/54/944029454.db2.gz YJNAUIDEXDKJGX-RTWAWAEBSA-N 0 3 417.538 4.172 20 30 HIEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000560181243 944189837 /nfs/dbraw/zinc/18/98/37/944189837.db2.gz WWZVJSZZCWZFQE-TZIWHRDSSA-N 0 3 417.347 4.053 20 30 HIEDHN C=CCC[C@@H](NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000561160575 944488409 /nfs/dbraw/zinc/48/84/09/944488409.db2.gz JOUKHVVUNXDMSC-XMMPIXPASA-N 0 3 402.542 4.402 20 30 HIEDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038986 945988071 /nfs/dbraw/zinc/98/80/71/945988071.db2.gz UMGAWZAALZPTDJ-JPYJTQIMSA-N 0 3 421.516 4.145 20 30 HIEDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424900 946874392 /nfs/dbraw/zinc/87/43/92/946874392.db2.gz UOKMYCVMLGXSIE-RZQQEMMASA-N 0 3 409.555 4.193 20 30 HIEDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424901 946874724 /nfs/dbraw/zinc/87/47/24/946874724.db2.gz UOKMYCVMLGXSIE-TWOQFEAHSA-N 0 3 409.555 4.193 20 30 HIEDHN CC(C)(C)CCN1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000569773536 947003092 /nfs/dbraw/zinc/00/30/92/947003092.db2.gz XMKGSNLSTKLPBV-UHFFFAOYSA-N 0 3 407.518 4.331 20 30 HIEDHN CC(C)N1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574221829 948389893 /nfs/dbraw/zinc/38/98/93/948389893.db2.gz PPQMIIOLDVRZAX-RBBKRZOGSA-N 0 3 414.912 4.103 20 30 HIEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164725334 720490271 /nfs/dbraw/zinc/49/02/71/720490271.db2.gz JUHUNRYJKBQUOB-PMACEKPBSA-N 0 3 421.907 4.456 20 30 HIEDHN CCN(CCC#N)c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165049379 721987168 /nfs/dbraw/zinc/98/71/68/721987168.db2.gz ZCGJQBNMOITHNJ-UHFFFAOYSA-N 0 3 424.932 4.137 20 30 HIEDHN CCOc1cc(CN(C)CCC(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026455498 847153876 /nfs/dbraw/zinc/15/38/76/847153876.db2.gz IKFZLDCAUQNHAF-UHFFFAOYSA-N 0 3 403.429 4.019 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCc1nc2ccccc2s1 ZINC000060575888 851153661 /nfs/dbraw/zinc/15/36/61/851153661.db2.gz NPJYTEJIRWTSLT-UHFFFAOYSA-N 0 3 420.582 4.471 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000063399994 851678128 /nfs/dbraw/zinc/67/81/28/851678128.db2.gz BUPGIJXZENDWIL-JOCHJYFZSA-N 0 3 408.502 4.130 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063826285 851773277 /nfs/dbraw/zinc/77/32/77/851773277.db2.gz BPIIHCZFVKRMLN-UHFFFAOYSA-N 0 3 408.502 4.025 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237097 851855071 /nfs/dbraw/zinc/85/50/71/851855071.db2.gz ABWYLKDBBLSYSB-QHCPKHFHSA-N 0 3 422.529 4.438 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000065930207 852320608 /nfs/dbraw/zinc/32/06/08/852320608.db2.gz QRXHPOCRDQAKHM-UHFFFAOYSA-N 0 3 408.502 4.025 20 30 HIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000065939429 852328318 /nfs/dbraw/zinc/32/83/18/852328318.db2.gz RKLKPCKWJKXOIB-UHFFFAOYSA-N 0 3 421.472 4.073 20 30 HIEDHN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000138825041 853396234 /nfs/dbraw/zinc/39/62/34/853396234.db2.gz YMLBSOVUKXHJEH-SNVBAGLBSA-N 0 3 402.888 4.190 20 30 HIEDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000195662446 853744304 /nfs/dbraw/zinc/74/43/04/853744304.db2.gz WRPJBAJLGHABRW-MLGOLLRUSA-N 0 3 410.480 4.470 20 30 HIEDHN CC(C)NC(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236668422 853909700 /nfs/dbraw/zinc/90/97/00/853909700.db2.gz ZJZGSVLRAVSVIB-UHFFFAOYSA-N 0 3 416.529 4.283 20 30 HIEDHN N#Cc1ccc(N2CCC(NCc3cc(Cl)ccc3Br)CC2)nc1 ZINC000237853936 854108209 /nfs/dbraw/zinc/10/82/09/854108209.db2.gz REGSCBCYNDNKFJ-UHFFFAOYSA-N 0 3 405.727 4.128 20 30 HIEDHN C#CCCOc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000238044022 854136958 /nfs/dbraw/zinc/13/69/58/854136958.db2.gz JFPRTDBEPKOAKK-UHFFFAOYSA-N 0 3 414.509 4.095 20 30 HIEDHN CCN(C(=O)CON=Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000255364698 854217110 /nfs/dbraw/zinc/21/71/10/854217110.db2.gz CZPSYLBOPCZBJW-UHFFFAOYSA-N 0 3 417.509 4.080 20 30 HIEDHN C=CCN1CCC(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)CC1 ZINC000301397486 854381371 /nfs/dbraw/zinc/38/13/71/854381371.db2.gz NXOZRSKNQSCOJJ-UHFFFAOYSA-N 0 3 415.335 4.159 20 30 HIEDHN Cc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302035767 854519939 /nfs/dbraw/zinc/51/99/39/854519939.db2.gz UPMQBCDSCIPJKS-UHFFFAOYSA-N 0 3 401.470 4.035 20 30 HIEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)nnc1C1CC1 ZINC000302947310 854691485 /nfs/dbraw/zinc/69/14/85/854691485.db2.gz LOHCDHKRUYSBFM-INIZCTEOSA-N 0 3 421.551 4.434 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cccnc2Oc2cccc(Br)c2)CC1 ZINC000303246766 854833655 /nfs/dbraw/zinc/83/36/55/854833655.db2.gz DOLWBUBEGYUIJR-UHFFFAOYSA-N 0 3 416.319 4.017 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000303337645 854880916 /nfs/dbraw/zinc/88/09/16/854880916.db2.gz ONXRBUGQARUFTP-UHFFFAOYSA-N 0 3 408.384 4.066 20 30 HIEDHN C=CCC[C@H](CO)NCc1cc(Br)cc(Br)c1OCC ZINC000320270648 855388308 /nfs/dbraw/zinc/38/83/08/855388308.db2.gz LUPPWZHFHRMUSZ-CYBMUJFWSA-N 0 3 407.146 4.027 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000410150521 855839596 /nfs/dbraw/zinc/83/95/96/855839596.db2.gz CGRBUXUEYQDMFX-UHFFFAOYSA-N 0 3 406.574 4.172 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911331 857409316 /nfs/dbraw/zinc/40/93/16/857409316.db2.gz JIBJYZKFEPXQQR-SIKLNZKXSA-N 0 3 413.525 4.029 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429408804 857649501 /nfs/dbraw/zinc/64/95/01/857649501.db2.gz NTENFYKWIXJFKA-ZLXGRDSLSA-N 0 3 406.368 4.105 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429408797 857649727 /nfs/dbraw/zinc/64/97/27/857649727.db2.gz NTENFYKWIXJFKA-QKMWGZLOSA-N 0 3 406.368 4.105 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429503275 857701441 /nfs/dbraw/zinc/70/14/41/857701441.db2.gz GJJSRXMUWBNCNA-UHFFFAOYSA-N 0 3 421.467 4.112 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccsc1 ZINC000429716752 857848689 /nfs/dbraw/zinc/84/86/89/857848689.db2.gz KWRGZRBWYJLYRC-OAQYLSRUSA-N 0 3 421.570 4.338 20 30 HIEDHN Cc1cc(Br)ccc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000433322686 859640222 /nfs/dbraw/zinc/64/02/22/859640222.db2.gz YRDCUYMVOCAXDB-UHFFFAOYSA-N 0 3 410.319 4.220 20 30 HIEDHN Cc1cc2sc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)nc2cc1F ZINC000434500523 860375758 /nfs/dbraw/zinc/37/57/58/860375758.db2.gz BTIQGBJWZNSBPN-UHFFFAOYSA-N 0 3 411.506 4.211 20 30 HIEDHN N#CCCn1cc(CN2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435124047 860651593 /nfs/dbraw/zinc/65/15/93/860651593.db2.gz LFFXHXGJRBHHBU-DEOSSOPVSA-N 0 3 415.541 4.082 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000435284968 860719017 /nfs/dbraw/zinc/71/90/17/860719017.db2.gz MLRAKRYLSVFQTI-QFIPXVFZSA-N 0 3 416.525 4.456 20 30 HIEDHN Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435290501 860721263 /nfs/dbraw/zinc/72/12/63/860721263.db2.gz QUWOFIOOACMMBQ-HSZRJFAPSA-N 0 3 413.525 4.082 20 30 HIEDHN CC(C)c1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1-c1ccccc1 ZINC000435361350 860762103 /nfs/dbraw/zinc/76/21/03/860762103.db2.gz DWLKKVYMHSOITK-UHFFFAOYSA-N 0 3 415.541 4.071 20 30 HIEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1C#N ZINC000435564788 860885205 /nfs/dbraw/zinc/88/52/05/860885205.db2.gz IQRTXOTZIHYZMA-UHFFFAOYSA-N 0 3 416.472 4.219 20 30 HIEDHN COc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OCCCC#N ZINC000435768306 861044438 /nfs/dbraw/zinc/04/44/38/861044438.db2.gz CDJNWMDJDLWLSU-GOSISDBHSA-N 0 3 405.502 4.151 20 30 HIEDHN COc1ccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)N2CCCC2)cc1 ZINC000438850248 864345630 /nfs/dbraw/zinc/34/56/30/864345630.db2.gz USTHHLQQCAAKGJ-PKTZIBPZSA-N 0 3 406.530 4.176 20 30 HIEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441056531 866135095 /nfs/dbraw/zinc/13/50/95/866135095.db2.gz BXAWWARYTDQRSK-CQSZACIVSA-N 0 3 408.449 4.242 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)CC1 ZINC000443885052 868419529 /nfs/dbraw/zinc/41/95/29/868419529.db2.gz ZCNJADJQQRFXDT-UHFFFAOYSA-N 0 3 416.447 4.360 20 30 HIEDHN CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000444298739 868728140 /nfs/dbraw/zinc/72/81/40/868728140.db2.gz YSHAQGGDWNGKHE-OAQYLSRUSA-N 0 3 400.526 4.292 20 30 HIEDHN CCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468516960 882524643 /nfs/dbraw/zinc/52/46/43/882524643.db2.gz NRZZVJKCUXQCGF-JOCHJYFZSA-N 0 3 414.500 4.451 20 30 HIEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000448060730 871887842 /nfs/dbraw/zinc/88/78/42/871887842.db2.gz NQTKYDQIHNXLFX-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460771143 873620276 /nfs/dbraw/zinc/62/02/76/873620276.db2.gz UCWMZHOVAOLTPQ-OFNKIYASSA-N 0 3 423.605 4.086 20 30 HIEDHN Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462246631 875364997 /nfs/dbraw/zinc/36/49/97/875364997.db2.gz LQYRHTGTMWUWCQ-WMZHIEFXSA-N 0 3 413.525 4.252 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000463818063 876932723 /nfs/dbraw/zinc/93/27/23/876932723.db2.gz ZCWQMHJTDAYNAI-MRXNPFEDSA-N 0 3 414.347 4.015 20 30 HIEDHN CN1CCC(N(Cc2ccco2)C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469123656 883218142 /nfs/dbraw/zinc/21/81/42/883218142.db2.gz ZLZHPLBHUVMDPX-UHFFFAOYSA-N 0 3 404.514 4.275 20 30 HIEDHN C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1Cc1ccccc1 ZINC000469586832 883825544 /nfs/dbraw/zinc/82/55/44/883825544.db2.gz KVVBERZLQWJCAN-TZIWHRDSSA-N 0 3 400.526 4.338 20 30 HIEDHN CC(C)(C)c1nnc2ccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cn21 ZINC000469685387 883870011 /nfs/dbraw/zinc/87/00/11/883870011.db2.gz OJFOPQQOXYNTQU-ZDUSSCGKSA-N 0 3 408.412 4.262 20 30 HIEDHN C=CCN1CCC(NC(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)CC1 ZINC000469751947 883914397 /nfs/dbraw/zinc/91/43/97/883914397.db2.gz KIFPNHJNBUYJOL-XMMPIXPASA-N 0 3 405.542 4.155 20 30 HIEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000469991724 884205512 /nfs/dbraw/zinc/20/55/12/884205512.db2.gz NOPUXGCVDAWPJO-CQSZACIVSA-N 0 3 410.326 4.408 20 30 HIEDHN CN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470666712 885094565 /nfs/dbraw/zinc/09/45/65/885094565.db2.gz JTRZEOGZDGZRRF-QHCPKHFHSA-N 0 3 405.542 4.230 20 30 HIEDHN C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000471132391 885671403 /nfs/dbraw/zinc/67/14/03/885671403.db2.gz WTGFLBAALOYXHE-VGOFRKELSA-N 0 3 403.482 4.151 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000504066310 912968111 /nfs/dbraw/zinc/96/81/11/912968111.db2.gz FQSPJOZKLLPNIG-NRFANRHFSA-N 0 3 406.555 4.256 20 30 HIEDHN COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471179193 885745022 /nfs/dbraw/zinc/74/50/22/885745022.db2.gz RQWZSFRLZLZCQS-UHFFFAOYSA-N 0 3 413.543 4.063 20 30 HIEDHN COCCOc1cc(OC)ccc1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000472495784 887364609 /nfs/dbraw/zinc/36/46/09/887364609.db2.gz HKFZCJNBGOHGTR-HNNXBMFYSA-N 0 3 416.886 4.474 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472535076 887407968 /nfs/dbraw/zinc/40/79/68/887407968.db2.gz CXMUJABWJNLMHC-FYYLOGMGSA-N 0 3 408.521 4.107 20 30 HIEDHN FC(F)C(F)(F)COCCNCc1ccc(Br)cc1C(F)(F)F ZINC000475233112 890106007 /nfs/dbraw/zinc/10/60/07/890106007.db2.gz LFBNQVQVMOAICZ-UHFFFAOYSA-N 0 3 412.143 4.475 20 30 HIEDHN C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)N(C)Cc1ccccc1 ZINC000477409681 892363234 /nfs/dbraw/zinc/36/32/34/892363234.db2.gz YKDSPIXVRUOEDZ-BVVFMGSASA-N 0 3 420.557 4.068 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000477434149 892386058 /nfs/dbraw/zinc/38/60/58/892386058.db2.gz CNLKRWKINCPPOW-KRWDZBQOSA-N 0 3 409.511 4.003 20 30 HIEDHN CC1CCN([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2cccs2)CC1 ZINC000505174270 913862945 /nfs/dbraw/zinc/86/29/45/913862945.db2.gz BMSZSXRYYKHSEY-HXUWFJFHSA-N 0 3 411.546 4.380 20 30 HIEDHN CN(C)CCN(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000479181977 894449372 /nfs/dbraw/zinc/44/93/72/894449372.db2.gz DKSKBSYNJPFKIV-UHFFFAOYSA-N 0 3 420.557 4.022 20 30 HIEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000480348579 895754904 /nfs/dbraw/zinc/75/49/04/895754904.db2.gz NKENPVBIFYCLKQ-BTYIYWSLSA-N 0 3 422.920 4.210 20 30 HIEDHN CCN(Cc1ccc(C#N)cc1Br)CC1CCN(c2ccccn2)CC1 ZINC000481045302 896369805 /nfs/dbraw/zinc/36/98/05/896369805.db2.gz YNEXXARMZFIOQR-UHFFFAOYSA-N 0 3 413.363 4.454 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481764585 897151838 /nfs/dbraw/zinc/15/18/38/897151838.db2.gz YFBJUGUXGUWZNH-RTWAWAEBSA-N 0 3 400.567 4.214 20 30 HIEDHN COc1cc(I)c(Cl)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000482004310 897401063 /nfs/dbraw/zinc/40/10/63/897401063.db2.gz VWZSIFPOEVZNRK-ZYHUDNBSSA-N 0 3 404.679 4.125 20 30 HIEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(CC2CC2)C2CCC2)c1C#N ZINC000483315328 898943454 /nfs/dbraw/zinc/94/34/54/898943454.db2.gz OAQTYYJXMWUUBA-UHFFFAOYSA-N 0 3 408.521 4.367 20 30 HIEDHN CCc1ccc(-c2noc([C@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000483645528 899301876 /nfs/dbraw/zinc/30/18/76/899301876.db2.gz GLRBBUWXFDANFZ-SFHVURJKSA-N 0 3 415.541 4.486 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465338 899959579 /nfs/dbraw/zinc/95/95/79/899959579.db2.gz MWPSCABMTZFDQC-DOMZBBRYSA-N 0 3 410.396 4.301 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000485250781 900535612 /nfs/dbraw/zinc/53/56/12/900535612.db2.gz FKAIJWXBOXFYRW-LJQANCHMSA-N 0 3 422.426 4.074 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2CC)CC1 ZINC000485327148 900609400 /nfs/dbraw/zinc/60/94/00/900609400.db2.gz YIZLJDISRODVOD-UHFFFAOYSA-N 0 3 421.467 4.225 20 30 HIEDHN C=CCSc1ccccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485467041 900761802 /nfs/dbraw/zinc/76/18/02/900761802.db2.gz PKRVMXXYUWSTGW-KDURUIRLSA-N 0 3 402.604 4.316 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000486187824 901373306 /nfs/dbraw/zinc/37/33/06/901373306.db2.gz LIEMUAFBTVUIME-SFHVURJKSA-N 0 3 412.347 4.379 20 30 HIEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000487401081 902183973 /nfs/dbraw/zinc/18/39/73/902183973.db2.gz VEFKCKYAJQBZQL-SFHVURJKSA-N 0 3 406.448 4.378 20 30 HIEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466939 902839991 /nfs/dbraw/zinc/83/99/91/902839991.db2.gz MPAMDOHBTXCAMW-QRWLVFNGSA-N 0 3 415.509 4.367 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471841 902843590 /nfs/dbraw/zinc/84/35/90/902843590.db2.gz XMXHLBUSMXLKOI-LEWJYISDSA-N 0 3 424.342 4.089 20 30 HIEDHN C[C@@H]1C[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489075 902851773 /nfs/dbraw/zinc/85/17/73/902851773.db2.gz AEAOQAQPVNBQLI-UAOJZALGSA-N 0 3 424.342 4.260 20 30 HIEDHN N#Cc1c(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc2c1CCC2 ZINC000490789164 904235822 /nfs/dbraw/zinc/23/58/22/904235822.db2.gz AASVGCVYSPITNE-UHFFFAOYSA-N 0 3 410.499 4.010 20 30 HIEDHN Cn1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491892758 904722942 /nfs/dbraw/zinc/72/29/42/904722942.db2.gz SCFFFXUVRDOAQD-NRFANRHFSA-N 0 3 400.482 4.067 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)CC1 ZINC000492312758 904832777 /nfs/dbraw/zinc/83/27/77/904832777.db2.gz MLSLTXVRNAPJOW-UHFFFAOYSA-N 0 3 421.467 4.268 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494447415 905731225 /nfs/dbraw/zinc/73/12/25/905731225.db2.gz ZJZSLYMXXDWOTB-BEVDRBHNSA-N 0 3 404.963 4.424 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(Br)ccc2Cl)CC1 ZINC000494806976 906007519 /nfs/dbraw/zinc/00/75/19/906007519.db2.gz CXSRWICSJOKFNR-UHFFFAOYSA-N 0 3 414.775 4.284 20 30 HIEDHN COC(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc2ccccc2c1 ZINC000494832991 906024474 /nfs/dbraw/zinc/02/44/74/906024474.db2.gz BAKJJNLGPZSCHK-GOTSBHOMSA-N 0 3 400.478 4.333 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247910 906638487 /nfs/dbraw/zinc/63/84/87/906638487.db2.gz UPRWULIPEQRBIO-RLHVNXBHSA-N 0 3 424.545 4.270 20 30 HIEDHN CCCOc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512604913 921257511 /nfs/dbraw/zinc/25/75/11/921257511.db2.gz SLPSRHILUIVDBT-UHFFFAOYSA-N 0 3 407.514 4.206 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000498380463 907869534 /nfs/dbraw/zinc/86/95/34/907869534.db2.gz IIBUIOZUZAZOIN-WOJBJXKFSA-N 0 3 415.459 4.271 20 30 HIEDHN Cc1cccc(-c2nc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cs2)c1 ZINC000498383004 907871720 /nfs/dbraw/zinc/87/17/20/907871720.db2.gz OLYFZRWMXCKLMR-UHFFFAOYSA-N 0 3 418.566 4.123 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000512899859 921392155 /nfs/dbraw/zinc/39/21/55/921392155.db2.gz BFSHMGNRYIUBKQ-DEOSSOPVSA-N 0 3 420.557 4.346 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000502152943 911074848 /nfs/dbraw/zinc/07/48/48/911074848.db2.gz CWUFMUJTDNZVDL-NZQKXSOJSA-N 0 3 409.578 4.072 20 30 HIEDHN N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)o2)cc1 ZINC000513216470 921631290 /nfs/dbraw/zinc/63/12/90/921631290.db2.gz CQVQTIIWFZCGAM-NRFANRHFSA-N 0 3 415.493 4.125 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000502190088 911125489 /nfs/dbraw/zinc/12/54/89/911125489.db2.gz VNZBSYAGFBQOHW-RUZDIDTESA-N 0 3 419.569 4.441 20 30 HIEDHN Cc1ccc([C@H](OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000506340102 914956645 /nfs/dbraw/zinc/95/66/45/914956645.db2.gz RJDCVFAVPSKWOV-IZZNHLLZSA-N 0 3 400.522 4.466 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000506632904 915301347 /nfs/dbraw/zinc/30/13/47/915301347.db2.gz UTGUVJNWLFKDAD-HXUWFJFHSA-N 0 3 410.562 4.348 20 30 HIEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508930353 917688245 /nfs/dbraw/zinc/68/82/45/917688245.db2.gz KYMHAUOAWVCFHV-WMZHIEFXSA-N 0 3 417.557 4.037 20 30 HIEDHN C[C@H](OC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062490 917809931 /nfs/dbraw/zinc/80/99/31/917809931.db2.gz GXCWHTLFWAQJRY-UWJYYQICSA-N 0 3 414.933 4.194 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000509500974 918146535 /nfs/dbraw/zinc/14/65/35/918146535.db2.gz BXWMVAKRXIVCJX-YJBOKZPZSA-N 0 3 406.555 4.118 20 30 HIEDHN CC(C)CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CCN(C)CC1 ZINC000511058713 919654711 /nfs/dbraw/zinc/65/47/11/919654711.db2.gz ZBRKVPMZVBVBIG-UHFFFAOYSA-N 0 3 405.542 4.330 20 30 HIEDHN C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CCN(C)CC1 ZINC000511254960 919856735 /nfs/dbraw/zinc/85/67/35/919856735.db2.gz SVDKQTIZCGYNTK-GOSISDBHSA-N 0 3 406.505 4.060 20 30 HIEDHN N#CCCN(C(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000511670220 920335983 /nfs/dbraw/zinc/33/59/83/920335983.db2.gz GVMAJCJGHNLWFL-DNVJHFABSA-N 0 3 423.944 4.091 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN[C@@H]3CCCN(c4ccccc4)C3=O)c2)c1 ZINC000512234874 920989772 /nfs/dbraw/zinc/98/97/72/920989772.db2.gz UPYRBUKKRUCUFQ-RUZDIDTESA-N 0 3 411.505 4.422 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 ZINC000517310821 924095068 /nfs/dbraw/zinc/09/50/68/924095068.db2.gz ZTJXFIFWQULCKP-UHFFFAOYSA-N 0 3 406.555 4.007 20 30 HIEDHN CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000517644078 926751142 /nfs/dbraw/zinc/75/11/42/926751142.db2.gz CQHXOBRWORSUGD-OAQYLSRUSA-N 0 3 404.558 4.070 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 ZINC000518054378 926992534 /nfs/dbraw/zinc/99/25/34/926992534.db2.gz IVYVVTLRFFNJME-UHFFFAOYSA-N 0 3 400.910 4.086 20 30 HIEDHN C=CCN(Cc1ccc(OC(F)(F)F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255405 927111470 /nfs/dbraw/zinc/11/14/70/927111470.db2.gz BQLQSCZCLOUBOW-OAHLLOKOSA-N 0 3 403.408 4.310 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000518613638 927379924 /nfs/dbraw/zinc/37/99/24/927379924.db2.gz UVYXJGXTBPPRFG-UHFFFAOYSA-N 0 3 408.502 4.025 20 30 HIEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000519044626 927719556 /nfs/dbraw/zinc/71/95/56/927719556.db2.gz GZNLAMUNSNODPF-UHFFFAOYSA-N 0 3 407.558 4.230 20 30 HIEDHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000519202377 927825660 /nfs/dbraw/zinc/82/56/60/927825660.db2.gz OFSSQFRRRFYDLX-NRFANRHFSA-N 0 3 408.542 4.139 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000519285570 927864007 /nfs/dbraw/zinc/86/40/07/927864007.db2.gz BEDKJYQSUBTONA-JOCHJYFZSA-N 0 3 411.521 4.286 20 30 HIEDHN C/C(=C/c1cccc(C(F)(F)F)c1)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649143 928699874 /nfs/dbraw/zinc/69/98/74/928699874.db2.gz XVKGVOKOBFSFBE-NIHHCSOHSA-N 0 3 413.443 4.371 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000521605417 929326039 /nfs/dbraw/zinc/32/60/39/929326039.db2.gz LRPIGBIHUXPLBR-INIZCTEOSA-N 0 3 418.463 4.411 20 30 HIEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000524492334 929640000 /nfs/dbraw/zinc/64/00/00/929640000.db2.gz USBWNVXGAWGEIV-UHFFFAOYSA-N 0 3 413.521 4.341 20 30 HIEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccc(Br)cc3F)C2)c(F)c1 ZINC000524688130 929800111 /nfs/dbraw/zinc/80/01/11/929800111.db2.gz ZTWWJMYSYUFRAB-INIZCTEOSA-N 0 3 406.274 4.358 20 30 HIEDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1NC(=O)CC(C)C ZINC000525142915 930060932 /nfs/dbraw/zinc/06/09/32/930060932.db2.gz ALSYJLMACIXJQP-UHFFFAOYSA-N 0 3 420.557 4.055 20 30 HIEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802569 930449698 /nfs/dbraw/zinc/44/96/98/930449698.db2.gz WEEPWQGUSMZTKM-JXFKEZNVSA-N 0 3 423.513 4.338 20 30 HIEDHN COc1ccc([C@H](CCn2cncn2)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000527109562 930594079 /nfs/dbraw/zinc/59/40/79/930594079.db2.gz SYAQDKGSECAQJW-NRFANRHFSA-N 0 3 414.431 4.078 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000531504510 931082627 /nfs/dbraw/zinc/08/26/27/931082627.db2.gz IOOKWQPACZUIDR-UHFFFAOYSA-N 0 3 411.374 4.059 20 30 HIEDHN C=CCOc1c(Br)cc(CNCc2ccc3c(c2)COC3)cc1OC ZINC000532724693 931609804 /nfs/dbraw/zinc/60/98/04/931609804.db2.gz LYXDNLUSYPLVJO-UHFFFAOYSA-N 0 3 404.304 4.343 20 30 HIEDHN CCC(CC)N(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000533403820 931859509 /nfs/dbraw/zinc/85/95/09/931859509.db2.gz BBXIAEHEHZDPFH-IBGZPJMESA-N 0 3 412.578 4.009 20 30 HIEDHN COc1ccc([C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287824 933698298 /nfs/dbraw/zinc/69/82/98/933698298.db2.gz QBSLKRDBALPRNI-GAJHUEQPSA-N 0 3 407.514 4.080 20 30 HIEDHN N#CCCn1cc(CN2CCC(NC(=O)CC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000537628519 938340071 /nfs/dbraw/zinc/34/00/71/938340071.db2.gz OXSZSXZEMXFJMA-UHFFFAOYSA-N 0 3 419.573 4.125 20 30 HIEDHN C=CCOc1c(Br)cc(CN2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000537648835 938346619 /nfs/dbraw/zinc/34/66/19/938346619.db2.gz VSXVXFUAOORTPR-QGZVFWFLSA-N 0 3 410.352 4.271 20 30 HIEDHN CC(C)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000538158582 938528844 /nfs/dbraw/zinc/52/88/44/938528844.db2.gz HTTNVQWWXKYJMM-LJQANCHMSA-N 0 3 410.461 4.338 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1C#N ZINC000538186794 938543157 /nfs/dbraw/zinc/54/31/57/938543157.db2.gz BSCIRCCZYLLSKQ-HYBUGGRVSA-N 0 3 420.557 4.398 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266926 938579000 /nfs/dbraw/zinc/57/90/00/938579000.db2.gz RRDUNQQAUPNAGY-GJZGRUSLSA-N 0 3 407.905 4.384 20 30 HIEDHN COc1ccc(C[C@H](NCc2cnc3ccc(C#N)cn23)c2ccc(OC)cc2)cc1 ZINC000538304158 938588310 /nfs/dbraw/zinc/58/83/10/938588310.db2.gz DJPKLXPNPKQJCZ-DEOSSOPVSA-N 0 3 412.493 4.297 20 30 HIEDHN COc1ccc(C[C@@H](NCc2cnc3ccc(C#N)cn23)c2ccc(OC)cc2)cc1 ZINC000538304160 938588322 /nfs/dbraw/zinc/58/83/22/938588322.db2.gz DJPKLXPNPKQJCZ-XMMPIXPASA-N 0 3 412.493 4.297 20 30 HIEDHN N#CCCn1cc(CN[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000538501141 938636519 /nfs/dbraw/zinc/63/65/19/938636519.db2.gz SIZSCYWBTYJKBM-LJQANCHMSA-N 0 3 419.916 4.012 20 30 HIEDHN C[C@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000538508884 938638395 /nfs/dbraw/zinc/63/83/95/938638395.db2.gz JXCROQIQZCTMKH-NSHDSACASA-N 0 3 400.255 4.096 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC(CN4CCCCC4=O)CC3)c2)c1 ZINC000538737309 938697452 /nfs/dbraw/zinc/69/74/52/938697452.db2.gz VENNHXGXMFLZRN-UHFFFAOYSA-N 0 3 417.553 4.362 20 30 HIEDHN Cc1ccc([C@H](C)NCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cc1 ZINC000539234977 938822962 /nfs/dbraw/zinc/82/29/62/938822962.db2.gz YCJNKHKRMAJMRF-ICSRJNTNSA-N 0 3 420.557 4.015 20 30 HIEDHN N#Cc1cccc(CNC(=O)CN[C@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000539279242 938832384 /nfs/dbraw/zinc/83/23/84/938832384.db2.gz BOSUQBVWGGDELC-NRFANRHFSA-N 0 3 412.331 4.068 20 30 HIEDHN C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000539337173 938844357 /nfs/dbraw/zinc/84/43/57/938844357.db2.gz OQQUHTYVLRPULD-KRWDZBQOSA-N 0 3 407.905 4.123 20 30 HIEDHN Cc1ccc(S(=O)(=O)NC[C@H](NCCCC(C)(C)C#N)c2ccccc2)c(C)c1 ZINC000539356759 938847550 /nfs/dbraw/zinc/84/75/50/938847550.db2.gz LEPYNOVBZFGUPK-NRFANRHFSA-N 0 3 413.587 4.243 20 30 HIEDHN COc1ccc([C@@H](CO)N(C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539827656 938948127 /nfs/dbraw/zinc/94/81/27/938948127.db2.gz PEJHMYRWFKSIJK-RUZDIDTESA-N 0 3 402.494 4.311 20 30 HIEDHN N#CCCn1cc(CNc2ccccc2CN2CCC(O)CC2)c(-c2ccccc2)n1 ZINC000539920136 938978028 /nfs/dbraw/zinc/97/80/28/938978028.db2.gz BXFUWFYUSGJINL-UHFFFAOYSA-N 0 3 415.541 4.033 20 30 HIEDHN C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540708212 939345090 /nfs/dbraw/zinc/34/50/90/939345090.db2.gz NPWLBWOMJBVRDG-OAHLLOKOSA-N 0 3 420.454 4.319 20 30 HIEDHN CN(C)[C@H](CNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000541074703 939451366 /nfs/dbraw/zinc/45/13/66/939451366.db2.gz ZMAUDZQHBPFLMG-GOSISDBHSA-N 0 3 407.461 4.088 20 30 HIEDHN C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000543861593 940214105 /nfs/dbraw/zinc/21/41/05/940214105.db2.gz SIPKSTLEJMHIAF-IRXDYDNUSA-N 0 3 412.493 4.002 20 30 HIEDHN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869893 940217433 /nfs/dbraw/zinc/21/74/33/940217433.db2.gz HLBCVPITINEMJB-NTUVXCKYSA-N 0 3 403.526 4.046 20 30 HIEDHN Cc1ccsc1[C@H](Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000544416353 940417728 /nfs/dbraw/zinc/41/77/28/940417728.db2.gz WUJIZMNBOPRVEY-NRFANRHFSA-N 0 3 410.564 4.276 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000544531920 940473349 /nfs/dbraw/zinc/47/33/49/940473349.db2.gz RDSOLLSVIANIPH-KKSFZXQISA-N 0 3 406.530 4.185 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000544531919 940473470 /nfs/dbraw/zinc/47/34/70/940473470.db2.gz RDSOLLSVIANIPH-IIBYNOLFSA-N 0 3 406.530 4.185 20 30 HIEDHN CN(C)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 ZINC000549230905 941172569 /nfs/dbraw/zinc/17/25/69/941172569.db2.gz UBUZKBBCBYGKDZ-NRFANRHFSA-N 0 3 420.900 4.432 20 30 HIEDHN N#Cc1ccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000549936495 941243036 /nfs/dbraw/zinc/24/30/36/941243036.db2.gz DAYCLTICYKMAOK-UHFFFAOYSA-N 0 3 416.852 4.184 20 30 HIEDHN COc1cc(CN2CCC[C@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000550063166 941277283 /nfs/dbraw/zinc/27/72/83/941277283.db2.gz IAEKQQYKISEUCP-VWLOTQADSA-N 0 3 408.542 4.376 20 30 HIEDHN Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000552495442 941688482 /nfs/dbraw/zinc/68/84/82/941688482.db2.gz BWDHGFWHHPFHCZ-UHFFFAOYSA-N 0 3 422.548 4.453 20 30 HIEDHN N#Cc1cccc(CC(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000552851235 941787599 /nfs/dbraw/zinc/78/75/99/941787599.db2.gz PMJMHGUFWRXOTJ-SANMLTNESA-N 0 3 424.548 4.189 20 30 HIEDHN CN(C)C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000554072941 942029410 /nfs/dbraw/zinc/02/94/10/942029410.db2.gz GYVNXFGGUAIAPL-HXUWFJFHSA-N 0 3 423.517 4.169 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000555290342 942464306 /nfs/dbraw/zinc/46/43/06/942464306.db2.gz BHZGRBGHDVQYKA-UHFFFAOYSA-N 0 3 402.546 4.017 20 30 HIEDHN Cc1cc(CN2CCSCC2)ccc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000556895192 942955520 /nfs/dbraw/zinc/95/55/20/942955520.db2.gz LAOCHIZTQMMIHA-UHFFFAOYSA-N 0 3 406.599 4.496 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC4(CCC4)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000558476057 943568976 /nfs/dbraw/zinc/56/89/76/943568976.db2.gz JHGPETGRMIYNJU-FPDPHYFHSA-N 0 3 413.587 4.107 20 30 HIEDHN CCN1CC[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558902097 943736560 /nfs/dbraw/zinc/73/65/60/943736560.db2.gz MGEALVDNMSQOIY-SZFUDVHCSA-N 0 3 414.912 4.103 20 30 HIEDHN C=C(C)Cn1c(CC)nnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565749349 945880243 /nfs/dbraw/zinc/88/02/43/945880243.db2.gz RLJBZKYIRBCVAV-UHFFFAOYSA-N 0 3 407.484 4.148 20 30 HIEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000565911219 945916605 /nfs/dbraw/zinc/91/66/05/945916605.db2.gz FJGVDXVTHBFBMI-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN N#CCCN(C(=O)CN[C@@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1 ZINC000567969649 946433992 /nfs/dbraw/zinc/43/39/92/946433992.db2.gz MCBYERRDNLHMGO-HSZRJFAPSA-N 0 3 423.944 4.270 20 30 HIEDHN C=CCN1CCC(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)CC1 ZINC000570489928 947265921 /nfs/dbraw/zinc/26/59/21/947265921.db2.gz NXRQIVVQCODUGN-UHFFFAOYSA-N 0 3 405.514 4.133 20 30 HIEDHN CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1OC ZINC000570834820 947366394 /nfs/dbraw/zinc/36/63/94/947366394.db2.gz DOPDGGGGHPNTOL-UHFFFAOYSA-N 0 3 401.894 4.080 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc(Cl)n1 ZINC001164629778 719075504 /nfs/dbraw/zinc/07/55/04/719075504.db2.gz YZQKCHIDSALNDA-LPHOPBHVSA-N 0 3 402.876 4.252 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303529 861607353 /nfs/dbraw/zinc/60/73/53/861607353.db2.gz CTQPWEAUHFMIQQ-YHYVQYDKSA-N 0 3 421.509 4.029 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000436332667 861637869 /nfs/dbraw/zinc/63/78/69/861637869.db2.gz PLLQEKCDZCJDJX-QTJGBDASSA-N 0 3 405.517 4.336 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(F)cc3Br)CC2)cc1 ZINC000022850945 846628465 /nfs/dbraw/zinc/62/84/65/846628465.db2.gz GVGQGBKZVLJQTR-UHFFFAOYSA-N 0 3 402.311 4.168 20 30 HIEDHN C=CCOc1c(Br)cc(CNC[C@@H](c2ccco2)N(C)C)cc1OC ZINC000025355243 846966277 /nfs/dbraw/zinc/96/62/77/846966277.db2.gz QDTKIQUAVWVWEH-INIZCTEOSA-N 0 3 409.324 4.008 20 30 HIEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027208170 847266452 /nfs/dbraw/zinc/26/64/52/847266452.db2.gz WAGQHQYDRKFRJD-XMMPIXPASA-N 0 3 422.475 4.435 20 30 HIEDHN CCOc1ccc([C@@H](NC[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537111 847731849 /nfs/dbraw/zinc/73/18/49/847731849.db2.gz GYIHVPJFGGOEFW-DHLKQENFSA-N 0 3 402.494 4.076 20 30 HIEDHN COc1ccc2[nH]cc(C3=CCN(CCC(=O)Nc4sccc4C#N)CC3)c2c1 ZINC000047257281 849016211 /nfs/dbraw/zinc/01/62/11/849016211.db2.gz XVQQEYLDWCRBIW-UHFFFAOYSA-N 0 3 406.511 4.228 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 ZINC000060155593 851045302 /nfs/dbraw/zinc/04/53/02/851045302.db2.gz FVCKGNMAYHTPJD-VWLOTQADSA-N 0 3 413.521 4.478 20 30 HIEDHN C=CCOc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1OC ZINC000060355377 851075875 /nfs/dbraw/zinc/07/58/75/851075875.db2.gz YHHXRBBBDTXUHS-UHFFFAOYSA-N 0 3 408.542 4.041 20 30 HIEDHN C=C(C)COc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1OC ZINC000060948992 851255179 /nfs/dbraw/zinc/25/51/79/851255179.db2.gz BHNPDLCWWPRCAP-UHFFFAOYSA-N 0 3 410.558 4.149 20 30 HIEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061187560 851312432 /nfs/dbraw/zinc/31/24/32/851312432.db2.gz OAPQPYWOTGJRMG-UHFFFAOYSA-N 0 3 407.558 4.054 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063403308 851680444 /nfs/dbraw/zinc/68/04/44/851680444.db2.gz IZBFSJBBZWVNLM-RXVVDRJESA-N 0 3 408.502 4.128 20 30 HIEDHN COc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)N2CCCC2)cc1 ZINC000065473442 852148663 /nfs/dbraw/zinc/14/86/63/852148663.db2.gz ZCSMNNRDDFKOEL-QFIPXVFZSA-N 0 3 422.529 4.313 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000065930775 852320673 /nfs/dbraw/zinc/32/06/73/852320673.db2.gz JYKLLUCNDXBKGO-UXHICEINSA-N 0 3 415.459 4.271 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000065930395 852321188 /nfs/dbraw/zinc/32/11/88/852321188.db2.gz HUAJHSCRNYIHBN-UHFFFAOYSA-N 0 3 420.340 4.224 20 30 HIEDHN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000079040861 852538399 /nfs/dbraw/zinc/53/83/99/852538399.db2.gz ZZRHDIPTBAUCAX-HNNXBMFYSA-N 0 3 420.340 4.223 20 30 HIEDHN N#Cc1ccccc1-c1ccccc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000106175076 852759794 /nfs/dbraw/zinc/75/97/94/852759794.db2.gz OHKABYHXFIAVNI-UHFFFAOYSA-N 0 3 405.567 4.317 20 30 HIEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc(Br)cs1 ZINC000108146227 852826192 /nfs/dbraw/zinc/82/61/92/852826192.db2.gz SZRXSVNEFFQINJ-UHFFFAOYSA-N 0 3 412.740 4.496 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)CC1 ZINC000109477487 852974695 /nfs/dbraw/zinc/97/46/95/852974695.db2.gz QSJGTKQVXCVQKY-UHFFFAOYSA-N 0 3 408.571 4.281 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000139172708 853404070 /nfs/dbraw/zinc/40/40/70/853404070.db2.gz JFQJUFLIXHOOIH-INIZCTEOSA-N 0 3 418.463 4.411 20 30 HIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147473584 853588834 /nfs/dbraw/zinc/58/88/34/853588834.db2.gz WRFVELOIIPBMEI-ZFWWWQNUSA-N 0 3 407.455 4.418 20 30 HIEDHN CCN1CCN(c2ccc(NCc3ccc(OC)c(OCCCC#N)c3)c(C)c2)CC1 ZINC000237012350 853951619 /nfs/dbraw/zinc/95/16/19/853951619.db2.gz FGHZBPXJAFEHHB-UHFFFAOYSA-N 0 3 422.573 4.440 20 30 HIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(I)c1OC ZINC000237224334 853986310 /nfs/dbraw/zinc/98/63/10/853986310.db2.gz BILCBAOBJCYOEZ-GFCCVEGCSA-N 0 3 422.266 4.031 20 30 HIEDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(Cl)c1OC ZINC000237368218 854015791 /nfs/dbraw/zinc/01/57/91/854015791.db2.gz CNLBRRJTAKXQMH-INIZCTEOSA-N 0 3 403.885 4.127 20 30 HIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000237476893 854041945 /nfs/dbraw/zinc/04/19/45/854041945.db2.gz BEFSWOXDJRSDPL-HNNXBMFYSA-N 0 3 408.951 4.006 20 30 HIEDHN N#CCCCOc1cccc(CNCc2ccc(NC(=O)c3cccnc3)cc2)c1 ZINC000237970800 854127753 /nfs/dbraw/zinc/12/77/53/854127753.db2.gz ZTGAYCMJQJZNBL-UHFFFAOYSA-N 0 3 400.482 4.306 20 30 HIEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000303253288 854837072 /nfs/dbraw/zinc/83/70/72/854837072.db2.gz GFGWJQZCZASLQK-UHFFFAOYSA-N 0 3 408.329 4.348 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2cccnc2Oc2ccccc2OCCC)CC1 ZINC000303266283 854842173 /nfs/dbraw/zinc/84/21/73/854842173.db2.gz DZWFAHUJBUKCIV-UHFFFAOYSA-N 0 3 424.545 4.112 20 30 HIEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000303545215 855031596 /nfs/dbraw/zinc/03/15/96/855031596.db2.gz IRYBTUVKDHKLIE-UHFFFAOYSA-N 0 3 413.521 4.341 20 30 HIEDHN CN(C)Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000303850215 855245945 /nfs/dbraw/zinc/24/59/45/855245945.db2.gz KMBMDTNPCGJSAF-UHFFFAOYSA-N 0 3 409.540 4.016 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)CC1 ZINC000409538704 855531525 /nfs/dbraw/zinc/53/15/25/855531525.db2.gz YSWMAEKAHNTTSD-UHFFFAOYSA-N 0 3 408.571 4.225 20 30 HIEDHN C[C@@H]1CN(CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@@H](C)O1 ZINC000426394649 856272909 /nfs/dbraw/zinc/27/29/09/856272909.db2.gz KAQAMASZPDYPGF-HZPDHXFCSA-N 0 3 414.500 4.100 20 30 HIEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000429255104 857576547 /nfs/dbraw/zinc/57/65/47/857576547.db2.gz OYERJXGLSCWPCK-OALUTQOASA-N 0 3 412.578 4.231 20 30 HIEDHN N#CCCn1ncc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1-c1ccccc1 ZINC000429726108 857852323 /nfs/dbraw/zinc/85/23/23/857852323.db2.gz QHIAUXKFLCQDMU-FQEVSTJZSA-N 0 3 419.554 4.092 20 30 HIEDHN COc1cc(CNCC2(CC#N)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000430039507 858006982 /nfs/dbraw/zinc/00/69/82/858006982.db2.gz YZAVSOQTDXHANM-UHFFFAOYSA-N 0 3 413.905 4.150 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN(CCc2ccccn2)Cc2cccnc2)cc1Cl ZINC000430344318 858128019 /nfs/dbraw/zinc/12/80/19/858128019.db2.gz OGWPITVOWQALGQ-UHFFFAOYSA-N 0 3 419.916 4.075 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000431060430 858426885 /nfs/dbraw/zinc/42/68/85/858426885.db2.gz YMEWLYDJUVNILY-RTWAWAEBSA-N 0 3 408.521 4.107 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011033 859476262 /nfs/dbraw/zinc/47/62/62/859476262.db2.gz MJWPWSVZJBBZIE-VXKWHMMOSA-N 0 3 419.525 4.146 20 30 HIEDHN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433016871 859479912 /nfs/dbraw/zinc/47/99/12/859479912.db2.gz VHCJOUWHJJBYQM-PKTZIBPZSA-N 0 3 421.541 4.392 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433020722 859482326 /nfs/dbraw/zinc/48/23/26/859482326.db2.gz TYFIXPUCBOIOOR-HSZRJFAPSA-N 0 3 424.976 4.009 20 30 HIEDHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433033723 859491794 /nfs/dbraw/zinc/49/17/94/859491794.db2.gz WJDODHHSKQBRTF-DEOSSOPVSA-N 0 3 415.541 4.130 20 30 HIEDHN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](O)COCC(F)(F)F ZINC000433188301 859560412 /nfs/dbraw/zinc/56/04/12/859560412.db2.gz CHINUAOAZJWYTD-LBPRGKRZSA-N 0 3 413.280 4.096 20 30 HIEDHN COc1ccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N2CCCC2)cc1 ZINC000438850247 864344780 /nfs/dbraw/zinc/34/47/80/864344780.db2.gz USTHHLQQCAAKGJ-GOTSBHOMSA-N 0 3 406.530 4.176 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000439127640 864563295 /nfs/dbraw/zinc/56/32/95/864563295.db2.gz BXDRZCVBYJJICY-QHCPKHFHSA-N 0 3 405.546 4.304 20 30 HIEDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C#N)cc2Cl)CC1 ZINC000439458773 864839124 /nfs/dbraw/zinc/83/91/24/864839124.db2.gz ULKGJUDPWFQGKK-INIZCTEOSA-N 0 3 400.929 4.343 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000439612742 864934348 /nfs/dbraw/zinc/93/43/48/864934348.db2.gz JYOIJQOKRVZTHU-MOPGFXCFSA-N 0 3 410.484 4.000 20 30 HIEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000441402881 866477054 /nfs/dbraw/zinc/47/70/54/866477054.db2.gz HZKOCTGHHXKBMX-GOSISDBHSA-N 0 3 402.947 4.208 20 30 HIEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC000442299401 867314138 /nfs/dbraw/zinc/31/41/38/867314138.db2.gz YAUFTIYVRDVEKA-UHFFFAOYSA-N 0 3 423.582 4.160 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc(OC)c1 ZINC000468240144 882137563 /nfs/dbraw/zinc/13/75/63/882137563.db2.gz DRLJSJKJQPBERH-JOCHJYFZSA-N 0 3 418.497 4.035 20 30 HIEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443672748 868279059 /nfs/dbraw/zinc/27/90/59/868279059.db2.gz HGXYOBKJURUNMX-KDURUIRLSA-N 0 3 423.582 4.329 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327763 882260951 /nfs/dbraw/zinc/26/09/51/882260951.db2.gz SGFVNMPAOPMVSY-CQSZACIVSA-N 0 3 400.350 4.053 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)CC1 ZINC000446282400 870215253 /nfs/dbraw/zinc/21/52/53/870215253.db2.gz GILUEWKFSPYIMS-UHFFFAOYSA-N 0 3 407.383 4.121 20 30 HIEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460769260 873615443 /nfs/dbraw/zinc/61/54/43/873615443.db2.gz HNZNZPUHSARGNT-LGGPRVQUSA-N 0 3 409.578 4.018 20 30 HIEDHN C=C(C)Cn1c(CC2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460964700 873861796 /nfs/dbraw/zinc/86/17/96/873861796.db2.gz VVHQFVRPQNHOCL-UHFFFAOYSA-N 0 3 418.589 4.171 20 30 HIEDHN Cc1cc(-c2cccc(F)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000462097618 875207264 /nfs/dbraw/zinc/20/72/64/875207264.db2.gz LVFRDHPVGNYLTK-UHFFFAOYSA-N 0 3 401.489 4.175 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000463484758 876542931 /nfs/dbraw/zinc/54/29/31/876542931.db2.gz OPHKAVOPBBKCJX-AWEZNQCLSA-N 0 3 420.376 4.076 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000463484859 876543204 /nfs/dbraw/zinc/54/32/04/876543204.db2.gz OPHKAVOPBBKCJX-CQSZACIVSA-N 0 3 420.376 4.076 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000463508266 876570013 /nfs/dbraw/zinc/57/00/13/876570013.db2.gz URLSZWSJTJXLKX-UHFFFAOYSA-N 0 3 403.448 4.100 20 30 HIEDHN C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CCN1Cc1ccccc1 ZINC000464833517 878092067 /nfs/dbraw/zinc/09/20/67/878092067.db2.gz FAZAGLDHFZSOQR-OAQYLSRUSA-N 0 3 414.553 4.334 20 30 HIEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464903274 878213829 /nfs/dbraw/zinc/21/38/29/878213829.db2.gz VNICPPAJPRVPDQ-GBXCKJPGSA-N 0 3 405.542 4.085 20 30 HIEDHN C=CCc1cc(CNCc2ccc(I)c(C)c2)cc(OC)c1O ZINC000466364529 880122208 /nfs/dbraw/zinc/12/22/08/880122208.db2.gz PBVWBPUGLXCJHC-UHFFFAOYSA-N 0 3 423.294 4.332 20 30 HIEDHN COc1ccccc1-n1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000467195508 880924876 /nfs/dbraw/zinc/92/48/76/880924876.db2.gz LLIVEGGSVRDYTI-AWEZNQCLSA-N 0 3 421.407 4.424 20 30 HIEDHN CCc1ccc([C@@H](NCCc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467432643 881230252 /nfs/dbraw/zinc/23/02/52/881230252.db2.gz DHGJDYARHJUVPM-RUZDIDTESA-N 0 3 418.562 4.446 20 30 HIEDHN N#Cc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1Cl ZINC000471117823 885654361 /nfs/dbraw/zinc/65/43/61/885654361.db2.gz XQUNEFWWYHJBKW-UHFFFAOYSA-N 0 3 400.832 4.138 20 30 HIEDHN C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000471132389 885670765 /nfs/dbraw/zinc/67/07/65/885670765.db2.gz WTGFLBAALOYXHE-HTAPYJJXSA-N 0 3 403.482 4.151 20 30 HIEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472452452 887306186 /nfs/dbraw/zinc/30/61/86/887306186.db2.gz LMCKCVSFKGDKJX-UHFFFAOYSA-N 0 3 422.495 4.284 20 30 HIEDHN CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472722890 887570652 /nfs/dbraw/zinc/57/06/52/887570652.db2.gz GILHPDJXLMDLLO-GOSISDBHSA-N 0 3 414.456 4.288 20 30 HIEDHN Cc1ccc2nc(C3CC3)cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2c1 ZINC000473597569 888341092 /nfs/dbraw/zinc/34/10/92/888341092.db2.gz NEENSSCUJUQBJY-UHFFFAOYSA-N 0 3 412.537 4.496 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)CC1 ZINC000473825600 888658694 /nfs/dbraw/zinc/65/86/94/888658694.db2.gz CPAYKWYHWNXZQU-RPWUZVMVSA-N 0 3 417.557 4.132 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474241143 889088529 /nfs/dbraw/zinc/08/85/29/889088529.db2.gz UFIOJJUBCODRKW-FPOVZHCZSA-N 0 3 422.598 4.083 20 30 HIEDHN CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474616851 889480558 /nfs/dbraw/zinc/48/05/58/889480558.db2.gz KAKFZWUVBPWQBM-SFHVURJKSA-N 0 3 402.420 4.315 20 30 HIEDHN N#CC[C@@H](CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000476428247 891340724 /nfs/dbraw/zinc/34/07/24/891340724.db2.gz NYEWVIRVMISBMY-XZOQPEGZSA-N 0 3 413.525 4.356 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000477044861 891972438 /nfs/dbraw/zinc/97/24/38/891972438.db2.gz QGDHXHXPOKDVEU-HXUWFJFHSA-N 0 3 420.395 4.110 20 30 HIEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(I)c1OC ZINC000477337897 892305010 /nfs/dbraw/zinc/30/50/10/892305010.db2.gz LTBBXDZSABKNIO-GFCCVEGCSA-N 0 3 422.266 4.031 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000477474712 892456388 /nfs/dbraw/zinc/45/63/88/892456388.db2.gz WGKOCXISCRUVDX-NRFANRHFSA-N 0 3 411.525 4.103 20 30 HIEDHN C[C@](C#N)(NC(=O)CNC1(c2cccc(Br)c2)CCCCC1)C1CC1 ZINC000477630464 892747286 /nfs/dbraw/zinc/74/72/86/892747286.db2.gz JGUPLRXLRNMXQS-LJQANCHMSA-N 0 3 404.352 4.007 20 30 HIEDHN Cc1cc(NC(=O)NCC(C)(C)CCC#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000477934898 893024463 /nfs/dbraw/zinc/02/44/63/893024463.db2.gz FXEJLIOLODKQJF-HXUWFJFHSA-N 0 3 408.550 4.090 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)CC1 ZINC000478614784 893876323 /nfs/dbraw/zinc/87/63/23/893876323.db2.gz JKZIHHFBHBQMMW-HXUWFJFHSA-N 0 3 408.384 4.270 20 30 HIEDHN Cc1ccc(OCCCC(=O)Nc2ccc(CNCc3cc(C#N)n(C)c3)cc2)cc1 ZINC000480652004 896020167 /nfs/dbraw/zinc/02/01/67/896020167.db2.gz KTUQMCBVCSLXAH-UHFFFAOYSA-N 0 3 416.525 4.293 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000505392676 914057656 /nfs/dbraw/zinc/05/76/56/914057656.db2.gz WVAZTSZXBZCUIH-UHFFFAOYSA-N 0 3 420.435 4.095 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481523074 896887613 /nfs/dbraw/zinc/88/76/13/896887613.db2.gz YBQRLPPZNBSVCG-DQEYMECFSA-N 0 3 418.585 4.433 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482375685 897900983 /nfs/dbraw/zinc/90/09/83/897900983.db2.gz BKYFKYAZMZRMIU-MRXNPFEDSA-N 0 3 421.410 4.231 20 30 HIEDHN Cc1nc2ccc(Br)cn2c1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000483716649 899374132 /nfs/dbraw/zinc/37/41/32/899374132.db2.gz ZZALXRNEXCMNPP-LBPRGKRZSA-N 0 3 403.305 4.475 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484719473 900150376 /nfs/dbraw/zinc/15/03/76/900150376.db2.gz NKKWSNUJWMLORB-REWPJTCUSA-N 0 3 409.578 4.387 20 30 HIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330730 900615856 /nfs/dbraw/zinc/61/58/56/900615856.db2.gz LKTFUJGHSGNYGI-YWZLYKJASA-N 0 3 417.431 4.346 20 30 HIEDHN C=CCSc1ccccc1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000485459618 900754283 /nfs/dbraw/zinc/75/42/83/900754283.db2.gz ACHWCCOJXGLQBU-UHFFFAOYSA-N 0 3 409.599 4.032 20 30 HIEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000486022290 901228421 /nfs/dbraw/zinc/22/84/21/901228421.db2.gz BOXQOLZOABIIOY-BTYIYWSLSA-N 0 3 409.896 4.423 20 30 HIEDHN C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000486246023 901428418 /nfs/dbraw/zinc/42/84/18/901428418.db2.gz UDAWDVWHWISTDY-UHFFFAOYSA-N 0 3 409.555 4.043 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000487067501 902044686 /nfs/dbraw/zinc/04/46/86/902044686.db2.gz PHGHRAOHGISRKG-MRXNPFEDSA-N 0 3 407.543 4.002 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000487067500 902045149 /nfs/dbraw/zinc/04/51/49/902045149.db2.gz PHGHRAOHGISRKG-INIZCTEOSA-N 0 3 407.543 4.002 20 30 HIEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000487381740 902172422 /nfs/dbraw/zinc/17/24/22/902172422.db2.gz UMZHHSAXNOXUKA-QGZVFWFLSA-N 0 3 406.448 4.378 20 30 HIEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000487468660 902220342 /nfs/dbraw/zinc/22/03/42/902220342.db2.gz FEMVWDGQNGOHGE-UHFFFAOYSA-N 0 3 417.509 4.243 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000487716688 902313590 /nfs/dbraw/zinc/31/35/90/902313590.db2.gz AZSVLWIRKWKAGR-UHFFFAOYSA-N 0 3 421.954 4.346 20 30 HIEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488296930 902759118 /nfs/dbraw/zinc/75/91/18/902759118.db2.gz KBWVAHGPSWDROJ-GOSISDBHSA-N 0 3 420.513 4.068 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456158 902832829 /nfs/dbraw/zinc/83/28/29/902832829.db2.gz GBZVTUAHWUXMEP-SFTDATJTSA-N 0 3 424.342 4.089 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456156 902832938 /nfs/dbraw/zinc/83/29/38/902832938.db2.gz GBZVTUAHWUXMEP-NHCUHLMSSA-N 0 3 424.342 4.089 20 30 HIEDHN C[C@@H]1C[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489077 902851720 /nfs/dbraw/zinc/85/17/20/902851720.db2.gz AEAOQAQPVNBQLI-XMCHAPAWSA-N 0 3 424.342 4.260 20 30 HIEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000489835747 903620484 /nfs/dbraw/zinc/62/04/84/903620484.db2.gz CBPKAKHPFQJNKZ-CQSZACIVSA-N 0 3 413.319 4.127 20 30 HIEDHN Cn1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490570255 904108514 /nfs/dbraw/zinc/10/85/14/904108514.db2.gz PVCIRUAOKKTWLD-XMMPIXPASA-N 0 3 400.526 4.182 20 30 HIEDHN C[C@H](Sc1ccccc1Cl)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000494358846 905659987 /nfs/dbraw/zinc/65/99/87/905659987.db2.gz BQXYZASLYIMKIO-INIZCTEOSA-N 0 3 401.963 4.283 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247912 906638302 /nfs/dbraw/zinc/63/83/02/906638302.db2.gz UPRWULIPEQRBIO-WYNBGMTASA-N 0 3 424.545 4.270 20 30 HIEDHN C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000512637499 921270319 /nfs/dbraw/zinc/27/03/19/921270319.db2.gz WKDPODDTSAIDDZ-HNNXBMFYSA-N 0 3 420.454 4.319 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000499208217 908563879 /nfs/dbraw/zinc/56/38/79/908563879.db2.gz OLABSYQLJHSOAX-UHFFFAOYSA-N 0 3 419.550 4.463 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1C#N ZINC000499624673 908859035 /nfs/dbraw/zinc/85/90/35/908859035.db2.gz ZJQGESXSRNXGKZ-UHFFFAOYSA-N 0 3 420.582 4.289 20 30 HIEDHN CC(C)c1nc(C2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)no1 ZINC000513026481 921486845 /nfs/dbraw/zinc/48/68/45/921486845.db2.gz BTFCULNPZXTULV-UHFFFAOYSA-N 0 3 404.518 4.350 20 30 HIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N(C)C)cc1 ZINC000500110822 909592756 /nfs/dbraw/zinc/59/27/56/909592756.db2.gz LKIDOPRBFWFDJN-XZOQPEGZSA-N 0 3 408.546 4.421 20 30 HIEDHN CC(C)(C)OC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000500121260 909603609 /nfs/dbraw/zinc/60/36/09/909603609.db2.gz ZMNKRCKTZQQFQI-UHFFFAOYSA-N 0 3 419.525 4.364 20 30 HIEDHN C/C(=C/c1ccccc1C(F)(F)F)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370047 909818121 /nfs/dbraw/zinc/81/81/21/909818121.db2.gz ZXOQQAIYEIDSOK-JQFUVSSDSA-N 0 3 413.443 4.371 20 30 HIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000501401796 910531438 /nfs/dbraw/zinc/53/14/38/910531438.db2.gz XJQNEWZNGKDVEA-DEOSSOPVSA-N 0 3 404.558 4.317 20 30 HIEDHN C=C(C)[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014768 910979392 /nfs/dbraw/zinc/97/93/92/910979392.db2.gz GEUZBUOWRVCCJY-SFTDATJTSA-N 0 3 403.473 4.193 20 30 HIEDHN CCCOc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc2ccccc21 ZINC000513299157 921697097 /nfs/dbraw/zinc/69/70/97/921697097.db2.gz CRVBXSNTMKCHEI-UHFFFAOYSA-N 0 3 416.525 4.099 20 30 HIEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000502900129 911891150 /nfs/dbraw/zinc/89/11/50/911891150.db2.gz XJWPDFKJKFHQCH-DEOSSOPVSA-N 0 3 420.557 4.131 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Br)c1Cl ZINC000503068516 912033383 /nfs/dbraw/zinc/03/33/83/912033383.db2.gz KRKGEWSFJVQSKF-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@H](c4nccs4)C3)sc2C1 ZINC000506562835 915210314 /nfs/dbraw/zinc/21/03/14/915210314.db2.gz QAVPEHWXQZXLAP-GJZGRUSLSA-N 0 3 414.600 4.409 20 30 HIEDHN N#CCCCOc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000507172267 915914533 /nfs/dbraw/zinc/91/45/33/915914533.db2.gz AFSPRCUFCFMTQV-NRFANRHFSA-N 0 3 413.468 4.465 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Nc3ccc(F)cc3)CC1)CCC2 ZINC000507980005 916826957 /nfs/dbraw/zinc/82/69/57/916826957.db2.gz QAZUOELBDFPPJN-UHFFFAOYSA-N 0 3 412.534 4.153 20 30 HIEDHN CC[C@@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252111 918787755 /nfs/dbraw/zinc/78/77/55/918787755.db2.gz DNZFFPQLMVDXDC-MGSYBHFQSA-N 0 3 401.551 4.064 20 30 HIEDHN Cc1ccc(Cc2nc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000511047260 919638657 /nfs/dbraw/zinc/63/86/57/919638657.db2.gz XZGNSRGJJWJIRQ-UHFFFAOYSA-N 0 3 418.566 4.118 20 30 HIEDHN C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CCN(C)CC1 ZINC000511254961 919857151 /nfs/dbraw/zinc/85/71/51/919857151.db2.gz SVDKQTIZCGYNTK-SFHVURJKSA-N 0 3 406.505 4.060 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490089 921842233 /nfs/dbraw/zinc/84/22/33/921842233.db2.gz LXSGNUNKLBETQQ-DNVCBOLYSA-N 0 3 423.542 4.449 20 30 HIEDHN N#Cc1ccc(N2CCC(N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000513659302 921981035 /nfs/dbraw/zinc/98/10/35/921981035.db2.gz BHRIYFAPXYXVDH-RUZDIDTESA-N 0 3 410.521 4.497 20 30 HIEDHN N#Cc1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000513922469 922246278 /nfs/dbraw/zinc/24/62/78/922246278.db2.gz RGEBIAZYHPSATO-RBBKRZOGSA-N 0 3 416.912 4.005 20 30 HIEDHN CC1CCN(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000514222082 922557461 /nfs/dbraw/zinc/55/74/61/922557461.db2.gz LYDJSAGNJQVNQC-UHFFFAOYSA-N 0 3 408.521 4.141 20 30 HIEDHN CN(C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000515375130 923070359 /nfs/dbraw/zinc/07/03/59/923070359.db2.gz YJKITHVOEWERAC-FQEVSTJZSA-N 0 3 405.527 4.030 20 30 HIEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000517331978 924108593 /nfs/dbraw/zinc/10/85/93/924108593.db2.gz YCLZWBNKHUNIBM-JOCHJYFZSA-N 0 3 402.542 4.249 20 30 HIEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(C#N)s2)CC1 ZINC000517449810 924197913 /nfs/dbraw/zinc/19/79/13/924197913.db2.gz ZWQPUANNUDTNTM-UHFFFAOYSA-N 0 3 418.360 4.119 20 30 HIEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517761649 926825094 /nfs/dbraw/zinc/82/50/94/926825094.db2.gz NCWOKEYCDFGBRK-AQNXPRMDSA-N 0 3 403.615 4.083 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000518496964 927308785 /nfs/dbraw/zinc/30/87/85/927308785.db2.gz OJCBENDKIKTFEP-UHFFFAOYSA-N 0 3 400.954 4.419 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1 ZINC000518582411 927362662 /nfs/dbraw/zinc/36/26/62/927362662.db2.gz WNJXVTKCFBCSPK-UHFFFAOYSA-N 0 3 407.518 4.411 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000520053904 928278254 /nfs/dbraw/zinc/27/82/54/928278254.db2.gz GWEXFEKJQFXKES-QHCPKHFHSA-N 0 3 420.557 4.234 20 30 HIEDHN N#Cc1c(NC(=O)CCCN2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000520326001 928489338 /nfs/dbraw/zinc/48/93/38/928489338.db2.gz HAWZKUUTWDPGIA-UHFFFAOYSA-N 0 3 408.571 4.039 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000520691669 928738606 /nfs/dbraw/zinc/73/86/06/928738606.db2.gz ACIJPNBBPGMERE-IBGZPJMESA-N 0 3 408.546 4.061 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000521121189 929007459 /nfs/dbraw/zinc/00/74/59/929007459.db2.gz BUPGIJXZENDWIL-QFIPXVFZSA-N 0 3 408.502 4.130 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000521584053 929311166 /nfs/dbraw/zinc/31/11/66/929311166.db2.gz DXLGIIRLZIMJLB-UHFFFAOYSA-N 0 3 407.558 4.148 20 30 HIEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802571 930449410 /nfs/dbraw/zinc/44/94/10/930449410.db2.gz WEEPWQGUSMZTKM-OXQOHEQNSA-N 0 3 423.513 4.338 20 30 HIEDHN COc1ccc([C@H](NCCCC(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000531648523 931139395 /nfs/dbraw/zinc/13/93/95/931139395.db2.gz IISNQAWVMUCGNS-NRFANRHFSA-N 0 3 400.544 4.108 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1ccccc1 ZINC000534754269 932731715 /nfs/dbraw/zinc/73/17/15/932731715.db2.gz DJKDIOGVYFPIGO-LOSJGSFVSA-N 0 3 411.505 4.312 20 30 HIEDHN C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000537293653 933700849 /nfs/dbraw/zinc/70/08/49/933700849.db2.gz ZHEZWSOOKKKGQX-CQSZACIVSA-N 0 3 421.360 4.224 20 30 HIEDHN C[C@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000537293652 933701267 /nfs/dbraw/zinc/70/12/67/933701267.db2.gz ZHEZWSOOKKKGQX-AWEZNQCLSA-N 0 3 421.360 4.224 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC(CN3CCCCC3=O)CC2)c1 ZINC000537635678 938342509 /nfs/dbraw/zinc/34/25/09/938342509.db2.gz JUBXZXJOXOVYOR-UHFFFAOYSA-N 0 3 417.553 4.362 20 30 HIEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538128426 938513265 /nfs/dbraw/zinc/51/32/65/938513265.db2.gz COTAOJBQCGBXIN-GOSISDBHSA-N 0 3 412.493 4.490 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000538186188 938543340 /nfs/dbraw/zinc/54/33/40/938543340.db2.gz CRNMEVAZWWRHSS-QZTJIDSGSA-N 0 3 419.554 4.413 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)ccc1Cl ZINC000538188334 938544568 /nfs/dbraw/zinc/54/45/68/938544568.db2.gz SIHPTXNFLHNIAP-SFHVURJKSA-N 0 3 421.932 4.432 20 30 HIEDHN N#CCCn1cc(CN[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000538501140 938636675 /nfs/dbraw/zinc/63/66/75/938636675.db2.gz SIZSCYWBTYJKBM-IBGZPJMESA-N 0 3 419.916 4.012 20 30 HIEDHN C=CCN(Cc1ccc(OC(C)C)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731706 938695204 /nfs/dbraw/zinc/69/52/04/938695204.db2.gz HHODLHRUNGWQOX-SFHVURJKSA-N 0 3 407.518 4.207 20 30 HIEDHN Cc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cc1 ZINC000539234981 938823054 /nfs/dbraw/zinc/82/30/54/938823054.db2.gz YCJNKHKRMAJMRF-UYAOXDASSA-N 0 3 420.557 4.015 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC(C)(C)c2cccc(C)c2)c1C#N ZINC000540415312 939240135 /nfs/dbraw/zinc/24/01/35/939240135.db2.gz NPCPRZQEJRGAOI-UHFFFAOYSA-N 0 3 404.514 4.390 20 30 HIEDHN Cc1ccnc(OC2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000542185113 939748308 /nfs/dbraw/zinc/74/83/08/939748308.db2.gz MKRHXRQGOTZKRM-UHFFFAOYSA-N 0 3 401.514 4.211 20 30 HIEDHN Cc1ccsc1[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000542526754 939837411 /nfs/dbraw/zinc/83/74/11/939837411.db2.gz PSKNXIKNRWPXSE-NRFANRHFSA-N 0 3 410.564 4.276 20 30 HIEDHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000543074158 939926399 /nfs/dbraw/zinc/92/63/99/939926399.db2.gz MBCDAALDPNKOHF-HTAPYJJXSA-N 0 3 404.514 4.387 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2)cc1 ZINC000543759475 940176690 /nfs/dbraw/zinc/17/66/90/940176690.db2.gz BMWNQRHZEYTCHL-JOCHJYFZSA-N 0 3 409.505 4.332 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000563783195 945301057 /nfs/dbraw/zinc/30/10/57/945301057.db2.gz UVEOHKIIJVUSBA-DEOSSOPVSA-N 0 3 417.534 4.040 20 30 HIEDHN Cc1nc([C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)no1 ZINC000543769243 940181016 /nfs/dbraw/zinc/18/10/16/940181016.db2.gz CJKQRGMGNPCBDY-JOCHJYFZSA-N 0 3 421.932 4.247 20 30 HIEDHN C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000543861592 940214267 /nfs/dbraw/zinc/21/42/67/940214267.db2.gz SIPKSTLEJMHIAF-IAGOWNOFSA-N 0 3 412.493 4.002 20 30 HIEDHN N#Cc1ccc(CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C2CC2)cc1 ZINC000544277842 940377262 /nfs/dbraw/zinc/37/72/62/940377262.db2.gz ODODDUWFJMGBMB-UHFFFAOYSA-N 0 3 420.582 4.346 20 30 HIEDHN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000549667475 941203695 /nfs/dbraw/zinc/20/36/95/941203695.db2.gz ANLJNPWHJXVWFJ-UHFFFAOYSA-N 0 3 411.594 4.129 20 30 HIEDHN N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)c2)cc1 ZINC000552199505 941600252 /nfs/dbraw/zinc/60/02/52/941600252.db2.gz ZZMRVLXYTFNZLR-QFIPXVFZSA-N 0 3 413.477 4.169 20 30 HIEDHN N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)c2)cc1 ZINC000552199504 941600704 /nfs/dbraw/zinc/60/07/04/941600704.db2.gz ZZMRVLXYTFNZLR-JOCHJYFZSA-N 0 3 413.477 4.169 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268119 941618219 /nfs/dbraw/zinc/61/82/19/941618219.db2.gz AHGNLIPYSQROQE-FPVCRCAZSA-N 0 3 405.542 4.263 20 30 HIEDHN N#Cc1cccc(CC(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000552851234 941788263 /nfs/dbraw/zinc/78/82/63/941788263.db2.gz PMJMHGUFWRXOTJ-AREMUKBSSA-N 0 3 424.548 4.189 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000554177690 942059000 /nfs/dbraw/zinc/05/90/00/942059000.db2.gz VXQBJPNERXPHFN-CVDCTZTESA-N 0 3 420.557 4.314 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000554294568 942094111 /nfs/dbraw/zinc/09/41/11/942094111.db2.gz MCHOXVWDXGNMQL-SJORKVTESA-N 0 3 402.560 4.328 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445339 942146013 /nfs/dbraw/zinc/14/60/13/942146013.db2.gz IKYWDEKNYKUHMV-AVRDEDQJSA-N 0 3 402.498 4.325 20 30 HIEDHN CN(C)CCn1nccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000554631508 942179766 /nfs/dbraw/zinc/17/97/66/942179766.db2.gz DWPSOIUCGAXKLO-UHFFFAOYSA-N 0 3 409.877 4.014 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C3(CCC3)C1)CCC2 ZINC000554847811 942284650 /nfs/dbraw/zinc/28/46/50/942284650.db2.gz FUXRWQHYCFTDMK-MRXNPFEDSA-N 0 3 411.493 4.492 20 30 HIEDHN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 ZINC000555263752 942452454 /nfs/dbraw/zinc/45/24/54/942452454.db2.gz JAEHKIWAZGJHKX-UHFFFAOYSA-N 0 3 413.541 4.027 20 30 HIEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000556104754 942805790 /nfs/dbraw/zinc/80/57/90/942805790.db2.gz KAILZSUGNCOZOT-UGKGYDQZSA-N 0 3 417.525 4.216 20 30 HIEDHN N#Cc1cccc(OC2CCN(CCOc3ccc(Br)cc3)CC2)c1 ZINC000557019691 942995739 /nfs/dbraw/zinc/99/57/39/942995739.db2.gz LBUGWVMOHSCQIC-UHFFFAOYSA-N 0 3 401.304 4.243 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000558476060 943570396 /nfs/dbraw/zinc/57/03/96/943570396.db2.gz JHGPETGRMIYNJU-YWMUFLPLSA-N 0 3 413.587 4.107 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558532141 943590242 /nfs/dbraw/zinc/59/02/42/943590242.db2.gz ITJCOOSGYLGTNC-CQSZACIVSA-N 0 3 424.800 4.329 20 30 HIEDHN CN(C)c1noc([C@H]2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000558742961 943637564 /nfs/dbraw/zinc/63/75/64/943637564.db2.gz QQCZWXQCOYKIKS-FQEVSTJZSA-N 0 3 415.541 4.215 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(OC3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000561288884 944541308 /nfs/dbraw/zinc/54/13/08/944541308.db2.gz JBBITEPUFJKAFY-UHFFFAOYSA-N 0 3 401.514 4.470 20 30 HIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000562050297 944911877 /nfs/dbraw/zinc/91/18/77/944911877.db2.gz YHUMQPBRVNZXSM-OAQYLSRUSA-N 0 3 422.573 4.243 20 30 HIEDHN C[C@@H]1CN(Cc2ccc(CNCc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000564416078 945569329 /nfs/dbraw/zinc/56/93/29/945569329.db2.gz XFLWSTNJXZWRTP-CALCHBBNSA-N 0 3 417.475 4.476 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000564762519 945753326 /nfs/dbraw/zinc/75/33/26/945753326.db2.gz YEHPLXCWFSRXPC-UHFFFAOYSA-N 0 3 408.889 4.348 20 30 HIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)N(C)C)cc1 ZINC000568314563 946502208 /nfs/dbraw/zinc/50/22/08/946502208.db2.gz DCBIVBIBQSKJEC-JOCHJYFZSA-N 0 3 418.497 4.033 20 30 HIEDHN COc1ccc(C[C@@H]2CCCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812554 946711109 /nfs/dbraw/zinc/71/11/09/946711109.db2.gz REQMPKALTXUEFK-IRLDBZIGSA-N 0 3 405.542 4.285 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402322 946868404 /nfs/dbraw/zinc/86/84/04/946868404.db2.gz UWQZMYMGRIKAEI-OXQOHEQNSA-N 0 3 407.470 4.182 20 30 HIEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000571216689 947551937 /nfs/dbraw/zinc/55/19/37/947551937.db2.gz MQWVHJDYYIMOHZ-AWEZNQCLSA-N 0 3 417.431 4.085 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000571898911 947807945 /nfs/dbraw/zinc/80/79/45/947807945.db2.gz UPYKEMRPOSXSCP-QFIPXVFZSA-N 0 3 402.546 4.017 20 30 HIEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573142563 948087681 /nfs/dbraw/zinc/08/76/81/948087681.db2.gz ARYBCZSLWITYCQ-IEBWSBKVSA-N 0 3 409.839 4.487 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc(Cl)n1 ZINC001164629779 719076057 /nfs/dbraw/zinc/07/60/57/719076057.db2.gz YZQKCHIDSALNDA-QFBILLFUSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627782 719080049 /nfs/dbraw/zinc/08/00/49/719080049.db2.gz QRDBBRAFOLNEFY-LPHOPBHVSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001164629903 719081154 /nfs/dbraw/zinc/08/11/54/719081154.db2.gz ZVNQEGFZFGKJBN-QZTJIDSGSA-N 0 3 402.876 4.252 20 30 HIEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164725337 720490059 /nfs/dbraw/zinc/49/00/59/720490059.db2.gz JUHUNRYJKBQUOB-WOJBJXKFSA-N 0 3 421.907 4.456 20 30 HIEDHN COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1F ZINC000007919540 845447496 /nfs/dbraw/zinc/44/74/96/845447496.db2.gz ABDVNUBBSWFCKX-UHFFFAOYSA-N 0 3 401.507 4.107 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309481 861613380 /nfs/dbraw/zinc/61/33/80/861613380.db2.gz SIEILYDSGKORBB-NYVOZVTQSA-N 0 3 419.974 4.404 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045233709 848649663 /nfs/dbraw/zinc/64/96/63/848649663.db2.gz XQOZWOCHCPBUSD-HXUWFJFHSA-N 0 3 412.534 4.008 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000060575966 851153752 /nfs/dbraw/zinc/15/37/52/851153752.db2.gz MNMADSZRQJTTJL-UHFFFAOYSA-N 0 3 412.965 4.263 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1-c1ccccc1 ZINC000065930821 852320458 /nfs/dbraw/zinc/32/04/58/852320458.db2.gz ADTJCWLXGODTAH-UHFFFAOYSA-N 0 3 413.521 4.194 20 30 HIEDHN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000079040867 852538758 /nfs/dbraw/zinc/53/87/58/852538758.db2.gz ZZRHDIPTBAUCAX-OAHLLOKOSA-N 0 3 420.340 4.223 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000107602862 852780749 /nfs/dbraw/zinc/78/07/49/852780749.db2.gz AZIASWJOOMKXPP-UHFFFAOYSA-N 0 3 407.461 4.374 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000110986420 853181223 /nfs/dbraw/zinc/18/12/23/853181223.db2.gz DHXASBHGQQDOIP-UHFFFAOYSA-N 0 3 417.475 4.312 20 30 HIEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000138592713 853392299 /nfs/dbraw/zinc/39/22/99/853392299.db2.gz APFGPTZAXQGVKT-ZDUSSCGKSA-N 0 3 417.227 4.279 20 30 HIEDHN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCCCC#N ZINC000147194985 853584074 /nfs/dbraw/zinc/58/40/74/853584074.db2.gz UCTWBISWQPOFIQ-LJQANCHMSA-N 0 3 409.530 4.065 20 30 HIEDHN Cc1nc2cc(C(=O)C(C#N)c3nnc4n3CCCCC4)ccc2n1-c1ccccc1 ZINC000195556721 853682838 /nfs/dbraw/zinc/68/28/38/853682838.db2.gz GNENXBBTSSNGOV-IBGZPJMESA-N 0 3 410.481 4.142 20 30 HIEDHN Cc1nccn1-c1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000237651251 854068049 /nfs/dbraw/zinc/06/80/49/854068049.db2.gz NRBXZCNQKWVHRN-UHFFFAOYSA-N 0 3 414.488 4.387 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000303328250 854874325 /nfs/dbraw/zinc/87/43/25/854874325.db2.gz NCVIHERBRNKUDR-UHFFFAOYSA-N 0 3 410.543 4.396 20 30 HIEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000303348837 854886275 /nfs/dbraw/zinc/88/62/75/854886275.db2.gz XVHYTEYRDMTUBH-AWEZNQCLSA-N 0 3 401.963 4.294 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000303619660 855081674 /nfs/dbraw/zinc/08/16/74/855081674.db2.gz CXOTYBFWPDPWCR-IOJLRTSASA-N 0 3 414.619 4.216 20 30 HIEDHN N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428666196 857293549 /nfs/dbraw/zinc/29/35/49/857293549.db2.gz GXJMEZZKRXYAFJ-IBGZPJMESA-N 0 3 408.452 4.088 20 30 HIEDHN CN(C)CCN(C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000428871222 857379998 /nfs/dbraw/zinc/37/99/98/857379998.db2.gz HTGNKCOULRIYJP-UHFFFAOYSA-N 0 3 406.408 4.395 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cncn1Cc1ccccc1 ZINC000437602446 862916177 /nfs/dbraw/zinc/91/61/77/862916177.db2.gz MTFLWTOLMWSDII-UHFFFAOYSA-N 0 3 422.602 4.030 20 30 HIEDHN N#CCCn1ncc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1-c1ccccc1 ZINC000429725538 857851376 /nfs/dbraw/zinc/85/13/76/857851376.db2.gz SLTCJRSPGNMSPU-QHCPKHFHSA-N 0 3 413.525 4.031 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000429837318 857904323 /nfs/dbraw/zinc/90/43/23/857904323.db2.gz LBPKLPFMVKDHKB-UHFFFAOYSA-N 0 3 402.523 4.157 20 30 HIEDHN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNCC2(CC#N)CC2)c1 ZINC000430041674 858008155 /nfs/dbraw/zinc/00/81/55/858008155.db2.gz ALBSFLMZNMYQBZ-UHFFFAOYSA-N 0 3 402.498 4.340 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cl)c(CN4CCOCC4)c3)CC2)cc1 ZINC000430760474 858293183 /nfs/dbraw/zinc/29/31/83/858293183.db2.gz JAARHRKCRPFIJC-UHFFFAOYSA-N 0 3 424.976 4.120 20 30 HIEDHN N#CCCC[C@@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000433029196 859488327 /nfs/dbraw/zinc/48/83/27/859488327.db2.gz RHMHSAWZFOUNJG-LJQANCHMSA-N 0 3 421.360 4.248 20 30 HIEDHN N#CCCC[C@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000433027771 859488551 /nfs/dbraw/zinc/48/85/51/859488551.db2.gz MPQWZEQIBWYFOJ-SFHVURJKSA-N 0 3 413.905 4.465 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000437847382 863203552 /nfs/dbraw/zinc/20/35/52/863203552.db2.gz ZDRRFPJLZFQCBG-IBGZPJMESA-N 0 3 406.530 4.474 20 30 HIEDHN N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)cc2Cl)cc1 ZINC000437896995 863267092 /nfs/dbraw/zinc/26/70/92/863267092.db2.gz NEAKOKIDICJVSC-GOSISDBHSA-N 0 3 408.889 4.482 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438257606 863723858 /nfs/dbraw/zinc/72/38/58/863723858.db2.gz MHECHQYEXDWRCC-UHFFFAOYSA-N 0 3 404.436 4.259 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000438637527 864070956 /nfs/dbraw/zinc/07/09/56/864070956.db2.gz PCFYGONQDIYCJG-UHFFFAOYSA-N 0 3 406.246 4.240 20 30 HIEDHN CC1(C)CN(C2(CNC(=O)N[C@@H](CCC#N)c3ccccc3)CCCCC2)CCO1 ZINC000440249558 865490717 /nfs/dbraw/zinc/49/07/17/865490717.db2.gz PEXYEVNSEYLOGH-NRFANRHFSA-N 0 3 412.578 4.144 20 30 HIEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000441492570 866575755 /nfs/dbraw/zinc/57/57/55/866575755.db2.gz PWHVAIOZQJCHKC-QHCPKHFHSA-N 0 3 415.541 4.485 20 30 HIEDHN CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000441492569 866575882 /nfs/dbraw/zinc/57/58/82/866575882.db2.gz PWHVAIOZQJCHKC-HSZRJFAPSA-N 0 3 415.541 4.485 20 30 HIEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CCN1Cc1ccccc1 ZINC000441623466 866724019 /nfs/dbraw/zinc/72/40/19/866724019.db2.gz UEPPMVMLAQFTNQ-HXUWFJFHSA-N 0 3 424.976 4.183 20 30 HIEDHN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000443062437 867806556 /nfs/dbraw/zinc/80/65/56/867806556.db2.gz AZEGAUVCCUZIQC-ZHRMCQFGSA-N 0 3 405.546 4.028 20 30 HIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651627 868246620 /nfs/dbraw/zinc/24/66/20/868246620.db2.gz FGMWOCFTJAVVJL-UYAOXDASSA-N 0 3 410.489 4.315 20 30 HIEDHN Cc1cc(CN[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000443999207 868520934 /nfs/dbraw/zinc/52/09/34/868520934.db2.gz BVQZARGQMKUFBX-HXUWFJFHSA-N 0 3 401.432 4.166 20 30 HIEDHN CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445895084 869876277 /nfs/dbraw/zinc/87/62/77/869876277.db2.gz DXYXUEWICJRZNP-SFHVURJKSA-N 0 3 414.303 4.105 20 30 HIEDHN COc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1OCCCC#N ZINC000446829909 870746369 /nfs/dbraw/zinc/74/63/69/870746369.db2.gz MPJIHRCWCLJLAX-UHFFFAOYSA-N 0 3 408.542 4.195 20 30 HIEDHN CCC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468516961 882525926 /nfs/dbraw/zinc/52/59/26/882525926.db2.gz NRZZVJKCUXQCGF-QFIPXVFZSA-N 0 3 414.500 4.451 20 30 HIEDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541273 882578725 /nfs/dbraw/zinc/57/87/25/882578725.db2.gz FOCCDVNGGDDWIB-AWEZNQCLSA-N 0 3 414.365 4.381 20 30 HIEDHN CCn1c(CC2CCCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460215383 872801462 /nfs/dbraw/zinc/80/14/62/872801462.db2.gz MSJPFESCANDDPM-UHFFFAOYSA-N 0 3 406.578 4.005 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460783562 873640862 /nfs/dbraw/zinc/64/08/62/873640862.db2.gz PDSYNSLMTDTJAX-KURKYZTESA-N 0 3 401.530 4.052 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000462247298 875365028 /nfs/dbraw/zinc/36/50/28/875365028.db2.gz NAVPFSQRXDAIQH-INIZCTEOSA-N 0 3 403.448 4.271 20 30 HIEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203725 876264821 /nfs/dbraw/zinc/26/48/21/876264821.db2.gz QKFYPERLRLLBCP-CIQXWFTPSA-N 0 3 417.981 4.238 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000464835348 878096433 /nfs/dbraw/zinc/09/64/33/878096433.db2.gz HYYGFYXPNFRXCO-QHCPKHFHSA-N 0 3 418.585 4.147 20 30 HIEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464839329 878102888 /nfs/dbraw/zinc/10/28/88/878102888.db2.gz PUMJGLVMTCNBRV-ROUUACIJSA-N 0 3 422.598 4.032 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465747201 879333423 /nfs/dbraw/zinc/33/34/23/879333423.db2.gz FQDPSPINXSUYCY-DLTYFMDKSA-N 0 3 402.542 4.303 20 30 HIEDHN Cc1cc(C(F)(F)F)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000466853956 880623078 /nfs/dbraw/zinc/62/30/78/880623078.db2.gz FTKCHAWQRAUFEL-UHFFFAOYSA-N 0 3 418.463 4.159 20 30 HIEDHN COc1ccccc1-n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000467189080 880915678 /nfs/dbraw/zinc/91/56/78/880915678.db2.gz CVLTVGNENOSDKJ-AWEZNQCLSA-N 0 3 400.360 4.093 20 30 HIEDHN C=CCN(Cc1ccc2c(c1)COC(C)(C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899779 884088661 /nfs/dbraw/zinc/08/86/61/884088661.db2.gz UCHVXQFWMKKGQG-KRWDZBQOSA-N 0 3 405.502 4.057 20 30 HIEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000470182439 884471186 /nfs/dbraw/zinc/47/11/86/884471186.db2.gz GZLZWCDHCYSQNU-SFQUDFHCSA-N 0 3 404.470 4.220 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1Br ZINC000471203881 885774057 /nfs/dbraw/zinc/77/40/57/885774057.db2.gz MACATAZARIHCDD-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN N#CCCn1cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccccc2)n1 ZINC000473072402 887890131 /nfs/dbraw/zinc/89/01/31/887890131.db2.gz VFILITCNFUGYOD-UHFFFAOYSA-N 0 3 418.516 4.172 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173892 887950767 /nfs/dbraw/zinc/95/07/67/887950767.db2.gz WWXPJIWEAWWAGZ-VOIUYBSRSA-N 0 3 421.566 4.205 20 30 HIEDHN Cc1ccc2nc(C3CC3)cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000473649898 888397638 /nfs/dbraw/zinc/39/76/38/888397638.db2.gz QYALSEBIUSUFFZ-UHFFFAOYSA-N 0 3 412.537 4.496 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000477474716 892457602 /nfs/dbraw/zinc/45/76/02/892457602.db2.gz WGKOCXISCRUVDX-OAQYLSRUSA-N 0 3 411.525 4.103 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000477647428 892774344 /nfs/dbraw/zinc/77/43/44/892774344.db2.gz FTMQSXVRVAFDLL-UHFFFAOYSA-N 0 3 406.452 4.110 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841489 892900203 /nfs/dbraw/zinc/90/02/03/892900203.db2.gz AOUIAUJMFLGVAR-QAPCUYQASA-N 0 3 407.436 4.079 20 30 HIEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000480555732 895917219 /nfs/dbraw/zinc/91/72/19/895917219.db2.gz ODGDIXWFQWIJLI-UHFFFAOYSA-N 0 3 406.427 4.193 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccc(F)cc1F ZINC000505434499 914097905 /nfs/dbraw/zinc/09/79/05/914097905.db2.gz XTPARDRRYIVJEA-OAHLLOKOSA-N 0 3 409.392 4.244 20 30 HIEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@H](C)O1 ZINC000481679939 897063517 /nfs/dbraw/zinc/06/35/17/897063517.db2.gz WMHDPHWNIDTPRF-HHJKRLRDSA-N 0 3 417.553 4.365 20 30 HIEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130450 897588003 /nfs/dbraw/zinc/58/80/03/897588003.db2.gz DYSWIMVHNSJPKK-JOCHJYFZSA-N 0 3 415.541 4.171 20 30 HIEDHN CC(C)(C#N)c1ccccc1CN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482886053 898501315 /nfs/dbraw/zinc/50/13/15/898501315.db2.gz IHRKWJFCZKNIDZ-UHFFFAOYSA-N 0 3 413.521 4.306 20 30 HIEDHN CCCC[C@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088264 898774866 /nfs/dbraw/zinc/77/48/66/898774866.db2.gz KNCYZGXTIOPNMI-VQTJNVASSA-N 0 3 406.368 4.253 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349979 899899327 /nfs/dbraw/zinc/89/93/27/899899327.db2.gz KUWFACFIQHGUPB-APWZRJJASA-N 0 3 401.469 4.074 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000505768032 914435791 /nfs/dbraw/zinc/43/57/91/914435791.db2.gz WAGRJLRGNAGKFA-UHFFFAOYSA-N 0 3 406.408 4.053 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1 ZINC000505770077 914437682 /nfs/dbraw/zinc/43/76/82/914437682.db2.gz ATJZMHNZSSVYMF-AWEZNQCLSA-N 0 3 415.421 4.351 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000505785299 914452525 /nfs/dbraw/zinc/45/25/25/914452525.db2.gz STGMHVUDCXXHOV-UHFFFAOYSA-N 0 3 420.435 4.095 20 30 HIEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486857679 901902477 /nfs/dbraw/zinc/90/24/77/901902477.db2.gz RHWLTAFHPMYOEW-HYBUGGRVSA-N 0 3 400.482 4.171 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487740975 902333832 /nfs/dbraw/zinc/33/38/32/902333832.db2.gz PQOBYCOPJJFSKV-RPWUZVMVSA-N 0 3 404.558 4.358 20 30 HIEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499379 902856757 /nfs/dbraw/zinc/85/67/57/902856757.db2.gz OGVMKXVIBONVGS-UXHICEINSA-N 0 3 412.331 4.163 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(OC)c1 ZINC000505994785 914665724 /nfs/dbraw/zinc/66/57/24/914665724.db2.gz DVCPQDIJXQBWJJ-QFIPXVFZSA-N 0 3 411.521 4.183 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(OC)c1 ZINC000505994784 914665440 /nfs/dbraw/zinc/66/54/40/914665440.db2.gz DVCPQDIJXQBWJJ-JOCHJYFZSA-N 0 3 411.521 4.183 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000488809443 903014744 /nfs/dbraw/zinc/01/47/44/903014744.db2.gz NNECWEJQFHFEJN-GOSISDBHSA-N 0 3 406.368 4.022 20 30 HIEDHN C=CCC[C@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccccc1 ZINC000488818519 903022287 /nfs/dbraw/zinc/02/22/87/903022287.db2.gz QTNNTNPQUNDJCB-QHCPKHFHSA-N 0 3 405.542 4.201 20 30 HIEDHN C=CCOc1ccc(CN(Cc2cnc(N3CCOCC3)s2)C(C)(C)C)cc1 ZINC000506045251 914740740 /nfs/dbraw/zinc/74/07/40/914740740.db2.gz ARZGTOZHPQKZKI-UHFFFAOYSA-N 0 3 401.576 4.345 20 30 HIEDHN C=CCN1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491041269 904392614 /nfs/dbraw/zinc/39/26/14/904392614.db2.gz TYPCAZKLXSOOJI-QFIPXVFZSA-N 0 3 418.990 4.073 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000491390239 904573961 /nfs/dbraw/zinc/57/39/61/904573961.db2.gz SIROTXQUDJMHSB-UHFFFAOYSA-N 0 3 424.398 4.034 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(Cl)c1Cl ZINC000506209088 914845712 /nfs/dbraw/zinc/84/57/12/914845712.db2.gz PPSIKUVRBISIRV-UHFFFAOYSA-N 0 3 419.356 4.181 20 30 HIEDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512417532 921145349 /nfs/dbraw/zinc/14/53/49/921145349.db2.gz ZFWXWCLMYHIQNG-QHCPKHFHSA-N 0 3 405.542 4.266 20 30 HIEDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491645 905777482 /nfs/dbraw/zinc/77/74/82/905777482.db2.gz JGGSPIBWXUDXMU-PFZSIIPOSA-N 0 3 403.954 4.079 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@H](OCC3CC3)C2)sc2c1CCCCC2 ZINC000494714251 905917007 /nfs/dbraw/zinc/91/70/07/905917007.db2.gz WKAUNIMHAPAYES-KRWDZBQOSA-N 0 3 401.576 4.108 20 30 HIEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495008248 906169436 /nfs/dbraw/zinc/16/94/36/906169436.db2.gz XCHURQNCMYBWKW-VQQMMKBISA-N 0 3 424.589 4.009 20 30 HIEDHN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498267995 907805414 /nfs/dbraw/zinc/80/54/14/907805414.db2.gz RMZRMIFGXUQBKK-HNNXBMFYSA-N 0 3 420.340 4.223 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000498380461 907869933 /nfs/dbraw/zinc/86/99/33/907869933.db2.gz IIBUIOZUZAZOIN-PMACEKPBSA-N 0 3 415.459 4.271 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000512899862 921392425 /nfs/dbraw/zinc/39/24/25/921392425.db2.gz BFSHMGNRYIUBKQ-XMMPIXPASA-N 0 3 420.557 4.346 20 30 HIEDHN C[S@@](=O)Cc1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000513100188 921548417 /nfs/dbraw/zinc/54/84/17/921548417.db2.gz HVVFXLSGJPBASE-GDLZYMKVSA-N 0 3 404.535 4.306 20 30 HIEDHN N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)cc2)nc1 ZINC000513260534 921664523 /nfs/dbraw/zinc/66/45/23/921664523.db2.gz GZWUFZSVOVWMIO-QFIPXVFZSA-N 0 3 412.493 4.140 20 30 HIEDHN N#Cc1ccc(C2=CCN(CCC(=O)Nc3ccccc3Br)CC2)cc1 ZINC000502495732 911498193 /nfs/dbraw/zinc/49/81/93/911498193.db2.gz OOKDAHUURCMGCL-UHFFFAOYSA-N 0 3 410.315 4.439 20 30 HIEDHN N#CCCn1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000506293437 914888815 /nfs/dbraw/zinc/88/88/15/914888815.db2.gz FTPLMUWMFUKLOJ-UHFFFAOYSA-N 0 3 417.532 4.311 20 30 HIEDHN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000506540112 915186176 /nfs/dbraw/zinc/18/61/76/915186176.db2.gz MUSMOAJQJKHHBD-UHFFFAOYSA-N 0 3 414.509 4.285 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H](c4nccs4)C3)sc2C1 ZINC000506562836 915210868 /nfs/dbraw/zinc/21/08/68/915210868.db2.gz QAVPEHWXQZXLAP-HUUCEWRRSA-N 0 3 414.600 4.409 20 30 HIEDHN COc1ccccc1O[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513417334 921785973 /nfs/dbraw/zinc/78/59/73/921785973.db2.gz VEXRVXJDARTQTG-GOSISDBHSA-N 0 3 413.905 4.092 20 30 HIEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443409 916212499 /nfs/dbraw/zinc/21/24/99/916212499.db2.gz QXONWFPPIFRWCA-IIBYNOLFSA-N 0 3 424.932 4.022 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)ccc1OC ZINC000507998158 916839538 /nfs/dbraw/zinc/83/95/38/916839538.db2.gz KEEUKXICLJYERS-HXUWFJFHSA-N 0 3 409.530 4.204 20 30 HIEDHN COc1cc(C[NH2+]CCSCc2ccccc2C#N)cc(Br)c1[O-] ZINC000508338070 917142333 /nfs/dbraw/zinc/14/23/33/917142333.db2.gz FSYCUWIBNCKNHP-UHFFFAOYSA-N 0 3 407.333 4.058 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508587741 917360200 /nfs/dbraw/zinc/36/02/00/917360200.db2.gz LUFHFQKGEFPDKU-OAQYLSRUSA-N 0 3 417.431 4.350 20 30 HIEDHN CCOc1cc(CN(CC)[C@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000508601879 917371531 /nfs/dbraw/zinc/37/15/31/917371531.db2.gz BERUXQIUFRCKDA-MOPGFXCFSA-N 0 3 423.557 4.396 20 30 HIEDHN C=CCn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508951598 917708726 /nfs/dbraw/zinc/70/87/26/917708726.db2.gz NAZRWGIFTUHRRB-UHFFFAOYSA-N 0 3 410.525 4.002 20 30 HIEDHN CN(C)[C@H](CNC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 ZINC000510200391 918751063 /nfs/dbraw/zinc/75/10/63/918751063.db2.gz SDDKYFNSTJFWKM-JOCHJYFZSA-N 0 3 416.550 4.131 20 30 HIEDHN N#CC(CCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658312 920324088 /nfs/dbraw/zinc/32/40/88/920324088.db2.gz XGOSGHZXSTVFJS-GHTZIAJQSA-N 0 3 402.460 4.379 20 30 HIEDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820659 922814828 /nfs/dbraw/zinc/81/48/28/922814828.db2.gz VBYPGMVTDRFAOC-XXBNENTESA-N 0 3 403.526 4.006 20 30 HIEDHN N#CCCn1cc(CN(CCc2ccccc2)Cc2cccnc2)c(-c2ccncc2)n1 ZINC000516513962 923772625 /nfs/dbraw/zinc/77/26/25/923772625.db2.gz AIWJQWHQKDPBNL-UHFFFAOYSA-N 0 3 422.536 4.499 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000516713821 923858662 /nfs/dbraw/zinc/85/86/62/923858662.db2.gz KKHNAKYNZZEFEP-QGZVFWFLSA-N 0 3 406.463 4.470 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000517323915 924101842 /nfs/dbraw/zinc/10/18/42/924101842.db2.gz CBRKVHOAQCKCTO-UHFFFAOYSA-N 0 3 408.999 4.055 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000518003667 926945057 /nfs/dbraw/zinc/94/50/57/926945057.db2.gz OOPGYRMKAILLID-UHFFFAOYSA-N 0 3 405.542 4.128 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000518022676 926961834 /nfs/dbraw/zinc/96/18/34/926961834.db2.gz OQSUPCSYHWUXIW-QGZVFWFLSA-N 0 3 424.520 4.089 20 30 HIEDHN COC(=O)COc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000518175015 927065031 /nfs/dbraw/zinc/06/50/31/927065031.db2.gz RAGKZVWTFIMKIW-SFHVURJKSA-N 0 3 406.463 4.160 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000518531013 927331381 /nfs/dbraw/zinc/33/13/81/927331381.db2.gz BVVMPDDCBBNNHM-IBGZPJMESA-N 0 3 414.550 4.276 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC000519285681 927863861 /nfs/dbraw/zinc/86/38/61/927863861.db2.gz GHLWNLWQFZZTND-UHFFFAOYSA-N 0 3 421.567 4.132 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 ZINC000519342227 927889819 /nfs/dbraw/zinc/88/98/19/927889819.db2.gz WLKKQURYRRDLST-UHFFFAOYSA-N 0 3 404.514 4.218 20 30 HIEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000524498525 929646491 /nfs/dbraw/zinc/64/64/91/929646491.db2.gz TUCXLFRRQWGETH-UHFFFAOYSA-N 0 3 417.475 4.139 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000524877974 929869133 /nfs/dbraw/zinc/86/91/33/929869133.db2.gz RZFVMWKTNFIRCL-XMMPIXPASA-N 0 3 407.558 4.284 20 30 HIEDHN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000525248522 930105245 /nfs/dbraw/zinc/10/52/45/930105245.db2.gz MALZSXHAMMAPIW-HUUCEWRRSA-N 0 3 405.420 4.413 20 30 HIEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532970307 931720337 /nfs/dbraw/zinc/72/03/37/931720337.db2.gz GRIDPWUTTIWQDK-WOSNLTMFSA-N 0 3 415.603 4.402 20 30 HIEDHN C[C@H]1CN([C@@H](CNCc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989716 931729143 /nfs/dbraw/zinc/72/91/43/931729143.db2.gz UTLLMQBWYISJAQ-XOBRGWDASA-N 0 3 405.876 4.041 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@H]2c2ccccn2)c1C#N ZINC000533026585 931743396 /nfs/dbraw/zinc/74/33/96/931743396.db2.gz OIPSKGKOKOCIHU-QFIPXVFZSA-N 0 3 417.513 4.179 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000533054909 931755722 /nfs/dbraw/zinc/75/57/22/931755722.db2.gz CGTRNZXNNDWRLS-HSZRJFAPSA-N 0 3 408.546 4.083 20 30 HIEDHN C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000533936331 932110273 /nfs/dbraw/zinc/11/02/73/932110273.db2.gz AYQYYUQCMCTQNL-WMZHIEFXSA-N 0 3 405.542 4.151 20 30 HIEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000534537606 932551019 /nfs/dbraw/zinc/55/10/19/932551019.db2.gz KMCIHJMDIFEJSY-IBGZPJMESA-N 0 3 406.939 4.061 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC[C@H](Oc3cccc(Cl)c3)C2)sc2c1CCC2 ZINC000534689553 932660938 /nfs/dbraw/zinc/66/09/38/932660938.db2.gz AZUQYFOSPWMESB-INIZCTEOSA-N 0 3 415.946 4.244 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000537526135 938316240 /nfs/dbraw/zinc/31/62/40/938316240.db2.gz UFVHGTKYEOVBHD-JOCHJYFZSA-N 0 3 412.578 4.311 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2C2CCOCC2)c1C#N ZINC000537526136 938316258 /nfs/dbraw/zinc/31/62/58/938316258.db2.gz UFVHGTKYEOVBHD-QFIPXVFZSA-N 0 3 412.578 4.311 20 30 HIEDHN COc1ccc(NC(=O)C[C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000537986748 938449884 /nfs/dbraw/zinc/44/98/84/938449884.db2.gz LOACYCPCNWOQAC-OAHLLOKOSA-N 0 3 420.431 4.081 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000538198844 938550668 /nfs/dbraw/zinc/55/06/68/938550668.db2.gz SXEIHKQGWSEMGJ-WMZHIEFXSA-N 0 3 411.933 4.263 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4ccnc4)cc3)n2)cc1 ZINC000538365733 938604696 /nfs/dbraw/zinc/60/46/96/938604696.db2.gz ZZRKSVXBBAESNM-IBGZPJMESA-N 0 3 400.463 4.494 20 30 HIEDHN Cc1ccccc1[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000538390317 938609617 /nfs/dbraw/zinc/60/96/17/938609617.db2.gz ORIWHFAFNSVFIX-QFIPXVFZSA-N 0 3 400.444 4.222 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339272 938844678 /nfs/dbraw/zinc/84/46/78/938844678.db2.gz PNFSKRQAPATFIC-LEWJYISDSA-N 0 3 415.541 4.475 20 30 HIEDHN COc1ccc(S(=O)(=O)Nc2cccc(CN[C@@H](C)c3cccc(C#N)c3)c2)cc1 ZINC000539495181 938868567 /nfs/dbraw/zinc/86/85/67/938868567.db2.gz HBHRPQMGFCZWJL-KRWDZBQOSA-N 0 3 421.522 4.218 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000539609945 938887534 /nfs/dbraw/zinc/88/75/34/938887534.db2.gz SFXVKPSJXQMSRB-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540353726 939205100 /nfs/dbraw/zinc/20/51/00/939205100.db2.gz FEQGDUIIGHKHOU-NNZNXZITSA-N 0 3 410.562 4.005 20 30 HIEDHN C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000540608802 939318775 /nfs/dbraw/zinc/31/87/75/939318775.db2.gz URMVDCBSGMHHGE-OAHLLOKOSA-N 0 3 400.320 4.008 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(Cc4nnc5ccccn54)cc3)CC2)cc1 ZINC000540973247 939422393 /nfs/dbraw/zinc/42/23/93/939422393.db2.gz LPCXPZYSHFWLIP-UHFFFAOYSA-N 0 3 422.536 4.268 20 30 HIEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541598675 939563530 /nfs/dbraw/zinc/56/35/30/939563530.db2.gz AERSFVGYJRPMHE-HXUWFJFHSA-N 0 3 419.916 4.416 20 30 HIEDHN N#Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000541600910 939565312 /nfs/dbraw/zinc/56/53/12/939565312.db2.gz CSIGQIHBLJTNLT-LJQANCHMSA-N 0 3 405.889 4.107 20 30 HIEDHN C[C@H]1CN(Cc2ccccc2NC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759035 940176940 /nfs/dbraw/zinc/17/69/40/940176940.db2.gz WMDINOCLTZAFON-SFTDATJTSA-N 0 3 418.585 4.244 20 30 HIEDHN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869894 940217501 /nfs/dbraw/zinc/21/75/01/940217501.db2.gz HLBCVPITINEMJB-NWVWQQAFSA-N 0 3 403.526 4.046 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC(OC[C@@H]4CCOC4)CC3)c2)c1 ZINC000544370909 940404404 /nfs/dbraw/zinc/40/44/04/940404404.db2.gz OQONEHGVQUMQMJ-HSZRJFAPSA-N 0 3 406.526 4.155 20 30 HIEDHN CCN(C[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)C1)CC(F)(F)F ZINC000544608617 940489586 /nfs/dbraw/zinc/48/95/86/940489586.db2.gz YXPJWMJDKMXIBH-AWEZNQCLSA-N 0 3 416.381 4.473 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000546917707 940912361 /nfs/dbraw/zinc/91/23/61/940912361.db2.gz BLHYEDUJUJMYLX-GOSISDBHSA-N 0 3 422.573 4.181 20 30 HIEDHN N#CCCn1cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccncc2)n1 ZINC000549825449 941208724 /nfs/dbraw/zinc/20/87/24/941208724.db2.gz QYXUADUJSDBZTF-SFHVURJKSA-N 0 3 403.452 4.413 20 30 HIEDHN C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000551813464 941550897 /nfs/dbraw/zinc/55/08/97/941550897.db2.gz UGQCRMFWCIYWAE-CQSZACIVSA-N 0 3 403.404 4.453 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000554177691 942058743 /nfs/dbraw/zinc/05/87/43/942058743.db2.gz VXQBJPNERXPHFN-WMZHIEFXSA-N 0 3 420.557 4.314 20 30 HIEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461270 942562223 /nfs/dbraw/zinc/56/22/23/942562223.db2.gz YGFVKRWPQOGEBK-DZGCQCFKSA-N 0 3 401.308 4.371 20 30 HIEDHN N#Cc1ccc2ncc(CN[C@@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)n2c1 ZINC000556607754 942912981 /nfs/dbraw/zinc/91/29/81/942912981.db2.gz AXICRJAGFYUCEH-OAQYLSRUSA-N 0 3 414.431 4.482 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000557453097 943136855 /nfs/dbraw/zinc/13/68/55/943136855.db2.gz ZNBFWLHOOPFREW-HXUWFJFHSA-N 0 3 415.607 4.450 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910238 943326965 /nfs/dbraw/zinc/32/69/65/943326965.db2.gz QVBIKOAQLRGLQW-QFBILLFUSA-N 0 3 407.470 4.182 20 30 HIEDHN COC[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1F ZINC000558257461 943463129 /nfs/dbraw/zinc/46/31/29/943463129.db2.gz MZHWWYGVQMYTRW-LADRWXRNSA-N 0 3 403.885 4.413 20 30 HIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000560175035 944186504 /nfs/dbraw/zinc/18/65/04/944186504.db2.gz ZSLDZPZRHWVUFV-UHFFFAOYSA-N 0 3 422.863 4.409 20 30 HIEDHN C=CCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000562027312 944901639 /nfs/dbraw/zinc/90/16/39/944901639.db2.gz HDLFNJHKEATQPK-UHFFFAOYSA-N 0 3 419.495 4.148 20 30 HIEDHN CN1C(=O)C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000562200107 945016854 /nfs/dbraw/zinc/01/68/54/945016854.db2.gz COZPTXPNAXJOFK-HKUYNNGSSA-N 0 3 407.823 4.292 20 30 HIEDHN Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000564805974 945761391 /nfs/dbraw/zinc/76/13/91/945761391.db2.gz ZUNHRAVUMBUZPP-UHFFFAOYSA-N 0 3 420.532 4.207 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)CC1 ZINC000569292368 946852485 /nfs/dbraw/zinc/85/24/85/946852485.db2.gz LNXPTNPFLIFZPY-UHFFFAOYSA-N 0 3 403.577 4.089 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000574006530 948348399 /nfs/dbraw/zinc/34/83/99/948348399.db2.gz SUUNPIRDSQUYRP-PKTZIBPZSA-N 0 3 413.481 4.312 20 30 HIEDHN CC(C)c1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000575950626 948796302 /nfs/dbraw/zinc/79/63/02/948796302.db2.gz FAVNNZZVADXNFP-UHFFFAOYSA-N 0 3 400.526 4.434 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc(Cl)n1 ZINC001164629777 719076113 /nfs/dbraw/zinc/07/61/13/719076113.db2.gz YZQKCHIDSALNDA-APWZRJJASA-N 0 3 402.876 4.252 20 30 HIEDHN N#CCCCn1cc(C(=O)NCC2(N3CCSCC3)CCCC2)c2ccccc21 ZINC000436083546 861362159 /nfs/dbraw/zinc/36/21/59/861362159.db2.gz OFHQCFFDVNRBTF-UHFFFAOYSA-N 0 3 410.587 4.036 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309480 861614399 /nfs/dbraw/zinc/61/43/99/861614399.db2.gz SIEILYDSGKORBB-COPCDDAFSA-N 0 3 419.974 4.404 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1cccc(OC)c1 ZINC000025860906 847047487 /nfs/dbraw/zinc/04/74/87/847047487.db2.gz DUYVPEMAYHNTOC-NRFANRHFSA-N 0 3 420.513 4.072 20 30 HIEDHN C=CCOc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000026311724 847122697 /nfs/dbraw/zinc/12/26/97/847122697.db2.gz YBCPAJCTVPHYHJ-GOSISDBHSA-N 0 3 402.560 4.133 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000032483476 848037752 /nfs/dbraw/zinc/03/77/52/848037752.db2.gz LSTKOPYGQBUELX-XMMPIXPASA-N 0 3 413.521 4.040 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1C#N ZINC000032761054 848072368 /nfs/dbraw/zinc/07/23/68/848072368.db2.gz YQENXWDTAMLWJZ-NRFANRHFSA-N 0 3 406.555 4.119 20 30 HIEDHN CC(C)Oc1cccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000046654091 848900331 /nfs/dbraw/zinc/90/03/31/848900331.db2.gz ATCXYQMWRJSSJJ-IBGZPJMESA-N 0 3 408.546 4.180 20 30 HIEDHN N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000046744109 848924482 /nfs/dbraw/zinc/92/44/82/848924482.db2.gz MEAJGKZQZKSVCD-XMMPIXPASA-N 0 3 411.505 4.142 20 30 HIEDHN Cc1nc(-c2cccs2)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047011082 848972660 /nfs/dbraw/zinc/97/26/60/848972660.db2.gz UFKFUCJGVXYXAJ-UHFFFAOYSA-N 0 3 410.568 4.256 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496571 849589439 /nfs/dbraw/zinc/58/94/39/849589439.db2.gz AOLHHONZPOKJMG-UHFFFAOYSA-N 0 3 405.524 4.015 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)N(C)C)cc1 ZINC000060155590 851045485 /nfs/dbraw/zinc/04/54/85/851045485.db2.gz FVCKGNMAYHTPJD-RUZDIDTESA-N 0 3 413.521 4.478 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000060574943 851152401 /nfs/dbraw/zinc/15/24/01/851152401.db2.gz HDCWYOQYAZVUIT-HSZRJFAPSA-N 0 3 404.558 4.444 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000063400453 851678086 /nfs/dbraw/zinc/67/80/86/851678086.db2.gz NSASYOLBVCJVQJ-LJQANCHMSA-N 0 3 414.531 4.191 20 30 HIEDHN N#Cc1ccc(Oc2cccc(C(=O)NCC3(N4CCSCC4)CCCC3)c2)cc1 ZINC000097547158 852626301 /nfs/dbraw/zinc/62/63/01/852626301.db2.gz FXMAWHICRDDYAU-UHFFFAOYSA-N 0 3 421.566 4.442 20 30 HIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000105261526 852694788 /nfs/dbraw/zinc/69/47/88/852694788.db2.gz QLWAUNHIYRFLJH-KRWDZBQOSA-N 0 3 423.856 4.284 20 30 HIEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)CC1 ZINC000110232206 853077191 /nfs/dbraw/zinc/07/71/91/853077191.db2.gz DDALWVWYFRCFNN-UHFFFAOYSA-N 0 3 412.537 4.191 20 30 HIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1ccccc1Cl ZINC000140343212 853441802 /nfs/dbraw/zinc/44/18/02/853441802.db2.gz KMEYZLMMWBPKCM-HNNXBMFYSA-N 0 3 400.862 4.245 20 30 HIEDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000195662449 853744528 /nfs/dbraw/zinc/74/45/28/853744528.db2.gz WRPJBAJLGHABRW-WBMJQRKESA-N 0 3 410.480 4.470 20 30 HIEDHN C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1OC ZINC000215608316 853833608 /nfs/dbraw/zinc/83/36/08/853833608.db2.gz OWDAOPQOZUYOKH-QPEQYQDCSA-N 0 3 421.541 4.054 20 30 HIEDHN CC1CCN(c2ccc(CNCc3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 ZINC000236735657 853917223 /nfs/dbraw/zinc/91/72/23/853917223.db2.gz LWOLHKZMKBZESX-UHFFFAOYSA-N 0 3 414.557 4.385 20 30 HIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(Oc3cnccn3)cc2)ccc1OC ZINC000237021007 853952342 /nfs/dbraw/zinc/95/23/42/853952342.db2.gz AFSJWMSUBYKXHS-IBGZPJMESA-N 0 3 404.470 4.248 20 30 HIEDHN CN(C)c1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)c2ccccc2n1 ZINC000237172114 853975552 /nfs/dbraw/zinc/97/55/52/853975552.db2.gz QISNYNXQRHDTID-UHFFFAOYSA-N 0 3 410.525 4.368 20 30 HIEDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(Cl)c1OC ZINC000237324010 854006901 /nfs/dbraw/zinc/00/69/01/854006901.db2.gz CNLBRRJTAKXQMH-MRXNPFEDSA-N 0 3 403.885 4.127 20 30 HIEDHN COc1ccc([C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)N(C)C)cc1OC ZINC000302587617 854588210 /nfs/dbraw/zinc/58/82/10/854588210.db2.gz VRMAINHVFATBPH-IBGZPJMESA-N 0 3 410.905 4.492 20 30 HIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302678580 854602915 /nfs/dbraw/zinc/60/29/15/854602915.db2.gz RACIEXCMHKTXKV-HNNXBMFYSA-N 0 3 402.458 4.047 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000303036974 854733319 /nfs/dbraw/zinc/73/33/19/854733319.db2.gz REZBIRUJHAYLST-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303435155 854935387 /nfs/dbraw/zinc/93/53/87/854935387.db2.gz GSVMYPJNBGEPJG-RTWAWAEBSA-N 0 3 415.459 4.271 20 30 HIEDHN COC(=O)COc1c(C)cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1C ZINC000437383972 862698005 /nfs/dbraw/zinc/69/80/05/862698005.db2.gz IQFZSTZSOILJRV-GOSISDBHSA-N 0 3 420.490 4.469 20 30 HIEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 ZINC000429255106 857576784 /nfs/dbraw/zinc/57/67/84/857576784.db2.gz OYERJXGLSCWPCK-RTBURBONSA-N 0 3 412.578 4.231 20 30 HIEDHN CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429494228 857695953 /nfs/dbraw/zinc/69/59/53/857695953.db2.gz REOPDIKCFNGZNB-QHCPKHFHSA-N 0 3 404.558 4.173 20 30 HIEDHN CC(C)N1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429775873 857880280 /nfs/dbraw/zinc/88/02/80/857880280.db2.gz QVFLYZSFGXISEZ-IEBWSBKVSA-N 0 3 420.941 4.164 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000431060431 858427044 /nfs/dbraw/zinc/42/70/44/858427044.db2.gz YMEWLYDJUVNILY-SFTDATJTSA-N 0 3 408.521 4.107 20 30 HIEDHN N#CC(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000431143728 858468762 /nfs/dbraw/zinc/46/87/62/858468762.db2.gz MZAOGGKAJLXBHH-LBPRGKRZSA-N 0 3 414.137 4.261 20 30 HIEDHN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1Cl ZINC000437732540 863061814 /nfs/dbraw/zinc/06/18/14/863061814.db2.gz MSGHVMXBWCAAQM-CTNGQTDRSA-N 0 3 406.917 4.473 20 30 HIEDHN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010764 859476242 /nfs/dbraw/zinc/47/62/42/859476242.db2.gz LRPBXXMFWYHCMY-GOTSBHOMSA-N 0 3 421.541 4.392 20 30 HIEDHN N#CCCC[C@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000433011899 859477319 /nfs/dbraw/zinc/47/73/19/859477319.db2.gz HKIXGQLAHCSRRL-FQEVSTJZSA-N 0 3 405.523 4.373 20 30 HIEDHN N#CCCC[C@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000433013407 859478406 /nfs/dbraw/zinc/47/84/06/859478406.db2.gz NVOWIWHLPSIFES-IBGZPJMESA-N 0 3 407.411 4.485 20 30 HIEDHN CN(Cc1cc(Br)cs1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433036169 859493314 /nfs/dbraw/zinc/49/33/14/859493314.db2.gz RVXATRORIGMYDE-SFHVURJKSA-N 0 3 420.376 4.494 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000434312763 860273197 /nfs/dbraw/zinc/27/31/97/860273197.db2.gz POXFITFQRJCCIT-JOCHJYFZSA-N 0 3 416.525 4.456 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434678759 860456309 /nfs/dbraw/zinc/45/63/09/860456309.db2.gz KJPNKISEFDNTQO-GOSISDBHSA-N 0 3 412.603 4.064 20 30 HIEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434882184 860532568 /nfs/dbraw/zinc/53/25/68/860532568.db2.gz APVKFVJIQBJWQD-GFCCVEGCSA-N 0 3 414.478 4.303 20 30 HIEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000434886870 860536649 /nfs/dbraw/zinc/53/66/49/860536649.db2.gz NIWGTTZXNMFFRD-CQSZACIVSA-N 0 3 408.449 4.242 20 30 HIEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000438470437 863889688 /nfs/dbraw/zinc/88/96/88/863889688.db2.gz PFWKKACORBACTH-UHFFFAOYSA-N 0 3 419.550 4.403 20 30 HIEDHN CN1CCC(N(Cc2ccccc2)C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000438548512 863978173 /nfs/dbraw/zinc/97/81/73/863978173.db2.gz AZYNLMBMKMFRKF-UHFFFAOYSA-N 0 3 405.542 4.230 20 30 HIEDHN N#Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1C(F)(F)F ZINC000438646348 864084409 /nfs/dbraw/zinc/08/44/09/864084409.db2.gz ZWZLACUGYKRBIS-UHFFFAOYSA-N 0 3 402.420 4.147 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000439003921 864457374 /nfs/dbraw/zinc/45/73/74/864457374.db2.gz ONSKBDHFMYHNDN-ABQRKTDGSA-N 0 3 411.590 4.202 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1 ZINC000439003923 864458810 /nfs/dbraw/zinc/45/88/10/864458810.db2.gz ONSKBDHFMYHNDN-LDLZHSJESA-N 0 3 411.590 4.202 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000439612745 864934468 /nfs/dbraw/zinc/93/44/68/864934468.db2.gz JYOIJQOKRVZTHU-RTBURBONSA-N 0 3 410.484 4.000 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)CC(C)C ZINC000443906518 868442233 /nfs/dbraw/zinc/44/22/33/868442233.db2.gz JALVYTNZMCGXBN-UHFFFAOYSA-N 0 3 408.546 4.497 20 30 HIEDHN Cc1cc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000443999205 868519568 /nfs/dbraw/zinc/51/95/68/868519568.db2.gz BVQZARGQMKUFBX-FQEVSTJZSA-N 0 3 401.432 4.166 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000446066312 870026120 /nfs/dbraw/zinc/02/61/20/870026120.db2.gz AJAQEBSDCGLLPA-KRWDZBQOSA-N 0 3 424.574 4.396 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000446634293 870540871 /nfs/dbraw/zinc/54/08/71/870540871.db2.gz CRVMQEHLRJVSKU-BJKOFHAPSA-N 0 3 404.558 4.043 20 30 HIEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460769263 873615152 /nfs/dbraw/zinc/61/51/52/873615152.db2.gz HNZNZPUHSARGNT-WKDRNLAYSA-N 0 3 409.578 4.018 20 30 HIEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000460946881 873845605 /nfs/dbraw/zinc/84/56/05/873845605.db2.gz PHUBYTWGDPUPRF-UHFFFAOYSA-N 0 3 419.495 4.463 20 30 HIEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460955210 873852898 /nfs/dbraw/zinc/85/28/98/873852898.db2.gz DKNXNKUTQVPVGG-MSOLQXFVSA-N 0 3 415.607 4.074 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000466444563 880220725 /nfs/dbraw/zinc/22/07/25/880220725.db2.gz APLJRZDUMKCFLZ-UHFFFAOYSA-N 0 3 418.928 4.478 20 30 HIEDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000469127704 883222962 /nfs/dbraw/zinc/22/29/62/883222962.db2.gz ZJIPFWBZSOFGKC-NRFANRHFSA-N 0 3 401.514 4.026 20 30 HIEDHN COc1cc(Br)ccc1[C@H](C)NCCC(=O)Nc1sccc1C#N ZINC000469739708 883896053 /nfs/dbraw/zinc/89/60/53/883896053.db2.gz OGJIIDIPBZLOGO-NSHDSACASA-N 0 3 408.321 4.070 20 30 HIEDHN C=CCN1CCC(NC(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)CC1 ZINC000469751946 883913773 /nfs/dbraw/zinc/91/37/73/883913773.db2.gz KIFPNHJNBUYJOL-DEOSSOPVSA-N 0 3 405.542 4.155 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CC1 ZINC000471366990 886003341 /nfs/dbraw/zinc/00/33/41/886003341.db2.gz RDNMOZXUJTZMCK-UHFFFAOYSA-N 0 3 401.551 4.123 20 30 HIEDHN N#CCC[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000472049190 886862996 /nfs/dbraw/zinc/86/29/96/886862996.db2.gz PUTUEJPQHMCNOM-CTWPCTMYSA-N 0 3 408.468 4.136 20 30 HIEDHN CCN1CCN(c2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)CC1 ZINC000473837735 888676109 /nfs/dbraw/zinc/67/61/09/888676109.db2.gz UGTYOMBCMKUMQV-UHFFFAOYSA-N 0 3 414.557 4.218 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000475662930 890609559 /nfs/dbraw/zinc/60/95/59/890609559.db2.gz RYEJREIENIXMFB-UHFFFAOYSA-N 0 3 422.529 4.361 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841485 892899805 /nfs/dbraw/zinc/89/98/05/892899805.db2.gz AOUIAUJMFLGVAR-CRAIPNDOSA-N 0 3 407.436 4.079 20 30 HIEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000477848111 892907216 /nfs/dbraw/zinc/90/72/16/892907216.db2.gz RKEOMSSZRLOLBI-IBGZPJMESA-N 0 3 403.463 4.197 20 30 HIEDHN N#Cc1cnc2ccc(Cl)cc2c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000480559138 895920415 /nfs/dbraw/zinc/92/04/15/895920415.db2.gz SYEPHSHAORWDJC-UHFFFAOYSA-N 0 3 408.855 4.399 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000481286367 896631919 /nfs/dbraw/zinc/63/19/19/896631919.db2.gz PENRGZGGFSGGGC-UHFFFAOYSA-N 0 3 424.593 4.216 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000481925761 897309646 /nfs/dbraw/zinc/30/96/46/897309646.db2.gz WFTWMNDAEBDPEM-UHFFFAOYSA-N 0 3 409.918 4.160 20 30 HIEDHN Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000482015697 897416179 /nfs/dbraw/zinc/41/61/79/897416179.db2.gz JTGIYWRWAOGWRK-UHFFFAOYSA-N 0 3 402.542 4.067 20 30 HIEDHN N#CC(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cnc2ccccc2n1 ZINC000483197628 898853318 /nfs/dbraw/zinc/85/33/18/898853318.db2.gz LFTGIFVBSGHMFX-KRWDZBQOSA-N 0 3 412.474 4.111 20 30 HIEDHN N#CC(C(=O)c1csc(I)c1)c1nccc2ccccc21 ZINC000483204773 898857672 /nfs/dbraw/zinc/85/76/72/898857672.db2.gz SRYJLCVXGNVFBM-CYBMUJFWSA-N 0 3 404.232 4.391 20 30 HIEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000483787897 899456624 /nfs/dbraw/zinc/45/66/24/899456624.db2.gz HGPLTOPKYBHVFW-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3ccc(Cl)c(F)c3)CC2)c1 ZINC000484099147 899726028 /nfs/dbraw/zinc/72/60/28/899726028.db2.gz PBNCCXNQPSFIQF-UHFFFAOYSA-N 0 3 401.869 4.080 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cc(OC)cc(OC)c3)n2)cc1 ZINC000505773237 914442030 /nfs/dbraw/zinc/44/20/30/914442030.db2.gz XRKWICRXKUPFFL-SFHVURJKSA-N 0 3 409.467 4.082 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000485295539 900573178 /nfs/dbraw/zinc/57/31/78/900573178.db2.gz CMKMFLACLNWEBE-UHFFFAOYSA-N 0 3 410.493 4.082 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 ZINC000505859754 914506116 /nfs/dbraw/zinc/50/61/16/914506116.db2.gz BCSIWTVMMBDDLL-UHFFFAOYSA-N 0 3 403.420 4.319 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)Cc3ccc(F)c(F)c3)sc2C1 ZINC000488497992 902855837 /nfs/dbraw/zinc/85/58/37/902855837.db2.gz VFOMCHLOSBEKQW-CYBMUJFWSA-N 0 3 403.498 4.483 20 30 HIEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505392 902861158 /nfs/dbraw/zinc/86/11/58/902861158.db2.gz YRQFQOUGPKGKBT-PMACEKPBSA-N 0 3 412.331 4.163 20 30 HIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000489835744 903620320 /nfs/dbraw/zinc/62/03/20/903620320.db2.gz CBPKAKHPFQJNKZ-AWEZNQCLSA-N 0 3 413.319 4.127 20 30 HIEDHN Cc1ccc2[nH]c([C@@H]3CCCN([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812743 904911237 /nfs/dbraw/zinc/91/12/37/904911237.db2.gz ZVWKYVNGRBWIFT-AUSIDOKSSA-N 0 3 413.525 4.118 20 30 HIEDHN Cc1ccc2nc([C@@H]3CCCN([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812743 904911241 /nfs/dbraw/zinc/91/12/41/904911241.db2.gz ZVWKYVNGRBWIFT-AUSIDOKSSA-N 0 3 413.525 4.118 20 30 HIEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000496291900 906651033 /nfs/dbraw/zinc/65/10/33/906651033.db2.gz PSEBOMZZOYQCKI-UHFFFAOYSA-N 0 3 421.472 4.073 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000499048987 908421452 /nfs/dbraw/zinc/42/14/52/908421452.db2.gz VQAJKCOFPCPFRZ-UHFFFAOYSA-N 0 3 404.341 4.388 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000499724558 908891071 /nfs/dbraw/zinc/89/10/71/908891071.db2.gz JPASSVFPPVCYCJ-INIZCTEOSA-N 0 3 414.347 4.015 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000501332527 910472647 /nfs/dbraw/zinc/47/26/47/910472647.db2.gz YCNBQXIKSMIHNP-UHFFFAOYSA-N 0 3 417.431 4.307 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000502708892 911741912 /nfs/dbraw/zinc/74/19/12/911741912.db2.gz ZMCHQMMTEMBPST-RXVVDRJESA-N 0 3 404.539 4.241 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(-c4ccncc4)cc3F)CC2)cc1 ZINC000506295492 914891007 /nfs/dbraw/zinc/89/10/07/914891007.db2.gz RCLYDEFQAJPNRC-UHFFFAOYSA-N 0 3 400.501 4.467 20 30 HIEDHN CC1CCN([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2ccccc2)CC1 ZINC000507503845 916269983 /nfs/dbraw/zinc/26/99/83/916269983.db2.gz HZXALVVASAVCQY-HSZRJFAPSA-N 0 3 405.517 4.318 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508563400 917337998 /nfs/dbraw/zinc/33/79/98/917337998.db2.gz KHLYARUEQPLEOZ-JOCHJYFZSA-N 0 3 409.480 4.230 20 30 HIEDHN C=CCn1c(-c2ccccc2C)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508906719 917662244 /nfs/dbraw/zinc/66/22/44/917662244.db2.gz IEFGACMPZZBAFE-NHCUHLMSSA-N 0 3 423.605 4.155 20 30 HIEDHN C[C@@H](OC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062489 917809897 /nfs/dbraw/zinc/80/98/97/917809897.db2.gz GXCWHTLFWAQJRY-UTKZUKDTSA-N 0 3 414.933 4.194 20 30 HIEDHN C=CCc1cc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(OC)c1O ZINC000509372948 918037374 /nfs/dbraw/zinc/03/73/74/918037374.db2.gz PCCOTIYAQNKRPN-KRWDZBQOSA-N 0 3 415.921 4.028 20 30 HIEDHN CCOc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000510413301 918883019 /nfs/dbraw/zinc/88/30/19/918883019.db2.gz OPBPMWQIFFNQJA-UHFFFAOYSA-N 0 3 400.910 4.206 20 30 HIEDHN CCc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)N(C)C)cc1 ZINC000511816809 920513964 /nfs/dbraw/zinc/51/39/64/920513964.db2.gz HAOMSJYBBWCKPP-JOCHJYFZSA-N 0 3 417.509 4.325 20 30 HIEDHN CCN(CC)C(=O)C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000512214704 920962343 /nfs/dbraw/zinc/96/23/43/920962343.db2.gz SRNVIKDGMOUYSW-UHFFFAOYSA-N 0 3 405.542 4.218 20 30 HIEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Br)cc1 ZINC000513681491 922001602 /nfs/dbraw/zinc/00/16/02/922001602.db2.gz DDKDZJZXOIKPPJ-OAHLLOKOSA-N 0 3 420.270 4.310 20 30 HIEDHN N#CCCn1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000513716776 922036610 /nfs/dbraw/zinc/03/66/10/922036610.db2.gz IQLNISRURKAYNZ-UHFFFAOYSA-N 0 3 411.509 4.379 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000513728782 922050182 /nfs/dbraw/zinc/05/01/82/922050182.db2.gz KGBRTGCBUYCQDA-MRXNPFEDSA-N 0 3 409.371 4.268 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C ZINC000516713681 923858826 /nfs/dbraw/zinc/85/88/26/923858826.db2.gz GYNLVDIHJWNHBJ-QGZVFWFLSA-N 0 3 403.463 4.497 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000517714460 926810205 /nfs/dbraw/zinc/81/02/05/926810205.db2.gz NLFMWUUEJIPZSO-WIYYLYMNSA-N 0 3 422.573 4.090 20 30 HIEDHN C=CCOc1ccc(CN[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1Cl ZINC000518271556 927130884 /nfs/dbraw/zinc/13/08/84/927130884.db2.gz ZMEOSTZVFBIPRF-JOCHJYFZSA-N 0 3 400.950 4.376 20 30 HIEDHN CCOc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000518302743 927163109 /nfs/dbraw/zinc/16/31/09/927163109.db2.gz WOAGJAMKIYZNLB-KRWDZBQOSA-N 0 3 419.447 4.456 20 30 HIEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000518863322 927570722 /nfs/dbraw/zinc/57/07/22/927570722.db2.gz CWRAEPIKLLGZGB-HXUWFJFHSA-N 0 3 421.589 4.452 20 30 HIEDHN C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N(C)Cc1ccccc1 ZINC000519570018 928019770 /nfs/dbraw/zinc/01/97/70/928019770.db2.gz DMNGAMRWYQJLKT-GOSISDBHSA-N 0 3 415.497 4.388 20 30 HIEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000520427563 928558916 /nfs/dbraw/zinc/55/89/16/928558916.db2.gz OOLWOFTZLRYFFB-AWEZNQCLSA-N 0 3 407.405 4.159 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000524802523 929835805 /nfs/dbraw/zinc/83/58/05/929835805.db2.gz ADGDFKHCJKNSPB-GOSISDBHSA-N 0 3 417.513 4.048 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000525413438 930226197 /nfs/dbraw/zinc/22/61/97/930226197.db2.gz JWCQYLZZHWRYTR-IBGZPJMESA-N 0 3 406.530 4.474 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2nnn(-c3ccc(C(C)(C)C)cc3)c2CCC)CC1 ZINC000525569190 930335658 /nfs/dbraw/zinc/33/56/58/930335658.db2.gz LPUIZZJDBWHISO-UHFFFAOYSA-N 0 3 423.605 4.288 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000530356729 930691735 /nfs/dbraw/zinc/69/17/35/930691735.db2.gz CAMPXHGENVMPCG-DHIUTWEWSA-N 0 3 418.541 4.068 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000530515691 930734868 /nfs/dbraw/zinc/73/48/68/930734868.db2.gz KFBHIPIITCUYOM-MJGOQNOKSA-N 0 3 418.419 4.066 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc(Br)cs1 ZINC000532476987 931453468 /nfs/dbraw/zinc/45/34/68/931453468.db2.gz YIUIDCDQKNVGHB-UHFFFAOYSA-N 0 3 424.389 4.393 20 30 HIEDHN C=CCC[C@@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000533528503 931894789 /nfs/dbraw/zinc/89/47/89/931894789.db2.gz QYRLODKGADWIBV-HXUWFJFHSA-N 0 3 419.495 4.044 20 30 HIEDHN C=CCC[C@H](NCc1cnc(N2CCN(C)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000533528502 931894988 /nfs/dbraw/zinc/89/49/88/931894988.db2.gz QYRLODKGADWIBV-FQEVSTJZSA-N 0 3 419.495 4.044 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Nc3ccccn3)CC1)CCCCC2 ZINC000534127485 932292146 /nfs/dbraw/zinc/29/21/46/932292146.db2.gz CQCIAKSRWWTPHX-UHFFFAOYSA-N 0 3 423.586 4.189 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC[C@@H](Oc3cccc(Cl)c3)C2)sc2c1CCC2 ZINC000534689574 932660419 /nfs/dbraw/zinc/66/04/19/932660419.db2.gz AZUQYFOSPWMESB-MRXNPFEDSA-N 0 3 415.946 4.244 20 30 HIEDHN COc1ccc(C[C@@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629390 933274323 /nfs/dbraw/zinc/27/43/23/933274323.db2.gz ZOTDJCDQDSZXAB-MOPGFXCFSA-N 0 3 411.521 4.280 20 30 HIEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1nc(-c3ccc(Cl)cc3)cs1)c2=O ZINC000538046126 938480507 /nfs/dbraw/zinc/48/05/07/938480507.db2.gz WLMYZYXMZIWFCX-OAHLLOKOSA-N 0 3 420.881 4.270 20 30 HIEDHN N#Cc1c(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)sc2c1CCCCC2 ZINC000538186582 938542582 /nfs/dbraw/zinc/54/25/82/938542582.db2.gz SXONFWQLDLZETJ-VGSWGCGISA-N 0 3 409.555 4.195 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1C#N ZINC000538186800 938542807 /nfs/dbraw/zinc/54/28/07/938542807.db2.gz BSCIRCCZYLLSKQ-RDPSFJRHSA-N 0 3 420.557 4.398 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000538198846 938551158 /nfs/dbraw/zinc/55/11/58/938551158.db2.gz SXEIHKQGWSEMGJ-XXBNENTESA-N 0 3 411.933 4.263 20 30 HIEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000538259611 938577140 /nfs/dbraw/zinc/57/71/40/938577140.db2.gz JHJQGCKETNXHCT-HSZRJFAPSA-N 0 3 405.542 4.161 20 30 HIEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538277949 938582049 /nfs/dbraw/zinc/58/20/49/938582049.db2.gz WBTSQWMFHSMZAN-RBUKOAKNSA-N 0 3 408.521 4.412 20 30 HIEDHN C[C@@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(C#N)c(F)c1 ZINC000538508883 938638387 /nfs/dbraw/zinc/63/83/87/938638387.db2.gz JXCROQIQZCTMKH-LLVKDONJSA-N 0 3 400.255 4.096 20 30 HIEDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000539268211 938830470 /nfs/dbraw/zinc/83/04/70/938830470.db2.gz OHMSQPNNUYDRIY-CYBMUJFWSA-N 0 3 401.507 4.326 20 30 HIEDHN C=CCC[C@H](NCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)c1ccccc1 ZINC000539361352 938848371 /nfs/dbraw/zinc/84/83/71/938848371.db2.gz SDGFSIICHZOICM-DEOSSOPVSA-N 0 3 419.569 4.013 20 30 HIEDHN C=CCN(Cc1c[nH]nc1-c1c(F)cccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832772 938951688 /nfs/dbraw/zinc/95/16/88/938951688.db2.gz ZBGKZDMISUGZFS-OAHLLOKOSA-N 0 3 421.455 4.080 20 30 HIEDHN C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000540389533 939226903 /nfs/dbraw/zinc/22/69/03/939226903.db2.gz NDXQYPWAXZPNSK-QGZVFWFLSA-N 0 3 407.905 4.123 20 30 HIEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522212 939286633 /nfs/dbraw/zinc/28/66/33/939286633.db2.gz QIDIKNFHQGTSAN-XIKOKIGWSA-N 0 3 401.860 4.408 20 30 HIEDHN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778776 939368954 /nfs/dbraw/zinc/36/89/54/939368954.db2.gz HUORLAWUQKJBPG-FOIQADDNSA-N 0 3 401.432 4.419 20 30 HIEDHN COC(=O)[C@H](C)Oc1ccc(CNCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000540809628 939379754 /nfs/dbraw/zinc/37/97/54/939379754.db2.gz RAJMIDAKZJPNMQ-SFHVURJKSA-N 0 3 400.478 4.455 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)N(C)C)cc1 ZINC000541100571 939460253 /nfs/dbraw/zinc/46/02/53/939460253.db2.gz FZWVIVFLAOSAKF-FQEVSTJZSA-N 0 3 422.920 4.130 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(OC)c1 ZINC000541452159 939520348 /nfs/dbraw/zinc/52/03/48/939520348.db2.gz ZGXHCRKQBUVFTP-XMMPIXPASA-N 0 3 420.557 4.324 20 30 HIEDHN COCC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000541649321 939586528 /nfs/dbraw/zinc/58/65/28/939586528.db2.gz QROAELVNEQWOGA-QGZVFWFLSA-N 0 3 401.532 4.096 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000542553881 939842699 /nfs/dbraw/zinc/84/26/99/939842699.db2.gz PFFLVOPTHFBBBH-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@H]2C ZINC000542880765 939864884 /nfs/dbraw/zinc/86/48/84/939864884.db2.gz HBPIYJUXZPKZTE-CABCVRRESA-N 0 3 409.555 4.453 20 30 HIEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000544125633 940332520 /nfs/dbraw/zinc/33/25/20/940332520.db2.gz NIVLEVWTTRNYFU-HFRGRHLUSA-N 0 3 405.542 4.234 20 30 HIEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1Cl ZINC000548305014 941094959 /nfs/dbraw/zinc/09/49/59/941094959.db2.gz TUWMWMRBBCBMFX-UHFFFAOYSA-N 0 3 418.324 4.138 20 30 HIEDHN N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000552114581 941587998 /nfs/dbraw/zinc/58/79/98/941587998.db2.gz QTQDLEPDSZYFSF-GOSISDBHSA-N 0 3 405.889 4.107 20 30 HIEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276724 941621115 /nfs/dbraw/zinc/62/11/15/941621115.db2.gz HWJMLUOMLGLCFV-UXHICEINSA-N 0 3 417.431 4.299 20 30 HIEDHN Cc1ccc(CN2CCSCC2)cc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000552290068 941623432 /nfs/dbraw/zinc/62/34/32/941623432.db2.gz WXSQJTHMVOBVSQ-UHFFFAOYSA-N 0 3 406.599 4.496 20 30 HIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(N2CCCC2)c1 ZINC000553409209 941880517 /nfs/dbraw/zinc/88/05/17/941880517.db2.gz OUNHCTLEDKAZTG-CVEARBPZSA-N 0 3 408.571 4.386 20 30 HIEDHN CCN(Cc1ccc(Br)cc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000553883350 941989860 /nfs/dbraw/zinc/98/98/60/941989860.db2.gz CFLMSQDLCNCMHW-UHFFFAOYSA-N 0 3 413.363 4.454 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000554177692 942058879 /nfs/dbraw/zinc/05/88/79/942058879.db2.gz VXQBJPNERXPHFN-XXBNENTESA-N 0 3 420.557 4.314 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000554294565 942094030 /nfs/dbraw/zinc/09/40/30/942094030.db2.gz MCHOXVWDXGNMQL-DLBZAZTESA-N 0 3 402.560 4.328 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445342 942145830 /nfs/dbraw/zinc/14/58/30/942145830.db2.gz IKYWDEKNYKUHMV-XMSQKQJNSA-N 0 3 402.498 4.325 20 30 HIEDHN CC(C)(CCC#N)CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000568129872 946472578 /nfs/dbraw/zinc/47/25/78/946472578.db2.gz WCORZVKVRJHODY-FQEVSTJZSA-N 0 3 406.498 4.377 20 30 HIEDHN CN(C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 ZINC000571453854 947655024 /nfs/dbraw/zinc/65/50/24/947655024.db2.gz IIGDZXXNPDBSAQ-JOCHJYFZSA-N 0 3 401.470 4.170 20 30 HIEDHN CC(C)N1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574221828 948389537 /nfs/dbraw/zinc/38/95/37/948389537.db2.gz PPQMIIOLDVRZAX-IRLDBZIGSA-N 0 3 414.912 4.103 20 30 HIEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001164629902 719080602 /nfs/dbraw/zinc/08/06/02/719080602.db2.gz ZVNQEGFZFGKJBN-MSOLQXFVSA-N 0 3 402.876 4.252 20 30 HIEDHN CN(C)CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCC1 ZINC000436007354 861295498 /nfs/dbraw/zinc/29/54/98/861295498.db2.gz XKBFUWJQQIOJKJ-UHFFFAOYSA-N 0 3 419.529 4.149 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309479 861614471 /nfs/dbraw/zinc/61/44/71/861614471.db2.gz SIEILYDSGKORBB-BWAGFHJFSA-N 0 3 419.974 4.404 20 30 HIEDHN C=CCOc1c(Br)cc(CNC[C@H](c2ccco2)N(C)C)cc1OC ZINC000025355239 846966459 /nfs/dbraw/zinc/96/64/59/846966459.db2.gz QDTKIQUAVWVWEH-MRXNPFEDSA-N 0 3 409.324 4.008 20 30 HIEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027208174 847265987 /nfs/dbraw/zinc/26/59/87/847265987.db2.gz WAGQHQYDRKFRJD-DEOSSOPVSA-N 0 3 422.475 4.435 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000044566156 848570078 /nfs/dbraw/zinc/57/00/78/848570078.db2.gz FNVVIBYZTJKOFN-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207123 850284130 /nfs/dbraw/zinc/28/41/30/850284130.db2.gz LCXQNXHTLQXUPJ-MSOLQXFVSA-N 0 3 409.505 4.318 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000063401873 851679454 /nfs/dbraw/zinc/67/94/54/851679454.db2.gz WWXOGOLGUNUDSP-QFIPXVFZSA-N 0 3 422.529 4.129 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000065620002 852202140 /nfs/dbraw/zinc/20/21/40/852202140.db2.gz FXJCAGCZWDJFFB-DEOSSOPVSA-N 0 3 413.521 4.040 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437178799 862372200 /nfs/dbraw/zinc/37/22/00/862372200.db2.gz BBYMTLRBWCXREI-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000109485752 852976073 /nfs/dbraw/zinc/97/60/73/852976073.db2.gz ZZTVEQIHQMTONK-HSZRJFAPSA-N 0 3 423.582 4.192 20 30 HIEDHN CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000110989306 853181275 /nfs/dbraw/zinc/18/12/75/853181275.db2.gz MHSKKLFJUYCCOC-INIZCTEOSA-N 0 3 412.921 4.279 20 30 HIEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 ZINC000140386908 853442371 /nfs/dbraw/zinc/44/23/71/853442371.db2.gz VZOQVEGTRRVZDK-OAHLLOKOSA-N 0 3 411.870 4.433 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccc(C#N)cc1 ZINC000140900934 853456418 /nfs/dbraw/zinc/45/64/18/853456418.db2.gz JQSYHBHSOQSWIA-UHFFFAOYSA-N 0 3 403.448 4.100 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000165720294 853652746 /nfs/dbraw/zinc/65/27/46/853652746.db2.gz HYQKMICEVXJVDJ-JOCHJYFZSA-N 0 3 410.562 4.329 20 30 HIEDHN Cc1nc2cc(C(=O)C(C#N)c3nnc4n3CCCCC4)ccc2n1-c1ccccc1 ZINC000195556719 853682857 /nfs/dbraw/zinc/68/28/57/853682857.db2.gz GNENXBBTSSNGOV-LJQANCHMSA-N 0 3 410.481 4.142 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195604903 853708638 /nfs/dbraw/zinc/70/86/38/853708638.db2.gz CSZGBSZCHXFXQD-NRFANRHFSA-N 0 3 415.459 4.021 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000303276104 854846871 /nfs/dbraw/zinc/84/68/71/854846871.db2.gz KZABXQQGZUXSIX-UHFFFAOYSA-N 0 3 416.319 4.017 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 ZINC000303290529 854855151 /nfs/dbraw/zinc/85/51/51/854855151.db2.gz GXASYADGSUYCHY-UHFFFAOYSA-N 0 3 404.558 4.411 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CC1 ZINC000303347638 854885676 /nfs/dbraw/zinc/88/56/76/854885676.db2.gz QHHDIOUMXZXDND-UHFFFAOYSA-N 0 3 424.545 4.112 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425992631 856034264 /nfs/dbraw/zinc/03/42/64/856034264.db2.gz GARCJZNJRQKIQP-UHFFFAOYSA-N 0 3 417.469 4.079 20 30 HIEDHN C=CCOc1ccc(CNC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000428387215 857185733 /nfs/dbraw/zinc/18/57/33/857185733.db2.gz FRYGRTUTVSQLKB-UHFFFAOYSA-N 0 3 410.514 4.310 20 30 HIEDHN N#CCCC[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901802 858862462 /nfs/dbraw/zinc/86/24/62/858862462.db2.gz YHCVPIMGJQONIS-RPWUZVMVSA-N 0 3 420.557 4.012 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011031 859476232 /nfs/dbraw/zinc/47/62/32/859476232.db2.gz MJWPWSVZJBBZIE-FCHUYYIVSA-N 0 3 419.525 4.146 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000434678760 860455798 /nfs/dbraw/zinc/45/57/98/860455798.db2.gz KJPNKISEFDNTQO-SFHVURJKSA-N 0 3 412.603 4.064 20 30 HIEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434882185 860532794 /nfs/dbraw/zinc/53/27/94/860532794.db2.gz APVKFVJIQBJWQD-LBPRGKRZSA-N 0 3 414.478 4.303 20 30 HIEDHN COc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000434982962 860585042 /nfs/dbraw/zinc/58/50/42/860585042.db2.gz SJPLSSSOIJDZFS-UHFFFAOYSA-N 0 3 402.498 4.249 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440251492 865492285 /nfs/dbraw/zinc/49/22/85/865492285.db2.gz DFPXUSIRMDITTO-NRFANRHFSA-N 0 3 400.473 4.083 20 30 HIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442067743 867098717 /nfs/dbraw/zinc/09/87/17/867098717.db2.gz ASIAKNJEXKAFSZ-UHFFFAOYSA-N 0 3 424.398 4.192 20 30 HIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000442803793 867681224 /nfs/dbraw/zinc/68/12/24/867681224.db2.gz XVCRARBPPLWVCF-GFCCVEGCSA-N 0 3 421.400 4.320 20 30 HIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000442803794 867681334 /nfs/dbraw/zinc/68/13/34/867681334.db2.gz XVCRARBPPLWVCF-LBPRGKRZSA-N 0 3 421.400 4.320 20 30 HIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651610 868244075 /nfs/dbraw/zinc/24/40/75/868244075.db2.gz FGMWOCFTJAVVJL-AZUAARDMSA-N 0 3 410.489 4.315 20 30 HIEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651614 868245001 /nfs/dbraw/zinc/24/50/01/868245001.db2.gz FGMWOCFTJAVVJL-ICSRJNTNSA-N 0 3 410.489 4.315 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327116 882257805 /nfs/dbraw/zinc/25/78/05/882257805.db2.gz PBKOGPGSOMLXQF-MRXNPFEDSA-N 0 3 414.377 4.443 20 30 HIEDHN C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460371093 873005528 /nfs/dbraw/zinc/00/55/28/873005528.db2.gz UCWMZHOVAOLTPQ-REWPJTCUSA-N 0 3 423.605 4.086 20 30 HIEDHN C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460371092 873006450 /nfs/dbraw/zinc/00/64/50/873006450.db2.gz UCWMZHOVAOLTPQ-NZQKXSOJSA-N 0 3 423.605 4.086 20 30 HIEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460572890 873306752 /nfs/dbraw/zinc/30/67/52/873306752.db2.gz CEDNFRNZRPQIGJ-GPQLQYNLSA-N 0 3 409.578 4.051 20 30 HIEDHN Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462246632 875365246 /nfs/dbraw/zinc/36/52/46/875365246.db2.gz LQYRHTGTMWUWCQ-XXBNENTESA-N 0 3 413.525 4.252 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000462249542 875370106 /nfs/dbraw/zinc/37/01/06/875370106.db2.gz WKYPMNPYKJWJLG-MRXNPFEDSA-N 0 3 414.347 4.015 20 30 HIEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464839485 878107114 /nfs/dbraw/zinc/10/71/14/878107114.db2.gz PUMJGLVMTCNBRV-ZWKOTPCHSA-N 0 3 422.598 4.032 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000465589777 879071918 /nfs/dbraw/zinc/07/19/18/879071918.db2.gz DHNCWWYPGVRWGW-SGNDLWITSA-N 0 3 402.542 4.305 20 30 HIEDHN C[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000465632719 879145058 /nfs/dbraw/zinc/14/50/58/879145058.db2.gz LOLBFBJZTOLOFT-HXUWFJFHSA-N 0 3 422.598 4.097 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466225449 879924621 /nfs/dbraw/zinc/92/46/21/879924621.db2.gz ZLCDZUZSEBQERN-SFHVURJKSA-N 0 3 410.331 4.085 20 30 HIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000466602319 880372413 /nfs/dbraw/zinc/37/24/13/880372413.db2.gz VXWHABCRSBCQQB-UHFFFAOYSA-N 0 3 415.925 4.013 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000466604460 880373595 /nfs/dbraw/zinc/37/35/95/880373595.db2.gz OLVYKJNSPKJGNS-UHFFFAOYSA-N 0 3 404.558 4.044 20 30 HIEDHN Cc1c([C@H](C)NCCc2cccc(C#N)c2)nnn1-c1cccc(Br)c1 ZINC000467449452 881251709 /nfs/dbraw/zinc/25/17/09/881251709.db2.gz JVUNCILWSZRHLZ-AWEZNQCLSA-N 0 3 410.319 4.103 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCCCC2 ZINC000473178540 887957373 /nfs/dbraw/zinc/95/73/73/887957373.db2.gz XROWCTYHCHELFE-DEOSSOPVSA-N 0 3 421.566 4.349 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)CC1 ZINC000473816840 888643597 /nfs/dbraw/zinc/64/35/97/888643597.db2.gz IOUUUTXMONDSRL-UHFFFAOYSA-N 0 3 419.573 4.390 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474223309 889062541 /nfs/dbraw/zinc/06/25/41/889062541.db2.gz OOFICQWRLYOKMK-TZIWHRDSSA-N 0 3 422.598 4.226 20 30 HIEDHN Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H](CC#N)c3ccccc3)CC2)c1 ZINC000474780307 889638794 /nfs/dbraw/zinc/63/87/94/889638794.db2.gz KRUFXDCIFZSSQY-XMMPIXPASA-N 0 3 418.585 4.101 20 30 HIEDHN Cc1cccc(CC2(O)CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000475508083 890424621 /nfs/dbraw/zinc/42/46/21/890424621.db2.gz IIATYNDONBJJIZ-UHFFFAOYSA-N 0 3 414.553 4.342 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)[C@H](CC)Cc2ccccc2Br)CC1 ZINC000477051807 891980988 /nfs/dbraw/zinc/98/09/88/891980988.db2.gz SVULDYIDXGKSPS-GOSISDBHSA-N 0 3 408.384 4.062 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000477482445 892469642 /nfs/dbraw/zinc/46/96/42/892469642.db2.gz IJOBTMVTKAUYJF-GOSISDBHSA-N 0 3 423.538 4.393 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(Cl)cc1C#N ZINC000478932203 894212841 /nfs/dbraw/zinc/21/28/41/894212841.db2.gz NMAOFRKHIZDCCZ-UHFFFAOYSA-N 0 3 401.967 4.310 20 30 HIEDHN Cc1noc(-c2ccccc2)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000481460772 896854645 /nfs/dbraw/zinc/85/46/45/896854645.db2.gz BZWFKKPANMUUSJ-UHFFFAOYSA-N 0 3 403.486 4.117 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481764586 897151999 /nfs/dbraw/zinc/15/19/99/897151999.db2.gz YFBJUGUXGUWZNH-SFTDATJTSA-N 0 3 400.567 4.214 20 30 HIEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481925021 897309293 /nfs/dbraw/zinc/30/92/93/897309293.db2.gz UQUQDRPUDBSJMI-HSZRJFAPSA-N 0 3 411.571 4.144 20 30 HIEDHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481925022 897309517 /nfs/dbraw/zinc/30/95/17/897309517.db2.gz UQUQDRPUDBSJMI-QHCPKHFHSA-N 0 3 411.571 4.144 20 30 HIEDHN N#Cc1ccc(S(=O)(=O)CCNC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC000505473724 914149014 /nfs/dbraw/zinc/14/90/14/914149014.db2.gz XFBSJWUAQONHAI-UHFFFAOYSA-N 0 3 422.472 4.410 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482371844 897894822 /nfs/dbraw/zinc/89/48/22/897894822.db2.gz LVPTXRWOGOMENO-MRXNPFEDSA-N 0 3 421.410 4.231 20 30 HIEDHN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000482663032 898265042 /nfs/dbraw/zinc/26/50/42/898265042.db2.gz MTWVMEJUTPUVOH-IBGZPJMESA-N 0 3 424.504 4.025 20 30 HIEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1NC(=O)NC(C)(C)C ZINC000483193911 898851523 /nfs/dbraw/zinc/85/15/23/898851523.db2.gz GRTQZUMDXKPRGK-MRXNPFEDSA-N 0 3 401.470 4.348 20 30 HIEDHN N#CC(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000483211914 898862078 /nfs/dbraw/zinc/86/20/78/898862078.db2.gz IDRIUBRVYFLLFD-OAHLLOKOSA-N 0 3 407.355 4.324 20 30 HIEDHN N#CC(C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1cnc2ccccc2n1 ZINC000483234478 898878657 /nfs/dbraw/zinc/87/86/57/898878657.db2.gz MEQANEPZCFHIHK-LJQANCHMSA-N 0 3 408.417 4.011 20 30 HIEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C3CCCCC3)CC2)cc1C ZINC000483874164 899553177 /nfs/dbraw/zinc/55/31/77/899553177.db2.gz UDKKROFNAPPJGT-UHFFFAOYSA-N 0 3 419.573 4.171 20 30 HIEDHN CC(C)[C@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000484391403 899922339 /nfs/dbraw/zinc/92/23/39/899922339.db2.gz PNYVDQXQZDAHBN-NRFANRHFSA-N 0 3 414.347 4.098 20 30 HIEDHN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NCC(=O)Nc2sccc2C#N)cc1 ZINC000484635590 900084593 /nfs/dbraw/zinc/08/45/93/900084593.db2.gz IULSEQZYOQZCPM-PMACEKPBSA-N 0 3 413.543 4.327 20 30 HIEDHN CCc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C(CC)CC ZINC000485169377 900467591 /nfs/dbraw/zinc/46/75/91/900467591.db2.gz WWTPNEKHTSPVJG-UHFFFAOYSA-N 0 3 410.566 4.274 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000485336555 900623516 /nfs/dbraw/zinc/62/35/16/900623516.db2.gz KOBFMEHGGVOBHG-UHFFFAOYSA-N 0 3 401.942 4.250 20 30 HIEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC2CCCC2)c1 ZINC000485570809 900839140 /nfs/dbraw/zinc/83/91/40/900839140.db2.gz CDJHBGVLEFXJEM-UHFFFAOYSA-N 0 3 421.541 4.092 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000485603923 900863484 /nfs/dbraw/zinc/86/34/84/900863484.db2.gz HWXHXMLXDYYAPH-UHFFFAOYSA-N 0 3 422.298 4.014 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H](c1ccccc1)N(C)C ZINC000487997346 902519770 /nfs/dbraw/zinc/51/97/70/902519770.db2.gz VXBHSOQHOWWXSK-FZKQIMNGSA-N 0 3 401.308 4.134 20 30 HIEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466937 902839893 /nfs/dbraw/zinc/83/98/93/902839893.db2.gz MPAMDOHBTXCAMW-FOIQADDNSA-N 0 3 415.509 4.367 20 30 HIEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488650799 902919468 /nfs/dbraw/zinc/91/94/68/902919468.db2.gz CFNLLYQQNAFSIW-GOSISDBHSA-N 0 3 420.513 4.068 20 30 HIEDHN COc1cccc(NC2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491089190 904420605 /nfs/dbraw/zinc/42/06/05/904420605.db2.gz DRMKNLWUASOCTR-UHFFFAOYSA-N 0 3 401.514 4.044 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)Nc3ccccc3O)CC2)ccc1OC ZINC000506140944 914820580 /nfs/dbraw/zinc/82/05/80/914820580.db2.gz MANQXMXDBNZXMP-UHFFFAOYSA-N 0 3 410.514 4.206 20 30 HIEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@@H]2C1 ZINC000492123064 904802878 /nfs/dbraw/zinc/80/28/78/904802878.db2.gz VBBDQWZBGYJCRK-GHTZIAJQSA-N 0 3 424.932 4.349 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)CC1 ZINC000493806213 905223843 /nfs/dbraw/zinc/22/38/43/905223843.db2.gz FAKFXBDNKPPWOF-UHFFFAOYSA-N 0 3 409.599 4.468 20 30 HIEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCCC1 ZINC000494750228 905951629 /nfs/dbraw/zinc/95/16/29/905951629.db2.gz BNGYOZFFLWQZQT-IBGZPJMESA-N 0 3 412.578 4.011 20 30 HIEDHN C=CCOc1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1OC ZINC000512557776 921234981 /nfs/dbraw/zinc/23/49/81/921234981.db2.gz XSUPXHVCONWZQT-UHFFFAOYSA-N 0 3 404.514 4.425 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)c1 ZINC000512583952 921249661 /nfs/dbraw/zinc/24/96/61/921249661.db2.gz VWYVEJQOGDGYCV-UHFFFAOYSA-N 0 3 419.916 4.452 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247911 906638050 /nfs/dbraw/zinc/63/80/50/906638050.db2.gz UPRWULIPEQRBIO-VWEINGBSSA-N 0 3 424.545 4.270 20 30 HIEDHN COc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC(C)C ZINC000512632901 921268649 /nfs/dbraw/zinc/26/86/49/921268649.db2.gz IVLOEICUODVDNE-UHFFFAOYSA-N 0 3 407.514 4.205 20 30 HIEDHN Cc1ccc(C(C)C)c(Oc2ccc(CNCCn3cnc(C#N)n3)cc2[N+](=O)[O-])c1 ZINC000512898459 921391626 /nfs/dbraw/zinc/39/16/26/921391626.db2.gz CODKBPAKLXXTCX-UHFFFAOYSA-N 0 3 420.473 4.072 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1Cl ZINC000499051306 908423975 /nfs/dbraw/zinc/42/39/75/908423975.db2.gz CVEQSSPHIOIKCO-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN N#CC(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 ZINC000512973796 921447600 /nfs/dbraw/zinc/44/76/00/921447600.db2.gz BQWJJHQJPOZVDY-RBUKOAKNSA-N 0 3 405.479 4.253 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(CCc2ccccc2)n1 ZINC000499910845 909026437 /nfs/dbraw/zinc/02/64/37/909026437.db2.gz CTWPJKCOKCJZOG-UHFFFAOYSA-N 0 3 418.566 4.004 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2c(C)onc2-c2cccc(Br)c2)CC1 ZINC000502020903 910980927 /nfs/dbraw/zinc/98/09/27/910980927.db2.gz FRTIUDYSTFRQEN-UHFFFAOYSA-N 0 3 418.335 4.183 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318562 911291976 /nfs/dbraw/zinc/29/19/76/911291976.db2.gz DUGMRFZQYDCSBF-YADARESESA-N 0 3 400.526 4.192 20 30 HIEDHN C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)N(C)Cc1ccccc1 ZINC000513253727 921658767 /nfs/dbraw/zinc/65/87/67/921658767.db2.gz CXEIZHGIRFTYOF-HXUWFJFHSA-N 0 3 413.521 4.388 20 30 HIEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513284266 921683195 /nfs/dbraw/zinc/68/31/95/921683195.db2.gz LLBYTDPPTRVKQG-QHCPKHFHSA-N 0 3 411.505 4.270 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000506280961 914880808 /nfs/dbraw/zinc/88/08/08/914880808.db2.gz LXORLRSSLGAHNJ-UHFFFAOYSA-N 0 3 412.537 4.240 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000507222868 915977134 /nfs/dbraw/zinc/97/71/34/915977134.db2.gz XDERNKOAIGWCMO-HXUWFJFHSA-N 0 3 419.550 4.102 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2ccccc2)CC1 ZINC000507503847 916271200 /nfs/dbraw/zinc/27/12/00/916271200.db2.gz HZXALVVASAVCQY-QHCPKHFHSA-N 0 3 405.517 4.318 20 30 HIEDHN N#Cc1ccc(OC2CCC(NCc3csc(COc4ccccc4)n3)CC2)nc1 ZINC000507768824 916556096 /nfs/dbraw/zinc/55/60/96/916556096.db2.gz UGHTVZHOZFCFMO-UHFFFAOYSA-N 0 3 420.538 4.469 20 30 HIEDHN C=CCn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508731194 917491642 /nfs/dbraw/zinc/49/16/42/917491642.db2.gz VCRAHBFUTLRXSB-UHFFFAOYSA-N 0 3 410.525 4.002 20 30 HIEDHN CC(=O)c1ccc(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000508950283 917707097 /nfs/dbraw/zinc/70/70/97/917707097.db2.gz LUEXAHLHDQDMDH-UHFFFAOYSA-N 0 3 415.493 4.225 20 30 HIEDHN C[C@@H](OC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062487 917810035 /nfs/dbraw/zinc/81/00/35/917810035.db2.gz GXCWHTLFWAQJRY-DYESRHJHSA-N 0 3 414.933 4.194 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1OC ZINC000512298859 921055534 /nfs/dbraw/zinc/05/55/34/921055534.db2.gz JJILUIPYXRMYJJ-UHFFFAOYSA-N 0 3 420.553 4.451 20 30 HIEDHN N#CCCn1cc(CN2CCC(NC(=O)C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000512354708 921100240 /nfs/dbraw/zinc/10/02/40/921100240.db2.gz JBGZXOSCUSNLGS-UHFFFAOYSA-N 0 3 419.573 4.125 20 30 HIEDHN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517761651 926825255 /nfs/dbraw/zinc/82/52/55/926825255.db2.gz NCWOKEYCDFGBRK-SLFFLAALSA-N 0 3 403.615 4.083 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC000518023406 926964178 /nfs/dbraw/zinc/96/41/78/926964178.db2.gz OWLNVVPYXIROLC-UHFFFAOYSA-N 0 3 401.595 4.339 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)CC1 ZINC000518054320 926991236 /nfs/dbraw/zinc/99/12/36/926991236.db2.gz DNRYFBKWCAQPGX-UHFFFAOYSA-N 0 3 413.493 4.185 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000518055031 926992642 /nfs/dbraw/zinc/99/26/42/926992642.db2.gz IGWQQHPIPJDCEP-UHFFFAOYSA-N 0 3 406.486 4.131 20 30 HIEDHN C=C(C)COc1cc(CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC ZINC000518271875 927131720 /nfs/dbraw/zinc/13/17/20/927131720.db2.gz MTRPAPJKFNCUFD-QHCPKHFHSA-N 0 3 410.558 4.122 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000518509001 927316076 /nfs/dbraw/zinc/31/60/76/927316076.db2.gz KHCGWZZPZKJQPK-UHFFFAOYSA-N 0 3 407.558 4.243 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000518514822 927319494 /nfs/dbraw/zinc/31/94/94/927319494.db2.gz AILJZKHIFFQBHP-UHFFFAOYSA-N 0 3 406.530 4.409 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 ZINC000518919412 927627277 /nfs/dbraw/zinc/62/72/77/927627277.db2.gz VKNWQPYIPGHHSG-JOCHJYFZSA-N 0 3 400.482 4.087 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000520710474 928759348 /nfs/dbraw/zinc/75/93/48/928759348.db2.gz VCSSYZJGTOIEJS-GOSISDBHSA-N 0 3 411.521 4.415 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000521064110 928969575 /nfs/dbraw/zinc/96/95/75/928969575.db2.gz ZBEXWASRPWCKHB-UHFFFAOYSA-N 0 3 400.473 4.362 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)CCCCOc3cccc(C#N)c3)c(C)c2)CC1 ZINC000521090522 928986160 /nfs/dbraw/zinc/98/61/60/928986160.db2.gz MGEXSOGOLXNFET-UHFFFAOYSA-N 0 3 420.557 4.196 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC1 ZINC000521238110 929072761 /nfs/dbraw/zinc/07/27/61/929072761.db2.gz PUVGEZSEVSQSFZ-UHFFFAOYSA-N 0 3 405.542 4.128 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000521239386 929074430 /nfs/dbraw/zinc/07/44/30/929074430.db2.gz JBPAURONRQXSJR-UHFFFAOYSA-N 0 3 409.578 4.081 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)CC1 ZINC000521586307 929312795 /nfs/dbraw/zinc/31/27/95/929312795.db2.gz QRBZMKMCAPKLDP-UHFFFAOYSA-N 0 3 423.504 4.011 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000521585896 929313095 /nfs/dbraw/zinc/31/30/95/929313095.db2.gz GRBRKZBFRGSUPQ-UHFFFAOYSA-N 0 3 424.545 4.112 20 30 HIEDHN C[C@H](OC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666527 929782043 /nfs/dbraw/zinc/78/20/43/929782043.db2.gz CAVKGYRACXAXTE-LAUBAEHRSA-N 0 3 414.933 4.194 20 30 HIEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000527484728 930666521 /nfs/dbraw/zinc/66/65/21/930666521.db2.gz SRUDHFRJTUEFQA-HNNXBMFYSA-N 0 3 401.495 4.248 20 30 HIEDHN CN1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000530515690 930734090 /nfs/dbraw/zinc/73/40/90/930734090.db2.gz KFBHIPIITCUYOM-IEBWSBKVSA-N 0 3 418.419 4.066 20 30 HIEDHN CC(C)(C#N)CCCN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000532412751 931426490 /nfs/dbraw/zinc/42/64/90/931426490.db2.gz MPGNZYHSWOHWJU-HXUWFJFHSA-N 0 3 406.498 4.377 20 30 HIEDHN CCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970308 931720168 /nfs/dbraw/zinc/72/01/68/931720168.db2.gz GRIDPWUTTIWQDK-XQTRSNPVSA-N 0 3 415.603 4.402 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000533386167 931854453 /nfs/dbraw/zinc/85/44/53/931854453.db2.gz DTUXWWBYROBZSR-XMMPIXPASA-N 0 3 422.573 4.473 20 30 HIEDHN OCc1ccc(CNCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1F ZINC000535242023 933033333 /nfs/dbraw/zinc/03/33/33/933033333.db2.gz OKICUDWEHPIGFZ-MRXNPFEDSA-N 0 3 411.317 4.480 20 30 HIEDHN OCc1ccc(CNCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1F ZINC000535242022 933033464 /nfs/dbraw/zinc/03/34/64/933033464.db2.gz OKICUDWEHPIGFZ-INIZCTEOSA-N 0 3 411.317 4.480 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000535805898 933401141 /nfs/dbraw/zinc/40/11/41/933401141.db2.gz ZBFVICVPBUFAMB-UHFFFAOYSA-N 0 3 420.557 4.121 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000538156752 938527321 /nfs/dbraw/zinc/52/73/21/938527321.db2.gz RVZIWNBHQNCLGA-UHFFFAOYSA-N 0 3 422.529 4.109 20 30 HIEDHN COc1ccc(C[C@H](NCC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1OC ZINC000538159199 938528823 /nfs/dbraw/zinc/52/88/23/938528823.db2.gz SFWSYDUKHIDSPZ-QFIPXVFZSA-N 0 3 415.493 4.088 20 30 HIEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000538178094 938539614 /nfs/dbraw/zinc/53/96/14/938539614.db2.gz QPTRUADUUNHZNS-QHCPKHFHSA-N 0 3 403.457 4.218 20 30 HIEDHN C=CCN(Cc1ccc(OC)c(OC(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732246 938695860 /nfs/dbraw/zinc/69/58/60/938695860.db2.gz YDVSKBHXXYUIQS-HNNXBMFYSA-N 0 3 415.444 4.022 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1C ZINC000539333902 938843623 /nfs/dbraw/zinc/84/36/23/938843623.db2.gz JKMCIGYVKKTRLR-JTHBVZDNSA-N 0 3 405.542 4.308 20 30 HIEDHN C=CCN(Cc1c[nH]nc1-c1c(F)cccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832771 938951563 /nfs/dbraw/zinc/95/15/63/938951563.db2.gz ZBGKZDMISUGZFS-HNNXBMFYSA-N 0 3 421.455 4.080 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000539890124 938967480 /nfs/dbraw/zinc/96/74/80/938967480.db2.gz RLVONDNPTVLLIH-UHFFFAOYSA-N 0 3 414.431 4.262 20 30 HIEDHN Cc1cn(C2CCCCC2)nc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000541473262 939530104 /nfs/dbraw/zinc/53/01/04/939530104.db2.gz CZTFXUMYHQQGRF-UHFFFAOYSA-N 0 3 408.550 4.164 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(C)c2)CC1 ZINC000542359651 939807307 /nfs/dbraw/zinc/80/73/07/939807307.db2.gz SHPGKWKUSJOQKY-UHFFFAOYSA-N 0 3 417.557 4.205 20 30 HIEDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000543074161 939925805 /nfs/dbraw/zinc/92/58/05/939925805.db2.gz MBCDAALDPNKOHF-VGSWGCGISA-N 0 3 404.514 4.387 20 30 HIEDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC1CCCC1 ZINC000543152585 939976634 /nfs/dbraw/zinc/97/66/34/939976634.db2.gz SCOHQLZGIRTIRK-UHFFFAOYSA-N 0 3 421.541 4.092 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN[C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000543503586 940087560 /nfs/dbraw/zinc/08/75/60/940087560.db2.gz CXRZYOPXUXQNEX-QGZVFWFLSA-N 0 3 422.533 4.075 20 30 HIEDHN C[C@@H]1CN(c2ccccc2NC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543758895 940177071 /nfs/dbraw/zinc/17/70/71/940177071.db2.gz IZKXFHJOOHEEKW-BGYRXZFFSA-N 0 3 404.558 4.248 20 30 HIEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000544416354 940417768 /nfs/dbraw/zinc/41/77/68/940417768.db2.gz WUJIZMNBOPRVEY-OAQYLSRUSA-N 0 3 410.564 4.276 20 30 HIEDHN CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544850460 940519162 /nfs/dbraw/zinc/51/91/62/940519162.db2.gz BZYKADIIARCORC-HSZRJFAPSA-N 0 3 405.542 4.230 20 30 HIEDHN CN(C)C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000549232323 941172649 /nfs/dbraw/zinc/17/26/49/941172649.db2.gz BIUZRHXUOZWTBG-OAQYLSRUSA-N 0 3 423.900 4.416 20 30 HIEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549326478 941180269 /nfs/dbraw/zinc/18/02/69/941180269.db2.gz PNYNZQZDMKGROM-WOJBJXKFSA-N 0 3 415.626 4.228 20 30 HIEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000549634703 941202252 /nfs/dbraw/zinc/20/22/52/941202252.db2.gz VXCXSKUTEJITHV-KSEOMHKRSA-N 0 3 409.578 4.053 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000552929819 941804875 /nfs/dbraw/zinc/80/48/75/941804875.db2.gz AVUXHUIFZMRLSO-UHFFFAOYSA-N 0 3 410.537 4.016 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN([C@@H](C)CO)C2CCCC2)c1C#N ZINC000553918134 941997809 /nfs/dbraw/zinc/99/78/09/941997809.db2.gz SWLRLWQIODEEGX-INIZCTEOSA-N 0 3 400.567 4.046 20 30 HIEDHN COc1cccc([C@H]2[C@H](NCc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131120 942395976 /nfs/dbraw/zinc/39/59/76/942395976.db2.gz ZIIXNGYSQRTNLP-IRLDBZIGSA-N 0 3 413.468 4.236 20 30 HIEDHN COc1ccc(C[C@@H](NCCn2cnc(C#N)n2)c2cc(Cl)ccc2Cl)cc1 ZINC000556925029 942968290 /nfs/dbraw/zinc/96/82/90/942968290.db2.gz XZYISIRPXLZACO-LJQANCHMSA-N 0 3 416.312 4.039 20 30 HIEDHN C=CCn1cccc1C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000557448911 943132924 /nfs/dbraw/zinc/13/29/24/943132924.db2.gz PLSJMIBEBKHTNJ-XMMPIXPASA-N 0 3 414.553 4.376 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000560055040 944143100 /nfs/dbraw/zinc/14/31/00/944143100.db2.gz DLRYGYAOPOQGQC-IBGZPJMESA-N 0 3 414.377 4.411 20 30 HIEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)ccc1Cl ZINC000560598166 944269837 /nfs/dbraw/zinc/26/98/37/944269837.db2.gz BCSAEISKTCYCMG-IBGZPJMESA-N 0 3 419.916 4.416 20 30 HIEDHN Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000560601548 944270828 /nfs/dbraw/zinc/27/08/28/944270828.db2.gz RUSOHNKYFQYOIR-IBGZPJMESA-N 0 3 419.916 4.416 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561241032 944525588 /nfs/dbraw/zinc/52/55/88/944525588.db2.gz DPGRRURXKQGOOZ-QFIPXVFZSA-N 0 3 412.553 4.420 20 30 HIEDHN CN1C(=O)C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000562200114 945016761 /nfs/dbraw/zinc/01/67/61/945016761.db2.gz COZPTXPNAXJOFK-MJGOQNOKSA-N 0 3 407.823 4.292 20 30 HIEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000565863004 945898255 /nfs/dbraw/zinc/89/82/55/945898255.db2.gz QPRZDGFRBUREIX-GOSISDBHSA-N 0 3 415.497 4.388 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000570731079 947338040 /nfs/dbraw/zinc/33/80/40/947338040.db2.gz FZCLEAUUWDVPIS-RUZDIDTESA-N 0 3 417.553 4.234 20 30 HIEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164626625 719070693 /nfs/dbraw/zinc/07/06/93/719070693.db2.gz OVIVXCRGUNDGSM-LPHOPBHVSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627785 719080100 /nfs/dbraw/zinc/08/01/00/719080100.db2.gz QRDBBRAFOLNEFY-QFBILLFUSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164628835 719090062 /nfs/dbraw/zinc/09/00/62/719090062.db2.gz OXGQIWUYJCALLE-QFBILLFUSA-N 0 3 402.876 4.252 20 30 HIEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164731179 720490601 /nfs/dbraw/zinc/49/06/01/720490601.db2.gz WJTVZCVJIDBCAO-WOJBJXKFSA-N 0 3 403.917 4.317 20 30 HIEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909901 721552120 /nfs/dbraw/zinc/55/21/20/721552120.db2.gz VDLGEOZVZMWZSK-WMZOPIPTSA-N 0 3 422.891 4.241 20 30 HIEDHN N#Cc1ccc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908505 721699506 /nfs/dbraw/zinc/69/95/06/721699506.db2.gz ZOTXHCBNSQLZKW-HSZRJFAPSA-N 0 3 419.479 4.239 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303526 861606934 /nfs/dbraw/zinc/60/69/34/861606934.db2.gz CTQPWEAUHFMIQQ-HSQYWUDLSA-N 0 3 421.509 4.029 20 30 HIEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855842 845986666 /nfs/dbraw/zinc/98/66/66/845986666.db2.gz ZDRQZTNVCNNTOC-KRWDZBQOSA-N 0 3 405.523 4.066 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342682 861654587 /nfs/dbraw/zinc/65/45/87/861654587.db2.gz VCXJMVUYVUOBPE-LOSJGSFVSA-N 0 3 416.569 4.129 20 30 HIEDHN C=CCSc1nc2ccccc2n1CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000022003170 846519539 /nfs/dbraw/zinc/51/95/39/846519539.db2.gz BPWBNCOKQIXTOI-UHFFFAOYSA-N 0 3 406.555 4.166 20 30 HIEDHN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c(C#N)cc1N(C)C ZINC000436483461 861820037 /nfs/dbraw/zinc/82/00/37/861820037.db2.gz CHWMHWZOJHXYHV-LJQANCHMSA-N 0 3 405.546 4.061 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C#N ZINC000032761051 848073028 /nfs/dbraw/zinc/07/30/28/848073028.db2.gz YQENXWDTAMLWJZ-OAQYLSRUSA-N 0 3 406.555 4.119 20 30 HIEDHN N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000046744108 848924067 /nfs/dbraw/zinc/92/40/67/848924067.db2.gz MEAJGKZQZKSVCD-DEOSSOPVSA-N 0 3 411.505 4.142 20 30 HIEDHN CC(C)(NCC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cc1 ZINC000054990026 849953157 /nfs/dbraw/zinc/95/31/57/849953157.db2.gz DPIDUGUHNFKLMY-UHFFFAOYSA-N 0 3 400.320 4.221 20 30 HIEDHN C=CCc1cc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000065290711 852101054 /nfs/dbraw/zinc/10/10/54/852101054.db2.gz GOYTYPQDJATMKE-GCJKJVERSA-N 0 3 423.557 4.067 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)CC1 ZINC000065749822 852243970 /nfs/dbraw/zinc/24/39/70/852243970.db2.gz NOTZTVBUOJCSNY-UHFFFAOYSA-N 0 3 424.548 4.264 20 30 HIEDHN Cc1ccc(-c2cnc(CCC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)o2)cc1 ZINC000065930767 852320982 /nfs/dbraw/zinc/32/09/82/852320982.db2.gz VGBRDGFYMPPYJR-UHFFFAOYSA-N 0 3 416.525 4.045 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCCc1nc2ccccc2s1 ZINC000065931030 852322108 /nfs/dbraw/zinc/32/21/08/852322108.db2.gz MFEQUKMPRWUEEQ-UHFFFAOYSA-N 0 3 420.582 4.471 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000065930975 852322396 /nfs/dbraw/zinc/32/23/96/852322396.db2.gz OFVJJRPRQJBLDS-UHFFFAOYSA-N 0 3 419.500 4.480 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327568 852602754 /nfs/dbraw/zinc/60/27/54/852602754.db2.gz PLCUGIVAXJWORQ-NHCUHLMSSA-N 0 3 415.459 4.271 20 30 HIEDHN N#Cc1c(NC(=O)CCN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000105422281 852704576 /nfs/dbraw/zinc/70/45/76/852704576.db2.gz HTOKXJYWSHPUJW-OAHLLOKOSA-N 0 3 415.584 4.180 20 30 HIEDHN Cc1nc(-c2cccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)oc1C ZINC000195635547 853728883 /nfs/dbraw/zinc/72/88/83/853728883.db2.gz ZPHODWVKASXDRZ-UHFFFAOYSA-N 0 3 417.513 4.426 20 30 HIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(Oc3cnccn3)cc2)ccc1OC ZINC000236896088 853933982 /nfs/dbraw/zinc/93/39/82/853933982.db2.gz AFSJWMSUBYKXHS-LJQANCHMSA-N 0 3 404.470 4.248 20 30 HIEDHN CCOc1c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1CC(C)C ZINC000237026345 853953536 /nfs/dbraw/zinc/95/35/36/853953536.db2.gz DTJIFUZPRHKOQB-LJQANCHMSA-N 0 3 413.541 4.016 20 30 HIEDHN C=CCc1cc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc(OC)c1O ZINC000237247357 853989938 /nfs/dbraw/zinc/98/99/38/853989938.db2.gz ITWBSFNLKLRFAL-UHFFFAOYSA-N 0 3 417.509 4.091 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CNCc2ccccc2N2CCOCC2)c1 ZINC000237838558 854106598 /nfs/dbraw/zinc/10/65/98/854106598.db2.gz FOQFYEZQJIMLGK-UHFFFAOYSA-N 0 3 413.521 4.264 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000303303483 854861701 /nfs/dbraw/zinc/86/17/01/854861701.db2.gz DENDUDMFDWWYMN-GOSISDBHSA-N 0 3 402.608 4.073 20 30 HIEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)CC1 ZINC000303305613 854862387 /nfs/dbraw/zinc/86/23/87/854862387.db2.gz QTOHHJUPZYTYDM-UHFFFAOYSA-N 0 3 421.372 4.105 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303435151 854935480 /nfs/dbraw/zinc/93/54/80/854935480.db2.gz GSVMYPJNBGEPJG-NHCUHLMSSA-N 0 3 415.459 4.271 20 30 HIEDHN CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000409815106 855669263 /nfs/dbraw/zinc/66/92/63/855669263.db2.gz YXRYASIZHQNAGL-XXBNENTESA-N 0 3 413.525 4.042 20 30 HIEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2sccc2C#N)CC1 ZINC000426799257 856485870 /nfs/dbraw/zinc/48/58/70/856485870.db2.gz KNVHEGZKUYBCOV-UHFFFAOYSA-N 0 3 418.360 4.119 20 30 HIEDHN C=CCN(C)Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000428379721 857183727 /nfs/dbraw/zinc/18/37/27/857183727.db2.gz KKYLYYVWKDFILY-UHFFFAOYSA-N 0 3 408.420 4.349 20 30 HIEDHN N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)c2)cc1 ZINC000428552733 857261467 /nfs/dbraw/zinc/26/14/67/857261467.db2.gz VOVJYVRJXIUGRK-XMMPIXPASA-N 0 3 412.493 4.121 20 30 HIEDHN N#Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)C2)nc1 ZINC000428802787 857349973 /nfs/dbraw/zinc/34/99/73/857349973.db2.gz JWFRFMVYCRTYKO-NRFANRHFSA-N 0 3 412.493 4.102 20 30 HIEDHN COc1cc(Cl)c(Br)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000429112837 857515329 /nfs/dbraw/zinc/51/53/29/857515329.db2.gz IRDIQRMPSYTSLE-NSHDSACASA-N 0 3 418.678 4.488 20 30 HIEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)nc1 ZINC000430157245 858057125 /nfs/dbraw/zinc/05/71/25/858057125.db2.gz PSRXTLFSWRHERW-XMMPIXPASA-N 0 3 410.477 4.057 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433015727 859479404 /nfs/dbraw/zinc/47/94/04/859479404.db2.gz YHWGORSBAHIYLV-JOCHJYFZSA-N 0 3 410.949 4.013 20 30 HIEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433019974 859481821 /nfs/dbraw/zinc/48/18/21/859481821.db2.gz LXRCYCWIZIWOQB-QFIPXVFZSA-N 0 3 401.514 4.452 20 30 HIEDHN Cc1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)n(-c2ccccc2F)n1 ZINC000433022794 859484578 /nfs/dbraw/zinc/48/45/78/859484578.db2.gz MAVGYQRVHCVIFQ-HXUWFJFHSA-N 0 3 405.477 4.283 20 30 HIEDHN C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 ZINC000467690245 881483735 /nfs/dbraw/zinc/48/37/35/881483735.db2.gz COCQLABXQKSCOL-AVRDEDQJSA-N 0 3 412.493 4.138 20 30 HIEDHN C=CCOc1ccccc1C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435294567 860724211 /nfs/dbraw/zinc/72/42/11/860724211.db2.gz KNKKGPCSNPZHRF-OAQYLSRUSA-N 0 3 416.525 4.456 20 30 HIEDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000438597098 864025611 /nfs/dbraw/zinc/02/56/11/864025611.db2.gz GHCUJEDFVCQEBA-UHFFFAOYSA-N 0 3 414.456 4.288 20 30 HIEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC1 ZINC000442268958 867298715 /nfs/dbraw/zinc/29/87/15/867298715.db2.gz OGQXLRPGNGKRBF-UHFFFAOYSA-N 0 3 423.582 4.160 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)cc3C)n2)cc1 ZINC000442867969 867705243 /nfs/dbraw/zinc/70/52/43/867705243.db2.gz BHNWOBYWBYKTKV-IBGZPJMESA-N 0 3 415.478 4.198 20 30 HIEDHN N#Cc1cccc(OC2CCN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000443633803 868212763 /nfs/dbraw/zinc/21/27/63/868212763.db2.gz QJQOCKKLPSUYGS-GOSISDBHSA-N 0 3 404.432 4.024 20 30 HIEDHN CN1CCC(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cn2)CC1 ZINC000444264786 868706344 /nfs/dbraw/zinc/70/63/44/868706344.db2.gz FCHRJIMYTHVUSV-UHFFFAOYSA-N 0 3 417.513 4.065 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1noc(-c2ccccc2)n1 ZINC000446066313 870025107 /nfs/dbraw/zinc/02/51/07/870025107.db2.gz AJAQEBSDCGLLPA-QGZVFWFLSA-N 0 3 424.574 4.396 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000448206270 872100356 /nfs/dbraw/zinc/10/03/56/872100356.db2.gz UNGLXXSNXOMSDH-UHFFFAOYSA-N 0 3 408.384 4.066 20 30 HIEDHN C=C(C)COc1cc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)ccc1OC ZINC000468589786 882674001 /nfs/dbraw/zinc/67/40/01/882674001.db2.gz MWTZDZVOPAEREN-UHFFFAOYSA-N 0 3 412.921 4.482 20 30 HIEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460367214 873000356 /nfs/dbraw/zinc/00/03/56/873000356.db2.gz ASWOFQJXTGOCHQ-BLKABHOGSA-N 0 3 409.578 4.018 20 30 HIEDHN Cc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC(C)C)o1 ZINC000460751145 873588408 /nfs/dbraw/zinc/58/84/08/873588408.db2.gz ZCVRAZPSVVRVGU-UHFFFAOYSA-N 0 3 418.545 4.087 20 30 HIEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460769261 873615964 /nfs/dbraw/zinc/61/59/64/873615964.db2.gz HNZNZPUHSARGNT-MXNKGDRCSA-N 0 3 409.578 4.018 20 30 HIEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000460816655 873697826 /nfs/dbraw/zinc/69/78/26/873697826.db2.gz RVSKZONSEIHNNG-FQEVSTJZSA-N 0 3 415.626 4.057 20 30 HIEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952174 875082456 /nfs/dbraw/zinc/08/24/56/875082456.db2.gz ZVHISGRDXNKOQQ-LPHOPBHVSA-N 0 3 409.361 4.293 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462018089 875135642 /nfs/dbraw/zinc/13/56/42/875135642.db2.gz YRPRSCXUJPJYRH-LJQANCHMSA-N 0 3 417.340 4.130 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462018088 875136293 /nfs/dbraw/zinc/13/62/93/875136293.db2.gz YRPRSCXUJPJYRH-IBGZPJMESA-N 0 3 417.340 4.130 20 30 HIEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000463189243 876247587 /nfs/dbraw/zinc/24/75/87/876247587.db2.gz KORFPUSSDCKOBH-INIZCTEOSA-N 0 3 405.477 4.063 20 30 HIEDHN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000463704720 876823871 /nfs/dbraw/zinc/82/38/71/876823871.db2.gz DYSQTSIBZIENMQ-UHFFFAOYSA-N 0 3 412.555 4.104 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000464510535 877734194 /nfs/dbraw/zinc/73/41/94/877734194.db2.gz LMZLLDMUCKWUCB-AWEZNQCLSA-N 0 3 407.380 4.055 20 30 HIEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1Br ZINC000503356263 912330222 /nfs/dbraw/zinc/33/02/22/912330222.db2.gz QXWUFQJCVBSHRJ-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000465858272 879504954 /nfs/dbraw/zinc/50/49/54/879504954.db2.gz IUWFSJXFHRHQMO-QFIPXVFZSA-N 0 3 413.949 4.388 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466220183 879914768 /nfs/dbraw/zinc/91/47/68/879914768.db2.gz COIWMTNXHAQEDI-LJQANCHMSA-N 0 3 424.358 4.475 20 30 HIEDHN Cn1cc(CNCc2cc3cc(Br)ccc3[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000466465619 880247901 /nfs/dbraw/zinc/24/79/01/880247901.db2.gz WRGGKHDRNJGXJP-UHFFFAOYSA-N 0 3 420.314 4.492 20 30 HIEDHN CN1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1cccs1 ZINC000469208883 883309282 /nfs/dbraw/zinc/30/92/82/883309282.db2.gz CODWLMLHSVDLJH-DYESRHJHSA-N 0 3 406.511 4.088 20 30 HIEDHN CN(C(=O)NCCSCc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470720763 885167119 /nfs/dbraw/zinc/16/71/19/885167119.db2.gz ZBMJYZHKGUOTLF-QHCPKHFHSA-N 0 3 422.598 4.097 20 30 HIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473832532 888668585 /nfs/dbraw/zinc/66/85/85/888668585.db2.gz WJBZTXGLIZPNCI-UHFFFAOYSA-N 0 3 405.546 4.144 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474223306 889061592 /nfs/dbraw/zinc/06/15/92/889061592.db2.gz OOFICQWRLYOKMK-CTNGQTDRSA-N 0 3 422.598 4.226 20 30 HIEDHN CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474627310 889489716 /nfs/dbraw/zinc/48/97/16/889489716.db2.gz DIQRPQNVXWFSIC-RUZDIDTESA-N 0 3 410.521 4.220 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000474995411 889847595 /nfs/dbraw/zinc/84/75/95/889847595.db2.gz PIFHQRSUPJIFHB-UHFFFAOYSA-N 0 3 408.333 4.341 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475715390 890653701 /nfs/dbraw/zinc/65/37/01/890653701.db2.gz MPKYEDXHUOAVBI-AQYVVDRMSA-N 0 3 410.949 4.231 20 30 HIEDHN C=C(C)[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721990 892826504 /nfs/dbraw/zinc/82/65/04/892826504.db2.gz KBKQSAZGYKLAJI-JKSBSHDWSA-N 0 3 421.532 4.113 20 30 HIEDHN Cn1cc(CNCc2cccc(COCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478279991 893482210 /nfs/dbraw/zinc/48/22/10/893482210.db2.gz SJGKBMHABAISRB-UHFFFAOYSA-N 0 3 414.431 4.327 20 30 HIEDHN COc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Br ZINC000479887950 895235158 /nfs/dbraw/zinc/23/51/58/895235158.db2.gz KTRWKKSDLAFFNC-UHFFFAOYSA-N 0 3 411.303 4.020 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cc(F)cc(F)c1 ZINC000505434371 914098190 /nfs/dbraw/zinc/09/81/90/914098190.db2.gz XFDUVWVPIWQMPL-QGZVFWFLSA-N 0 3 409.392 4.244 20 30 HIEDHN CC(C)C[C@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058166 898734261 /nfs/dbraw/zinc/73/42/61/898734261.db2.gz IXTQBCHQCHVOHV-VQTJNVASSA-N 0 3 406.368 4.108 20 30 HIEDHN C=C(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000483301204 898932775 /nfs/dbraw/zinc/93/27/75/898932775.db2.gz FUQKEOPZBNPFLJ-QFIPXVFZSA-N 0 3 412.484 4.227 20 30 HIEDHN C=C(C)[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000483306910 898937115 /nfs/dbraw/zinc/93/71/15/898937115.db2.gz UZBXKGVWLDTRJP-NRFANRHFSA-N 0 3 403.473 4.481 20 30 HIEDHN Cc1cc(-c2noc([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483640846 899296367 /nfs/dbraw/zinc/29/63/67/899296367.db2.gz SJDDMKCKNHTPSF-QGZVFWFLSA-N 0 3 419.504 4.371 20 30 HIEDHN CC(C)[C@@](C)(NCC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000484328409 899883028 /nfs/dbraw/zinc/88/30/28/899883028.db2.gz ITDYRNCWTDZIFZ-GOSISDBHSA-N 0 3 406.349 4.482 20 30 HIEDHN CC(C)[C@@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000484391404 899922305 /nfs/dbraw/zinc/92/23/05/899922305.db2.gz PNYVDQXQZDAHBN-OAQYLSRUSA-N 0 3 414.347 4.098 20 30 HIEDHN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000486782743 901851384 /nfs/dbraw/zinc/85/13/84/901851384.db2.gz YPLJSOUVXFHPJJ-SFHVURJKSA-N 0 3 412.603 4.360 20 30 HIEDHN Clc1ccc(C#CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000486832923 901884421 /nfs/dbraw/zinc/88/44/21/901884421.db2.gz ILGZTNUXKJJZEX-AUSIDOKSSA-N 0 3 404.901 4.190 20 30 HIEDHN Cc1ccc(-c2ccc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000486909884 901957440 /nfs/dbraw/zinc/95/74/40/901957440.db2.gz WOIWWEAGGKAGQY-JOCHJYFZSA-N 0 3 401.535 4.486 20 30 HIEDHN N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000493961265 905311707 /nfs/dbraw/zinc/31/17/07/905311707.db2.gz MUHRBBVVXUETOH-DEOSSOPVSA-N 0 3 411.505 4.142 20 30 HIEDHN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC[C@@H]1C1CCCC1)CCCC2 ZINC000494791609 905992623 /nfs/dbraw/zinc/99/26/23/905992623.db2.gz FJLRODNIYZBLSF-DENIHFKCSA-N 0 3 424.589 4.011 20 30 HIEDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000497403914 906882552 /nfs/dbraw/zinc/88/25/52/906882552.db2.gz NSENFXGYAIAVKW-LOSJGSFVSA-N 0 3 411.505 4.373 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1OC ZINC000512709678 921293797 /nfs/dbraw/zinc/29/37/97/921293797.db2.gz DIXHTDZILWXVEJ-UHFFFAOYSA-N 0 3 422.569 4.487 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)c(F)c1 ZINC000512806409 921314995 /nfs/dbraw/zinc/31/49/95/921314995.db2.gz VLUCTSMITDTVLQ-UHFFFAOYSA-N 0 3 419.859 4.362 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nccn1Cc1ccccc1 ZINC000497927415 907394501 /nfs/dbraw/zinc/39/45/01/907394501.db2.gz JEZZXRIGLKFJJC-UHFFFAOYSA-N 0 3 422.602 4.030 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 ZINC000498242303 907777162 /nfs/dbraw/zinc/77/71/62/907777162.db2.gz GSZHNJHPLUJDBU-UHFFFAOYSA-N 0 3 407.558 4.148 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000499194575 908549078 /nfs/dbraw/zinc/54/90/78/908549078.db2.gz PLFUBALSEHLXJN-NFBKMPQASA-N 0 3 409.578 4.215 20 30 HIEDHN CC(C)Cn1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C(C)C ZINC000499972191 909416054 /nfs/dbraw/zinc/41/60/54/909416054.db2.gz JMEAPFIHLADVEY-UHFFFAOYSA-N 0 3 410.566 4.130 20 30 HIEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000513074164 921527995 /nfs/dbraw/zinc/52/79/95/921527995.db2.gz HLWXSNFRFCIGFP-KRWDZBQOSA-N 0 3 404.967 4.498 20 30 HIEDHN CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501949447 910936128 /nfs/dbraw/zinc/93/61/28/910936128.db2.gz RLTSVKVGMLJSAV-XXBNENTESA-N 0 3 407.583 4.475 20 30 HIEDHN CN(C)CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CCCCC1 ZINC000513302877 921698128 /nfs/dbraw/zinc/69/81/28/921698128.db2.gz ZSUMCJDCOCZBJU-UHFFFAOYSA-N 0 3 405.542 4.474 20 30 HIEDHN CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439909 916209386 /nfs/dbraw/zinc/20/93/86/916209386.db2.gz HDHMGXPBZMZAMP-MBSDFSHPSA-N 0 3 418.541 4.184 20 30 HIEDHN COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)N2CCCC2)cc1 ZINC000508058773 916883431 /nfs/dbraw/zinc/88/34/31/916883431.db2.gz AQWIMSBSOAJELW-HXUWFJFHSA-N 0 3 409.534 4.082 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509207987 917909792 /nfs/dbraw/zinc/90/97/92/917909792.db2.gz CQNLMUWUDZXCIE-OAHLLOKOSA-N 0 3 406.368 4.118 20 30 HIEDHN C=CCc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(OC)c1O ZINC000509372949 918037800 /nfs/dbraw/zinc/03/78/00/918037800.db2.gz PCCOTIYAQNKRPN-QGZVFWFLSA-N 0 3 415.921 4.028 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000509500973 918146568 /nfs/dbraw/zinc/14/65/68/918146568.db2.gz BXWMVAKRXIVCJX-QAPCUYQASA-N 0 3 406.555 4.118 20 30 HIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000510634306 919075282 /nfs/dbraw/zinc/07/52/82/919075282.db2.gz JOILDTZWDSYSTJ-UHFFFAOYSA-N 0 3 401.942 4.364 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000513471171 921831782 /nfs/dbraw/zinc/83/17/82/921831782.db2.gz KBTCUBVHRKBOQO-UHFFFAOYSA-N 0 3 413.521 4.341 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000513672438 921995271 /nfs/dbraw/zinc/99/52/71/921995271.db2.gz ROUHWVLQVZKCBT-GOSISDBHSA-N 0 3 424.439 4.179 20 30 HIEDHN C=CCc1cc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc(OC)c1OC ZINC000513883860 922213374 /nfs/dbraw/zinc/21/33/74/922213374.db2.gz LWUNMNRNQFHULC-QFIPXVFZSA-N 0 3 423.557 4.069 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(-c2ccccc2)on1 ZINC000514874328 922827396 /nfs/dbraw/zinc/82/73/96/922827396.db2.gz QSYMKCJHWVWVTG-UHFFFAOYSA-N 0 3 409.559 4.440 20 30 HIEDHN CN(C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000515375131 923070901 /nfs/dbraw/zinc/07/09/01/923070901.db2.gz YJKITHVOEWERAC-HXUWFJFHSA-N 0 3 405.527 4.030 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)o1 ZINC000515771546 923338632 /nfs/dbraw/zinc/33/86/32/923338632.db2.gz VFOPARFEFVFVPE-QFIPXVFZSA-N 0 3 415.493 4.297 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000515799955 923358315 /nfs/dbraw/zinc/35/83/15/923358315.db2.gz HJPMXIGGUWIPPS-UHFFFAOYSA-N 0 3 405.527 4.277 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000516270358 923638107 /nfs/dbraw/zinc/63/81/07/923638107.db2.gz UUDYTEWWTUKGDF-LJQANCHMSA-N 0 3 400.463 4.494 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000517319448 924100283 /nfs/dbraw/zinc/10/02/83/924100283.db2.gz VFXRXIQTCMUSIN-LJQANCHMSA-N 0 3 406.368 4.336 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000517327998 924105022 /nfs/dbraw/zinc/10/50/22/924105022.db2.gz WAEZEMXRWLZTIB-UHFFFAOYSA-N 0 3 418.541 4.052 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654598 926761722 /nfs/dbraw/zinc/76/17/22/926761722.db2.gz ZJVBZDRUTAXGSZ-PGRDOPGGSA-N 0 3 412.493 4.311 20 30 HIEDHN CCOc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000518302744 927162877 /nfs/dbraw/zinc/16/28/77/927162877.db2.gz WOAGJAMKIYZNLB-QGZVFWFLSA-N 0 3 419.447 4.456 20 30 HIEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000518375597 927228357 /nfs/dbraw/zinc/22/83/57/927228357.db2.gz KZJAWBZEOKUTNU-UHFFFAOYSA-N 0 3 418.585 4.145 20 30 HIEDHN CCc1ccc([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 ZINC000518389938 927236150 /nfs/dbraw/zinc/23/61/50/927236150.db2.gz IXNVXEVRXLOAIT-QHCPKHFHSA-N 0 3 414.509 4.341 20 30 HIEDHN N#Cc1ccc(C(F)(F)F)nc1SC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000518803302 927502252 /nfs/dbraw/zinc/50/22/52/927502252.db2.gz SLLKMZDSIHZHSU-QGZVFWFLSA-N 0 3 407.461 4.355 20 30 HIEDHN N#CC(C(=O)c1ccc(-n2cncn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000520427564 928559130 /nfs/dbraw/zinc/55/91/30/928559130.db2.gz OOLWOFTZLRYFFB-CQSZACIVSA-N 0 3 407.405 4.159 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C1CCC(C(C)(C)C)CC1 ZINC000520525545 928619196 /nfs/dbraw/zinc/61/91/96/928619196.db2.gz PKDWUUKJJOLABT-UHFFFAOYSA-N 0 3 416.610 4.488 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520952232 928887419 /nfs/dbraw/zinc/88/74/19/928887419.db2.gz GVCUTDBVDMYYRO-IBGZPJMESA-N 0 3 418.434 4.224 20 30 HIEDHN COc1ccc2sc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c(C)c2c1 ZINC000525162661 930072750 /nfs/dbraw/zinc/07/27/50/930072750.db2.gz MBGVBSWHHKSLAV-UHFFFAOYSA-N 0 3 407.539 4.294 20 30 HIEDHN N#Cc1cccc(OC2CCN(CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000525422439 930231987 /nfs/dbraw/zinc/23/19/87/930231987.db2.gz ZHVPLFCWYHXTQS-UHFFFAOYSA-N 0 3 408.889 4.348 20 30 HIEDHN C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C#N)cc1 ZINC000531695241 931158361 /nfs/dbraw/zinc/15/83/61/931158361.db2.gz BWLGEGUMDZPUHR-IAGOWNOFSA-N 0 3 409.511 4.042 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000538239122 938570405 /nfs/dbraw/zinc/57/04/05/938570405.db2.gz FIUHNHMLOYDMSM-SFHVURJKSA-N 0 3 421.932 4.432 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538685736 938684014 /nfs/dbraw/zinc/68/40/14/938684014.db2.gz PXEKIJCCRUQLCC-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000539209504 938819302 /nfs/dbraw/zinc/81/93/02/938819302.db2.gz CUVUTDBWIQSOSJ-UHFFFAOYSA-N 0 3 416.525 4.400 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000539293748 938835399 /nfs/dbraw/zinc/83/53/99/938835399.db2.gz XEFIJLZRMTVRKT-HFJQGTKSSA-N 0 3 409.555 4.244 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1C ZINC000539333900 938843449 /nfs/dbraw/zinc/84/34/49/938843449.db2.gz JKMCIGYVKKTRLR-GGAORHGYSA-N 0 3 405.542 4.308 20 30 HIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)o2)c1 ZINC000539763011 938928430 /nfs/dbraw/zinc/92/84/30/938928430.db2.gz FJRKDZBZJMONEB-LJQANCHMSA-N 0 3 417.517 4.154 20 30 HIEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)o2)c1 ZINC000539763011 938928433 /nfs/dbraw/zinc/92/84/33/938928433.db2.gz FJRKDZBZJMONEB-LJQANCHMSA-N 0 3 417.517 4.154 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1C ZINC000540342585 939200832 /nfs/dbraw/zinc/20/08/32/939200832.db2.gz XSSOMSCEDOVMMV-RUZDIDTESA-N 0 3 421.541 4.308 20 30 HIEDHN N#Cc1ccc(CNC(=O)CN[C@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC000540376165 939216052 /nfs/dbraw/zinc/21/60/52/939216052.db2.gz CZLKONBLHVPICI-NRFANRHFSA-N 0 3 412.331 4.068 20 30 HIEDHN N#Cc1ccc(-n2ccc(NC(=O)c3cccc(CN4CCCC4)c3)n2)c(Cl)c1 ZINC000541140790 939474618 /nfs/dbraw/zinc/47/46/18/939474618.db2.gz MWGSHYMKBCPDQF-UHFFFAOYSA-N 0 3 405.889 4.245 20 30 HIEDHN COCC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000541649320 939586955 /nfs/dbraw/zinc/58/69/55/939586955.db2.gz QROAELVNEQWOGA-KRWDZBQOSA-N 0 3 401.532 4.096 20 30 HIEDHN C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062048 939701708 /nfs/dbraw/zinc/70/17/08/939701708.db2.gz SWZADJDZZRVRQU-HXUWFJFHSA-N 0 3 417.553 4.438 20 30 HIEDHN COCC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000542578953 939845788 /nfs/dbraw/zinc/84/57/88/939845788.db2.gz NNLKQYWQCRJTPJ-SFHVURJKSA-N 0 3 415.559 4.486 20 30 HIEDHN C=CCn1c(SCCCN2CCN(C)CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000543743774 940173919 /nfs/dbraw/zinc/17/39/19/940173919.db2.gz KJMBUFZWZINFBO-UHFFFAOYSA-N 0 3 413.635 4.158 20 30 HIEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000544125635 940332710 /nfs/dbraw/zinc/33/27/10/940332710.db2.gz NIVLEVWTTRNYFU-RZPHLTDDSA-N 0 3 405.542 4.234 20 30 HIEDHN N#CC(C(=O)c1ccccc1OCc1ccc(Br)cc1)c1ccncn1 ZINC000545446284 940570268 /nfs/dbraw/zinc/57/02/68/940570268.db2.gz GGUYPOUENCFAOA-QGZVFWFLSA-N 0 3 408.255 4.308 20 30 HIEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC000551417355 941474790 /nfs/dbraw/zinc/47/47/90/941474790.db2.gz AWGXWBZKTSQCIX-OAQYLSRUSA-N 0 3 417.431 4.273 20 30 HIEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 ZINC000551721407 941533379 /nfs/dbraw/zinc/53/33/79/941533379.db2.gz STGGWVFZSGZUED-OAQYLSRUSA-N 0 3 417.431 4.273 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOc1ccc(F)cc1Cl ZINC000552300479 941626678 /nfs/dbraw/zinc/62/66/78/941626678.db2.gz JRPAAEAZGMKWCN-UHFFFAOYSA-N 0 3 424.973 4.456 20 30 HIEDHN CN(C(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1)[C@H]1CCCN(C)C1 ZINC000556338097 942844729 /nfs/dbraw/zinc/84/47/29/942844729.db2.gz UXDYUVRGJVKJQH-SFHVURJKSA-N 0 3 414.912 4.129 20 30 HIEDHN N#Cc1ccsc1NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000556514272 942889826 /nfs/dbraw/zinc/88/98/26/942889826.db2.gz ZTHAWGWODJNSDR-SFHVURJKSA-N 0 3 423.460 4.335 20 30 HIEDHN CN(C)CCn1nccc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000557907265 943325881 /nfs/dbraw/zinc/32/58/81/943325881.db2.gz PPEGHSJQLFGAHQ-UHFFFAOYSA-N 0 3 409.877 4.014 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 ZINC000559687401 944029212 /nfs/dbraw/zinc/02/92/12/944029212.db2.gz YJNAUIDEXDKJGX-LEWJYISDSA-N 0 3 417.538 4.172 20 30 HIEDHN N#CCc1ccc(OC[C@H](O)CN[C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160557 944488823 /nfs/dbraw/zinc/48/88/23/944488823.db2.gz IONKOOFFFZMGAV-PXDATVDWSA-N 0 3 404.485 4.205 20 30 HIEDHN C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000562024257 944899234 /nfs/dbraw/zinc/89/92/34/944899234.db2.gz GYTXIYATVSFLDH-QGZVFWFLSA-N 0 3 403.983 4.083 20 30 HIEDHN N#CC1(CCCN(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CCOCC1 ZINC000564152106 945402786 /nfs/dbraw/zinc/40/27/86/945402786.db2.gz MADLWELFTWEXCX-GOSISDBHSA-N 0 3 418.887 4.208 20 30 HIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)Nc3ccc(-c4ncon4)cc3)n2)cc1 ZINC000564239261 945454688 /nfs/dbraw/zinc/45/46/88/945454688.db2.gz ZCACULZEPRJTAZ-KRWDZBQOSA-N 0 3 401.451 4.414 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564393525 945552470 /nfs/dbraw/zinc/55/24/70/945552470.db2.gz NMXGGKLWEKFWFR-MONBJTKQSA-N 0 3 408.571 4.054 20 30 HIEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccccc1 ZINC000564440917 945589068 /nfs/dbraw/zinc/58/90/68/945589068.db2.gz HWJZOJGCVZKKKO-OAQYLSRUSA-N 0 3 415.497 4.040 20 30 HIEDHN N#CCCn1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccccc2)n1 ZINC000565730061 945872560 /nfs/dbraw/zinc/87/25/60/945872560.db2.gz MZKJYLPJATXYGT-UHFFFAOYSA-N 0 3 421.495 4.454 20 30 HIEDHN C=C(C)[C@H](CC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1)OCC ZINC000567393319 946323030 /nfs/dbraw/zinc/32/30/30/946323030.db2.gz BXXOHWHXGTZWSS-RPBOFIJWSA-N 0 3 421.585 4.446 20 30 HIEDHN C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1)OCC ZINC000567393317 946323649 /nfs/dbraw/zinc/32/36/49/946323649.db2.gz BXXOHWHXGTZWSS-JWQCQUIFSA-N 0 3 421.585 4.446 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402320 946868357 /nfs/dbraw/zinc/86/83/57/946868357.db2.gz UWQZMYMGRIKAEI-JXFKEZNVSA-N 0 3 407.470 4.182 20 30 HIEDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424902 946874607 /nfs/dbraw/zinc/87/46/07/946874607.db2.gz UOKMYCVMLGXSIE-YRNRMSPPSA-N 0 3 409.555 4.193 20 30 HIEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000570111967 947096244 /nfs/dbraw/zinc/09/62/44/947096244.db2.gz CKJBAQRVAKJRNW-HSZRJFAPSA-N 0 3 400.457 4.427 20 30 HIEDHN CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 ZINC000571453855 947655657 /nfs/dbraw/zinc/65/56/57/947655657.db2.gz IIGDZXXNPDBSAQ-QFIPXVFZSA-N 0 3 401.470 4.170 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000573591672 948244396 /nfs/dbraw/zinc/24/43/96/948244396.db2.gz SSJHMJIWESIUCD-HSZRJFAPSA-N 0 3 409.578 4.389 20 30 HIEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000574128048 948373424 /nfs/dbraw/zinc/37/34/24/948373424.db2.gz WBCFYRVLKNAEPG-UHFFFAOYSA-N 0 3 404.562 4.096 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000574551954 948470103 /nfs/dbraw/zinc/47/01/03/948470103.db2.gz NUYBPQVOCXKOCI-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN N#CCCn1cc(CN2CCC(OCC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000574985622 948569024 /nfs/dbraw/zinc/56/90/24/948569024.db2.gz LHKPCOJIVFSLNL-UHFFFAOYSA-N 0 3 407.562 4.420 20 30 HIEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164731175 720488173 /nfs/dbraw/zinc/48/81/73/720488173.db2.gz WJTVZCVJIDBCAO-PMACEKPBSA-N 0 3 403.917 4.317 20 30 HIEDHN Cc1c(Cl)c(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900529 721520774 /nfs/dbraw/zinc/52/07/74/721520774.db2.gz RVZVPCAJPAXLPE-HOCLYGCPSA-N 0 3 421.303 4.050 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000049795835 849329834 /nfs/dbraw/zinc/32/98/34/849329834.db2.gz RMHASWFMDTVOHE-INIZCTEOSA-N 0 3 418.463 4.411 20 30 HIEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000058451101 850828732 /nfs/dbraw/zinc/82/87/32/850828732.db2.gz PIPIUJXCWTXPGJ-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN N#Cc1c(NC(=O)CN2CCN(CC3CCCCC3)CC2)sc2c1CCCCC2 ZINC000060569156 851151109 /nfs/dbraw/zinc/15/11/09/851151109.db2.gz CFGMOCJFCOELRB-UHFFFAOYSA-N 0 3 414.619 4.025 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000065930276 852321168 /nfs/dbraw/zinc/32/11/68/852321168.db2.gz DORQJCQFKMBMEF-UHFFFAOYSA-N 0 3 400.526 4.076 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc2ccccc2c1 ZINC000065931189 852321654 /nfs/dbraw/zinc/32/16/54/852321654.db2.gz BUEQNUSYPDQAQK-UHFFFAOYSA-N 0 3 403.551 4.394 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000065950062 852331135 /nfs/dbraw/zinc/33/11/35/852331135.db2.gz AYZDYMVPCSGNBY-NRFANRHFSA-N 0 3 405.889 4.077 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccsc1 ZINC000072018694 852469170 /nfs/dbraw/zinc/46/91/70/852469170.db2.gz YQYRPVUCLQZVHB-LJQANCHMSA-N 0 3 416.616 4.231 20 30 HIEDHN COc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1OCCCC#N ZINC000147184654 853583834 /nfs/dbraw/zinc/58/38/34/853583834.db2.gz STHWQQQQPRQHRN-UHFFFAOYSA-N 0 3 407.514 4.184 20 30 HIEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(CN(C)C)c2)cc1C ZINC000150240115 853641655 /nfs/dbraw/zinc/64/16/55/853641655.db2.gz SUCZUWSKYFWDHK-UHFFFAOYSA-N 0 3 401.514 4.395 20 30 HIEDHN COc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1OC(F)F ZINC000195662694 853744330 /nfs/dbraw/zinc/74/43/30/853744330.db2.gz SUSHULIZEJDJLV-ZDUSSCGKSA-N 0 3 401.394 4.305 20 30 HIEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237606029 854060860 /nfs/dbraw/zinc/06/08/60/854060860.db2.gz LDDCCUFXQHUHQZ-QZTJIDSGSA-N 0 3 400.482 4.476 20 30 HIEDHN CN1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693240 854446318 /nfs/dbraw/zinc/44/63/18/854446318.db2.gz ZNQSMSZOMDKFSL-WBVHZDCISA-N 0 3 419.407 4.375 20 30 HIEDHN CN1CCC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693239 854446433 /nfs/dbraw/zinc/44/64/33/854446433.db2.gz ZNQSMSZOMDKFSL-RDJZCZTQSA-N 0 3 419.407 4.375 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000303028297 854729770 /nfs/dbraw/zinc/72/97/70/854729770.db2.gz PASQWRSTCNFFKR-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 ZINC000303283496 854851134 /nfs/dbraw/zinc/85/11/34/854851134.db2.gz FWUIDBRPMUKKCM-UHFFFAOYSA-N 0 3 406.530 4.409 20 30 HIEDHN C[C@H](c1ccc(Br)cc1)N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000410379416 855962695 /nfs/dbraw/zinc/96/26/95/855962695.db2.gz GFWQKAWZBCPXLN-GOSISDBHSA-N 0 3 420.395 4.228 20 30 HIEDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429235747 857568355 /nfs/dbraw/zinc/56/83/55/857568355.db2.gz RNDVEGZBKJIQHJ-UHFFFAOYSA-N 0 3 424.593 4.201 20 30 HIEDHN Cc1cccnc1OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000429704812 857842918 /nfs/dbraw/zinc/84/29/18/857842918.db2.gz XIJNQWHOBQRUNR-UHFFFAOYSA-N 0 3 424.570 4.074 20 30 HIEDHN N#CCCn1ncc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1-c1ccccc1 ZINC000429726109 857852547 /nfs/dbraw/zinc/85/25/47/857852547.db2.gz QHIAUXKFLCQDMU-HXUWFJFHSA-N 0 3 419.554 4.092 20 30 HIEDHN COc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)cc1OC ZINC000430177528 858067627 /nfs/dbraw/zinc/06/76/27/858067627.db2.gz MQHSDXXAZABXPH-NRFANRHFSA-N 0 3 415.493 4.291 20 30 HIEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)nc1 ZINC000430185466 858072424 /nfs/dbraw/zinc/07/24/24/858072424.db2.gz HOBIUTZUBZUXDP-XMMPIXPASA-N 0 3 410.477 4.057 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430562428 858218876 /nfs/dbraw/zinc/21/88/76/858218876.db2.gz DMOQNYNPWLJILK-SFHVURJKSA-N 0 3 410.331 4.085 20 30 HIEDHN C=CCC[C@H](N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708898 858274790 /nfs/dbraw/zinc/27/47/90/858274790.db2.gz VIMAZVVHNZYAES-KDOFPFPSSA-N 0 3 423.376 4.455 20 30 HIEDHN Cc1cnc(C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)s1 ZINC000433149228 859541734 /nfs/dbraw/zinc/54/17/34/859541734.db2.gz IJKUOYGAICFSAC-UHFFFAOYSA-N 0 3 414.600 4.472 20 30 HIEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c(C(F)(F)F)c1 ZINC000433328675 859645371 /nfs/dbraw/zinc/64/53/71/859645371.db2.gz WSASCGYBKGIVQS-UHFFFAOYSA-N 0 3 415.419 4.176 20 30 HIEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 ZINC000467690246 881483428 /nfs/dbraw/zinc/48/34/28/881483428.db2.gz COCQLABXQKSCOL-GCJKJVERSA-N 0 3 412.493 4.138 20 30 HIEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000435131678 860656040 /nfs/dbraw/zinc/65/60/40/860656040.db2.gz DVKBMDFQJIAHIT-UHFFFAOYSA-N 0 3 415.419 4.389 20 30 HIEDHN C=CCC[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000435766357 861043428 /nfs/dbraw/zinc/04/34/28/861043428.db2.gz WYIDIEHAZKIIJC-XMMPIXPASA-N 0 3 407.558 4.150 20 30 HIEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438644311 864083100 /nfs/dbraw/zinc/08/31/00/864083100.db2.gz HXWZGVNTSDQKBV-UHFFFAOYSA-N 0 3 404.539 4.139 20 30 HIEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)CC1 ZINC000438814222 864305393 /nfs/dbraw/zinc/30/53/93/864305393.db2.gz WFGRPYDCWGOMKI-GOSISDBHSA-N 0 3 423.582 4.245 20 30 HIEDHN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000441487665 866568795 /nfs/dbraw/zinc/56/87/95/866568795.db2.gz FWGSOLQBYIZEEM-QHCPKHFHSA-N 0 3 415.541 4.485 20 30 HIEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000443913738 868448203 /nfs/dbraw/zinc/44/82/03/868448203.db2.gz BRWVWAVTDVENOL-UHFFFAOYSA-N 0 3 412.509 4.328 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1C ZINC000463195172 876254838 /nfs/dbraw/zinc/25/48/38/876254838.db2.gz VUCFLCSLHYDWHO-KXHCOYLBSA-N 0 3 411.590 4.202 20 30 HIEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000464746847 877980687 /nfs/dbraw/zinc/98/06/87/877980687.db2.gz HBNDDEPLVZYTJV-WOJBJXKFSA-N 0 3 421.541 4.278 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000464812058 878063661 /nfs/dbraw/zinc/06/36/61/878063661.db2.gz DRPDEROPLBDOBS-UHFFFAOYSA-N 0 3 408.276 4.044 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000466168014 879870263 /nfs/dbraw/zinc/87/02/63/879870263.db2.gz KQMVBWPHSKAEHB-UHFFFAOYSA-N 0 3 423.948 4.009 20 30 HIEDHN Cn1cccc(C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1=O ZINC000503521377 912570213 /nfs/dbraw/zinc/57/02/13/912570213.db2.gz NVUJUSKPHYATDA-CYBMUJFWSA-N 0 3 404.278 4.306 20 30 HIEDHN CC(C)(C)OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000469295997 883392509 /nfs/dbraw/zinc/39/25/09/883392509.db2.gz RHCYLTUPIUDPID-UHFFFAOYSA-N 0 3 403.592 4.497 20 30 HIEDHN CC(C)Oc1ccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1C#N ZINC000469922578 884114519 /nfs/dbraw/zinc/11/45/19/884114519.db2.gz CGJWDPWNSGFIPH-UHFFFAOYSA-N 0 3 424.467 4.272 20 30 HIEDHN Cc1cc(Br)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000503692938 912800029 /nfs/dbraw/zinc/80/00/29/912800029.db2.gz WVQWHPANXBZSDD-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)Cc2ccccc2Br)CC1 ZINC000470058270 884306484 /nfs/dbraw/zinc/30/64/84/884306484.db2.gz UZQNXLRIPCDAIS-QGZVFWFLSA-N 0 3 408.384 4.110 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000470058269 884306601 /nfs/dbraw/zinc/30/66/01/884306601.db2.gz UZQNXLRIPCDAIS-KRWDZBQOSA-N 0 3 408.384 4.110 20 30 HIEDHN Cc1cc([C@@H]2CCCN2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)on1 ZINC000472438321 887287143 /nfs/dbraw/zinc/28/71/43/887287143.db2.gz GTULCZMZSLKTKW-FQEVSTJZSA-N 0 3 421.501 4.080 20 30 HIEDHN Cc1ccc(C)c(-n2cnc3cc(C(=O)C(C#N)c4nnc5n4CCCCC5)ccc32)c1 ZINC000472511692 887378807 /nfs/dbraw/zinc/37/88/07/887378807.db2.gz AYJHSOQGWIDLHE-LJQANCHMSA-N 0 3 424.508 4.450 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000474875956 889730408 /nfs/dbraw/zinc/73/04/08/889730408.db2.gz GSLONBBXXAQXLM-UHFFFAOYSA-N 0 3 421.541 4.164 20 30 HIEDHN N#Cc1ccc(CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C2CC2)cc1 ZINC000504839499 913562081 /nfs/dbraw/zinc/56/20/81/913562081.db2.gz BQOPSMROFKGGET-QFIPXVFZSA-N 0 3 409.480 4.207 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000477461510 892426510 /nfs/dbraw/zinc/42/65/10/892426510.db2.gz HASXZJJWXKPQPG-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN Cn1cc(CNCc2ccc(NC(=O)c3ccco3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479978277 895330877 /nfs/dbraw/zinc/33/08/77/895330877.db2.gz JURSQRQQVKYBSW-UHFFFAOYSA-N 0 3 411.465 4.094 20 30 HIEDHN Cn1cc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1C#N ZINC000480363446 895770342 /nfs/dbraw/zinc/77/03/42/895770342.db2.gz OWAJJYKMCZTLRC-UHFFFAOYSA-N 0 3 401.510 4.271 20 30 HIEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000480366582 895773211 /nfs/dbraw/zinc/77/32/11/895773211.db2.gz MRHMQNCRSULRBO-UHFFFAOYSA-N 0 3 414.941 4.127 20 30 HIEDHN COc1cc(I)c(Cl)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000482004307 897400923 /nfs/dbraw/zinc/40/09/23/897400923.db2.gz VWZSIFPOEVZNRK-CMPLNLGQSA-N 0 3 404.679 4.125 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000505542537 914239117 /nfs/dbraw/zinc/23/91/17/914239117.db2.gz JXBUNAGEXIINCJ-UHFFFAOYSA-N 0 3 405.527 4.277 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000505552346 914256438 /nfs/dbraw/zinc/25/64/38/914256438.db2.gz YTRUAORKISSNRJ-UHFFFAOYSA-N 0 3 419.554 4.201 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000483503262 899163213 /nfs/dbraw/zinc/16/32/13/899163213.db2.gz LUFYOUWEZXNUNL-UHFFFAOYSA-N 0 3 410.493 4.224 20 30 HIEDHN C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](c1ccccc1)N(C)C ZINC000505636357 914336853 /nfs/dbraw/zinc/33/68/53/914336853.db2.gz OZRTXOLAZZTBEU-UZUQRXQVSA-N 0 3 400.482 4.167 20 30 HIEDHN CSc1cccc(N(C(=O)[C@H](C)Oc2ccccc2C#N)C2CCN(C)CC2)c1 ZINC000484299897 899861585 /nfs/dbraw/zinc/86/15/85/899861585.db2.gz ZACZADVMGQBCEY-KRWDZBQOSA-N 0 3 409.555 4.175 20 30 HIEDHN C=CCSc1ccccc1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000486227602 901410583 /nfs/dbraw/zinc/41/05/83/901410583.db2.gz HKGFLXVYIQNFDE-UHFFFAOYSA-N 0 3 414.546 4.377 20 30 HIEDHN C=CCOc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1OC ZINC000486447119 901605415 /nfs/dbraw/zinc/60/54/15/901605415.db2.gz DSPBYDHJAMLSMU-NTKDMRAZSA-N 0 3 409.530 4.149 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)CC1 ZINC000487238859 902110847 /nfs/dbraw/zinc/11/08/47/902110847.db2.gz CVWAAXLVPBDJGM-GOSISDBHSA-N 0 3 407.396 4.421 20 30 HIEDHN C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H](c1ccccc1)N(C)C ZINC000487997347 902519976 /nfs/dbraw/zinc/51/99/76/902519976.db2.gz VXBHSOQHOWWXSK-SCLBCKFNSA-N 0 3 401.308 4.134 20 30 HIEDHN C[C@@H]1C[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489076 902851876 /nfs/dbraw/zinc/85/18/76/902851876.db2.gz AEAOQAQPVNBQLI-VOBQZIQPSA-N 0 3 424.342 4.260 20 30 HIEDHN CCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000491195320 904477299 /nfs/dbraw/zinc/47/72/99/904477299.db2.gz UPLVDQJIDMDOFY-OAQYLSRUSA-N 0 3 402.498 4.011 20 30 HIEDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489198 905773006 /nfs/dbraw/zinc/77/30/06/905773006.db2.gz CGVDJHRKVOJTQH-JHVJFLLYSA-N 0 3 415.896 4.234 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H](OCC3CC3)C2)sc2c1CCCCC2 ZINC000494714252 905916643 /nfs/dbraw/zinc/91/66/43/905916643.db2.gz WKAUNIMHAPAYES-QGZVFWFLSA-N 0 3 401.576 4.108 20 30 HIEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495008245 906169713 /nfs/dbraw/zinc/16/97/13/906169713.db2.gz XCHURQNCMYBWKW-GHDARCQNSA-N 0 3 424.589 4.009 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)c1 ZINC000512585107 921249854 /nfs/dbraw/zinc/24/98/54/921249854.db2.gz BELBRHYPJFHZSK-UHFFFAOYSA-N 0 3 417.431 4.350 20 30 HIEDHN COc1ccc(CC[C@@H]2CCCCN2Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000512632989 921268620 /nfs/dbraw/zinc/26/86/20/921268620.db2.gz KERPUAOZCKDNBV-FQEVSTJZSA-N 0 3 404.514 4.210 20 30 HIEDHN C=CCOc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC ZINC000512685344 921286448 /nfs/dbraw/zinc/28/64/48/921286448.db2.gz BOYLMBCZJJIPKG-UHFFFAOYSA-N 0 3 408.542 4.097 20 30 HIEDHN CCOC(=O)c1c(NC(=O)c2sccc2C#N)sc2c1CC(C)(C)NC2(C)C ZINC000497991769 907468745 /nfs/dbraw/zinc/46/87/45/907468745.db2.gz RNMAYGSBQQKQHR-UHFFFAOYSA-N 0 3 417.556 4.270 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000512841040 921344212 /nfs/dbraw/zinc/34/42/12/921344212.db2.gz PYATTXMQFIDQHO-SFHVURJKSA-N 0 3 422.422 4.163 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000499629775 908861401 /nfs/dbraw/zinc/86/14/01/908861401.db2.gz AFGFTWMCHASKOS-MRXNPFEDSA-N 0 3 414.347 4.015 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1OC ZINC000513037612 921496188 /nfs/dbraw/zinc/49/61/88/921496188.db2.gz UIHWJGUCAQYNJZ-NRFANRHFSA-N 0 3 408.542 4.292 20 30 HIEDHN C=CCOc1cccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501695835 910765972 /nfs/dbraw/zinc/76/59/72/910765972.db2.gz IHHBYMNEKGGTRF-FQEVSTJZSA-N 0 3 408.546 4.483 20 30 HIEDHN C=CCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000501765080 910820688 /nfs/dbraw/zinc/82/06/88/910820688.db2.gz AHJWPPNUHJFGIT-HXUWFJFHSA-N 0 3 408.546 4.483 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(CCOc3ccccc3C(F)(F)F)CC2)c1 ZINC000502180368 911107319 /nfs/dbraw/zinc/10/73/19/911107319.db2.gz WURVNQRSLRXTTB-UHFFFAOYSA-N 0 3 417.431 4.307 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000502296320 911254572 /nfs/dbraw/zinc/25/45/72/911254572.db2.gz XMKQHAKYTROZFJ-JOCHJYFZSA-N 0 3 412.965 4.359 20 30 HIEDHN COC(=O)c1cc(C(C)C)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000506830077 915602017 /nfs/dbraw/zinc/60/20/17/915602017.db2.gz BKRILPIUIIEDLG-UHFFFAOYSA-N 0 3 422.529 4.064 20 30 HIEDHN C=CCc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000507096294 915867565 /nfs/dbraw/zinc/86/75/65/915867565.db2.gz CKEXVABGOHZPKR-UHFFFAOYSA-N 0 3 422.569 4.213 20 30 HIEDHN CCOc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC000507140289 915886112 /nfs/dbraw/zinc/88/61/12/915886112.db2.gz BZSVVHSIYPGVPH-LJQANCHMSA-N 0 3 423.557 4.223 20 30 HIEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424210 916194662 /nfs/dbraw/zinc/19/46/62/916194662.db2.gz TVSHAOXNJJTBIJ-YWZLYKJASA-N 0 3 417.538 4.231 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)ccc1OC ZINC000507998154 916839847 /nfs/dbraw/zinc/83/98/47/916839847.db2.gz KEEUKXICLJYERS-FQEVSTJZSA-N 0 3 409.530 4.204 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000508159021 916980061 /nfs/dbraw/zinc/98/00/61/916980061.db2.gz DQWWYCNTJCPAQE-SFHVURJKSA-N 0 3 410.484 4.424 20 30 HIEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000508272600 917090708 /nfs/dbraw/zinc/09/07/08/917090708.db2.gz IDCWVRAIYNQQLD-UHFFFAOYSA-N 0 3 420.513 4.451 20 30 HIEDHN C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000508499144 917284179 /nfs/dbraw/zinc/28/41/79/917284179.db2.gz XNCHRZORDWXURT-ILWGZMRPSA-N 0 3 409.578 4.053 20 30 HIEDHN CCN(Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605127 917374584 /nfs/dbraw/zinc/37/45/84/917374584.db2.gz PVSRSNZTMZKKJR-IBGZPJMESA-N 0 3 421.541 4.151 20 30 HIEDHN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000509500972 918146979 /nfs/dbraw/zinc/14/69/79/918146979.db2.gz BXWMVAKRXIVCJX-MAUKXSAKSA-N 0 3 406.555 4.118 20 30 HIEDHN C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000509518531 918168737 /nfs/dbraw/zinc/16/87/37/918168737.db2.gz GHNGAAMRVRRJKH-UHFFFAOYSA-N 0 3 400.906 4.461 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000509599246 918250443 /nfs/dbraw/zinc/25/04/43/918250443.db2.gz IGRVIVCGLFQWCV-OXJNMPFZSA-N 0 3 405.468 4.220 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1=CCN(C)CC1 ZINC000511266707 919864724 /nfs/dbraw/zinc/86/47/24/919864724.db2.gz GGGHTTHQMHTZKS-GOSISDBHSA-N 0 3 404.514 4.104 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN[C@H]3CCCN(c4ccccc4)C3=O)c2)c1 ZINC000512234878 920990652 /nfs/dbraw/zinc/99/06/52/920990652.db2.gz UPYRBUKKRUCUFQ-VWLOTQADSA-N 0 3 411.505 4.422 20 30 HIEDHN N#Cc1ccc(N2CCC(N[C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000513659304 921981571 /nfs/dbraw/zinc/98/15/71/921981571.db2.gz BHRIYFAPXYXVDH-VWLOTQADSA-N 0 3 410.521 4.497 20 30 HIEDHN C=CCc1cc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000514217683 922552936 /nfs/dbraw/zinc/55/29/36/922552936.db2.gz FCNWSIJYQXLONB-JOCHJYFZSA-N 0 3 423.557 4.069 20 30 HIEDHN CC1CCN([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000515981515 923476492 /nfs/dbraw/zinc/47/64/92/923476492.db2.gz XUWJJVNBLXJDTB-HSZRJFAPSA-N 0 3 407.583 4.381 20 30 HIEDHN N#Cc1ccc(Oc2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2)nc1 ZINC000517656670 926763904 /nfs/dbraw/zinc/76/39/04/926763904.db2.gz PAFZJDNDNGHJRZ-UHFFFAOYSA-N 0 3 404.514 4.084 20 30 HIEDHN N#CCCSc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000518362716 927222368 /nfs/dbraw/zinc/22/23/68/927222368.db2.gz VNTSVIYIOFKFIT-UHFFFAOYSA-N 0 3 408.571 4.233 20 30 HIEDHN C=C(C)COc1cc(CN[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1OC ZINC000520227074 928400024 /nfs/dbraw/zinc/40/00/24/928400024.db2.gz CTVOGHDSJGHUTA-QGZVFWFLSA-N 0 3 400.906 4.199 20 30 HIEDHN C/C(=C/c1cccc(C(F)(F)F)c1)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649144 928699767 /nfs/dbraw/zinc/69/97/67/928699767.db2.gz XVKGVOKOBFSFBE-NRFGWYQLSA-N 0 3 413.443 4.371 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CC1 ZINC000520697043 928743601 /nfs/dbraw/zinc/74/36/01/928743601.db2.gz ZCUGOBOWDROIMC-UHFFFAOYSA-N 0 3 400.567 4.111 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000521573864 929305516 /nfs/dbraw/zinc/30/55/16/929305516.db2.gz VFJKRGGETFNBSA-UHFFFAOYSA-N 0 3 411.527 4.435 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000521593551 929315858 /nfs/dbraw/zinc/31/58/58/929315858.db2.gz JAYLYSUZKKSUEZ-UHFFFAOYSA-N 0 3 423.557 4.114 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCCC[C@H]1CC(C)C ZINC000524908545 929884005 /nfs/dbraw/zinc/88/40/05/929884005.db2.gz YRTQXLCTWMTVJX-FQEVSTJZSA-N 0 3 402.583 4.242 20 30 HIEDHN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000525409576 930223270 /nfs/dbraw/zinc/22/32/70/930223270.db2.gz DOJMYTDVCYVSJH-NRSPTQNISA-N 0 3 403.954 4.112 20 30 HIEDHN COCCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000530628099 930777735 /nfs/dbraw/zinc/77/77/35/930777735.db2.gz PYYGPRVQNRNIKU-UHFFFAOYSA-N 0 3 408.477 4.137 20 30 HIEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN([C@H](C)C2CC2)C2CC2)c1C#N ZINC000532489365 931458059 /nfs/dbraw/zinc/45/80/59/931458059.db2.gz GQBNBTUWKSZTRA-QGZVFWFLSA-N 0 3 408.521 4.365 20 30 HIEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000532690172 931585782 /nfs/dbraw/zinc/58/57/82/931585782.db2.gz HEUZOSKZSAJKSQ-NRFANRHFSA-N 0 3 409.533 4.437 20 30 HIEDHN COc1cc(CN(CCO)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000533271638 931824819 /nfs/dbraw/zinc/82/48/19/931824819.db2.gz IVNDAMYAXPDTKF-UHFFFAOYSA-N 0 3 402.494 4.140 20 30 HIEDHN COc1ccc(C(=O)Nc2cccc(OCCNCc3ccc(C#N)cc3F)c2)cc1 ZINC000533446102 931871895 /nfs/dbraw/zinc/87/18/95/931871895.db2.gz CAFWDEWLKOEFRV-UHFFFAOYSA-N 0 3 419.456 4.127 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000534524852 932546128 /nfs/dbraw/zinc/54/61/28/932546128.db2.gz FJLIXWMNGUFRJX-DEOSSOPVSA-N 0 3 413.521 4.040 20 30 HIEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000534537607 932550669 /nfs/dbraw/zinc/55/06/69/932550669.db2.gz KMCIHJMDIFEJSY-LJQANCHMSA-N 0 3 406.939 4.061 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@]2(C)CCCc3ccccc32)c1C#N ZINC000537596300 938331240 /nfs/dbraw/zinc/33/12/40/938331240.db2.gz HUWUWOKOIDOTNN-VWLOTQADSA-N 0 3 416.525 4.398 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176516 938538431 /nfs/dbraw/zinc/53/84/31/938538431.db2.gz TWESIHHFWBYJPA-QFBILLFUSA-N 0 3 400.544 4.163 20 30 HIEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000538178093 938539432 /nfs/dbraw/zinc/53/94/32/938539432.db2.gz QPTRUADUUNHZNS-HSZRJFAPSA-N 0 3 403.457 4.218 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000538191351 938546450 /nfs/dbraw/zinc/54/64/50/938546450.db2.gz SPBNQOXIUUBZJJ-FHJLPGHOSA-N 0 3 409.555 4.387 20 30 HIEDHN C=CCC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000538231886 938566534 /nfs/dbraw/zinc/56/65/34/938566534.db2.gz YMINANAEWJFUJZ-HXUWFJFHSA-N 0 3 401.432 4.490 20 30 HIEDHN N#Cc1ccc(N2CCC[C@H](NCc3cccc(COCc4ccco4)c3)C2=O)cc1 ZINC000538706641 938687119 /nfs/dbraw/zinc/68/71/19/938687119.db2.gz IMGOEZOEKGHOCW-DEOSSOPVSA-N 0 3 415.493 4.153 20 30 HIEDHN N#CCCn1cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000538760686 938704214 /nfs/dbraw/zinc/70/42/14/938704214.db2.gz FETDWSDQMHXYHA-LJQANCHMSA-N 0 3 402.502 4.104 20 30 HIEDHN N#Cc1ccc(CC(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)cc1 ZINC000538922140 938738305 /nfs/dbraw/zinc/73/83/05/938738305.db2.gz KOFCDZCYDIPOGQ-UHFFFAOYSA-N 0 3 424.548 4.104 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339274 938844610 /nfs/dbraw/zinc/84/46/10/938844610.db2.gz PNFSKRQAPATFIC-RTWAWAEBSA-N 0 3 415.541 4.475 20 30 HIEDHN Cc1ccc(S(=O)(=O)NC[C@@H](NCCCC(C)(C)C#N)c2ccccc2)c(C)c1 ZINC000539356760 938847643 /nfs/dbraw/zinc/84/76/43/938847643.db2.gz LEPYNOVBZFGUPK-OAQYLSRUSA-N 0 3 413.587 4.243 20 30 HIEDHN COc1ccccc1[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000540609240 939318710 /nfs/dbraw/zinc/31/87/10/939318710.db2.gz ZAJZEZHYHOEIAD-AREMUKBSSA-N 0 3 412.537 4.305 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024835 939433497 /nfs/dbraw/zinc/43/34/97/939433497.db2.gz SFCSCGOQFKZTOW-MSOLQXFVSA-N 0 3 408.571 4.496 20 30 HIEDHN CC[C@@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1c(C)noc1C ZINC000542579390 939845735 /nfs/dbraw/zinc/84/57/35/939845735.db2.gz XMBWPQXBIHBXLL-HXUWFJFHSA-N 0 3 423.517 4.292 20 30 HIEDHN CCN(CC)C(=O)Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542830722 939861718 /nfs/dbraw/zinc/86/17/18/939861718.db2.gz NBKCYACPAQJUSR-UHFFFAOYSA-N 0 3 404.558 4.046 20 30 HIEDHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000543074160 939926375 /nfs/dbraw/zinc/92/63/75/939926375.db2.gz MBCDAALDPNKOHF-VGOFRKELSA-N 0 3 404.514 4.387 20 30 HIEDHN C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872560 940219627 /nfs/dbraw/zinc/21/96/27/940219627.db2.gz CAUQQSAYSNDFBP-GOSISDBHSA-N 0 3 419.550 4.326 20 30 HIEDHN N#CC(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncn1 ZINC000544814763 940516777 /nfs/dbraw/zinc/51/67/77/940516777.db2.gz HIFSMTZXSLFXBN-OAHLLOKOSA-N 0 3 407.817 4.140 20 30 HIEDHN N#CC(C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncn1 ZINC000544814762 940516878 /nfs/dbraw/zinc/51/68/78/940516878.db2.gz HIFSMTZXSLFXBN-HNNXBMFYSA-N 0 3 407.817 4.140 20 30 HIEDHN N#CC(C(=O)c1ccc(COc2ccccc2Br)cc1)c1ccncn1 ZINC000545447055 940570388 /nfs/dbraw/zinc/57/03/88/940570388.db2.gz CECPJWHPKIBALC-INIZCTEOSA-N 0 3 408.255 4.308 20 30 HIEDHN C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 ZINC000546362708 940801855 /nfs/dbraw/zinc/80/18/55/940801855.db2.gz IXJMPSMEZFHAKJ-HXUWFJFHSA-N 0 3 420.488 4.171 20 30 HIEDHN COc1ccc(OC2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000548773278 941123245 /nfs/dbraw/zinc/12/32/45/941123245.db2.gz KSDYCPSSEUVHHS-UHFFFAOYSA-N 0 3 402.498 4.011 20 30 HIEDHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549326467 941180208 /nfs/dbraw/zinc/18/02/08/941180208.db2.gz PNYNZQZDMKGROM-BGYRXZFFSA-N 0 3 415.626 4.228 20 30 HIEDHN CCN1CC[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549468466 941192915 /nfs/dbraw/zinc/19/29/15/941192915.db2.gz LGRYPXOEFYMLAD-PUCZYUMASA-N 0 3 414.912 4.103 20 30 HIEDHN CCN1CC[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549468467 941192979 /nfs/dbraw/zinc/19/29/79/941192979.db2.gz LGRYPXOEFYMLAD-SZFUDVHCSA-N 0 3 414.912 4.103 20 30 HIEDHN N#CCCn1cc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccncc2)n1 ZINC000549825447 941208719 /nfs/dbraw/zinc/20/87/19/941208719.db2.gz QYXUADUJSDBZTF-GOSISDBHSA-N 0 3 403.452 4.413 20 30 HIEDHN N#CCC[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386034 941877630 /nfs/dbraw/zinc/87/76/30/941877630.db2.gz NEDAQLRKXRQZJO-AEFFLSMTSA-N 0 3 423.738 4.477 20 30 HIEDHN CN(C)Cc1ccccc1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557409675 943110114 /nfs/dbraw/zinc/11/01/14/943110114.db2.gz HYUHXMWEGMYHSU-UHFFFAOYSA-N 0 3 424.976 4.196 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501253 943578040 /nfs/dbraw/zinc/57/80/40/943578040.db2.gz JVLPIWCCMILMFD-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN Cc1cc(Br)cn2cc(CNC3CCN(c4ccc(C#N)cc4)CC3)nc12 ZINC000560547892 944249903 /nfs/dbraw/zinc/24/99/03/944249903.db2.gz GYRDLVJFCPEZOV-UHFFFAOYSA-N 0 3 424.346 4.036 20 30 HIEDHN N#CCc1ccc(OC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160558 944489100 /nfs/dbraw/zinc/48/91/00/944489100.db2.gz IONKOOFFFZMGAV-SQJMNOBHSA-N 0 3 404.485 4.205 20 30 HIEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000562109031 944944663 /nfs/dbraw/zinc/94/46/63/944944663.db2.gz MYNVYPMIMIUQBH-UHFFFAOYSA-N 0 3 407.518 4.475 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000564395089 945552831 /nfs/dbraw/zinc/55/28/31/945552831.db2.gz IOYPUNJLFHSYPE-UPVQGACJSA-N 0 3 424.976 4.239 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615923 945855453 /nfs/dbraw/zinc/85/54/53/945855453.db2.gz ZXOHDZGDWLVJQO-SBUREZEXSA-N 0 3 411.571 4.317 20 30 HIEDHN C[C@@H]1CN(Cc2cccc(CNCc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973011 947058241 /nfs/dbraw/zinc/05/82/41/947058241.db2.gz SSNRNCVSPMYUAL-MRXNPFEDSA-N 0 3 403.448 4.088 20 30 HIEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000570111968 947095984 /nfs/dbraw/zinc/09/59/84/947095984.db2.gz CKJBAQRVAKJRNW-QHCPKHFHSA-N 0 3 400.457 4.427 20 30 HIEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903123 721555212 /nfs/dbraw/zinc/55/52/12/721555212.db2.gz ARZMSLQVLCPVMZ-ICSRJNTNSA-N 0 3 420.513 4.163 20 30 HIEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164904739 721563602 /nfs/dbraw/zinc/56/36/02/721563602.db2.gz FLIPNTITNFIPSL-ICSRJNTNSA-N 0 3 422.891 4.241 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000436332663 861637117 /nfs/dbraw/zinc/63/71/17/861637117.db2.gz PLLQEKCDZCJDJX-JRFVFWCSSA-N 0 3 405.517 4.336 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1OC(F)(F)F ZINC000025534487 846994438 /nfs/dbraw/zinc/99/44/38/846994438.db2.gz NMNHBRJODFAORO-UHFFFAOYSA-N 0 3 423.460 4.468 20 30 HIEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000051407133 849465946 /nfs/dbraw/zinc/46/59/46/849465946.db2.gz WNKCZAGAJXRJAN-FQEVSTJZSA-N 0 3 404.432 4.176 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1Cl ZINC000060575846 851153320 /nfs/dbraw/zinc/15/33/20/851153320.db2.gz YETYGCMOUURQAT-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000065930500 852321096 /nfs/dbraw/zinc/32/10/96/852321096.db2.gz BLZAMYBHSLLWFA-UHFFFAOYSA-N 0 3 416.525 4.126 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437220527 862412716 /nfs/dbraw/zinc/41/27/16/862412716.db2.gz YWPQUZRSCWVSHV-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN C[C@H]1CN(CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000110451895 853101247 /nfs/dbraw/zinc/10/12/47/853101247.db2.gz LUFNODCJEJCMPW-PMACEKPBSA-N 0 3 417.553 4.187 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc3cc(Br)ccc32)CC1 ZINC000303303160 854861198 /nfs/dbraw/zinc/86/11/98/854861198.db2.gz QHYHZRZVYFZYCZ-UHFFFAOYSA-N 0 3 402.336 4.076 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CCS[C@H](C)[C@H]2c2ccccc2)c(OC)c1 ZINC000303740033 855165136 /nfs/dbraw/zinc/16/51/36/855165136.db2.gz YUECUFZMDKJVCH-JLGINSKQSA-N 0 3 413.583 4.342 20 30 HIEDHN COc1cc(C#N)ccc1OCCN(Cc1cccc(Br)c1)C1CC1 ZINC000303799306 855204480 /nfs/dbraw/zinc/20/44/80/855204480.db2.gz GMGMTFTWCOFREQ-UHFFFAOYSA-N 0 3 401.304 4.373 20 30 HIEDHN N#Cc1ccc(OCc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000409663834 855591370 /nfs/dbraw/zinc/59/13/70/855591370.db2.gz GWQGSKTZYLVXMD-UHFFFAOYSA-N 0 3 415.493 4.125 20 30 HIEDHN CCOC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C)c1C ZINC000428373008 857181377 /nfs/dbraw/zinc/18/13/77/857181377.db2.gz JXQOGZFWEKLJKE-XMMPIXPASA-N 0 3 405.542 4.034 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289011 857592236 /nfs/dbraw/zinc/59/22/36/857592236.db2.gz BONBYUGAUIJKQV-WSXQUGQNSA-N 0 3 406.368 4.105 20 30 HIEDHN C=CCn1c(SC[C@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccoc1C ZINC000430124062 858042035 /nfs/dbraw/zinc/04/20/35/858042035.db2.gz RMKUQFWULPOSAG-HXUWFJFHSA-N 0 3 424.570 4.416 20 30 HIEDHN COc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)cc1OC ZINC000430177531 858067672 /nfs/dbraw/zinc/06/76/72/858067672.db2.gz MQHSDXXAZABXPH-OAQYLSRUSA-N 0 3 415.493 4.291 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034285 859492142 /nfs/dbraw/zinc/49/21/42/859492142.db2.gz XWCPZBYABJIYNY-UNMCSNQZSA-N 0 3 404.539 4.373 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(OCC(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433303809 859627891 /nfs/dbraw/zinc/62/78/91/859627891.db2.gz JDGTZIGLPJHGAX-UHFFFAOYSA-N 0 3 415.419 4.090 20 30 HIEDHN N#CCCn1cc(CNCc2cccc(OCC(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000433327845 859645132 /nfs/dbraw/zinc/64/51/32/859645132.db2.gz BCPDMCUXCZALJR-UHFFFAOYSA-N 0 3 415.419 4.090 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)CC1 ZINC000433746986 859872019 /nfs/dbraw/zinc/87/20/19/859872019.db2.gz JSPCIQAYGLOQPQ-UHFFFAOYSA-N 0 3 402.445 4.314 20 30 HIEDHN N#CCCn1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435124287 860652123 /nfs/dbraw/zinc/65/21/23/860652123.db2.gz NVMMIWXQSGULEN-QHCPKHFHSA-N 0 3 401.514 4.040 20 30 HIEDHN N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)cc2Cl)c1 ZINC000437963521 863335250 /nfs/dbraw/zinc/33/52/50/863335250.db2.gz OUAWUANICCRPCL-HXUWFJFHSA-N 0 3 422.916 4.269 20 30 HIEDHN CCCc1c(NC(=O)NC[C@H](c2ccccc2)N(C)C)cnn1-c1cccc(C#N)c1 ZINC000439664332 864994698 /nfs/dbraw/zinc/99/46/98/864994698.db2.gz NZLNVMMEWMZIGX-HSZRJFAPSA-N 0 3 416.529 4.121 20 30 HIEDHN COc1cccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N2CCCC2)c1 ZINC000440216457 865454670 /nfs/dbraw/zinc/45/46/70/865454670.db2.gz OVTAHXZJXCTKIU-GOTSBHOMSA-N 0 3 406.530 4.176 20 30 HIEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442180955 867203286 /nfs/dbraw/zinc/20/32/86/867203286.db2.gz JSCVYINXVUPKEM-UHFFFAOYSA-N 0 3 406.408 4.053 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC1CCC(C#N)CC1 ZINC000442724780 867651028 /nfs/dbraw/zinc/65/10/28/867651028.db2.gz SEUOZSANTVMQLU-UHFFFAOYSA-N 0 3 410.484 4.109 20 30 HIEDHN Cc1c([C@H](C)NCC2CCC(C#N)CC2)nnn1-c1cccc(Br)c1 ZINC000442866210 867705005 /nfs/dbraw/zinc/70/50/05/867705005.db2.gz KLXLRNBLEHMBNE-JEYLPNPQSA-N 0 3 402.340 4.319 20 30 HIEDHN COc1cc(C#N)ccc1OCCN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445881873 869870482 /nfs/dbraw/zinc/87/04/82/869870482.db2.gz WTTXVJAFCWQWQH-KRWDZBQOSA-N 0 3 417.303 4.164 20 30 HIEDHN CCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460316229 872902930 /nfs/dbraw/zinc/90/29/30/872902930.db2.gz ZXTFWEOBUIYUMB-UHFFFAOYSA-N 0 3 420.948 4.202 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460935815 873836670 /nfs/dbraw/zinc/83/66/70/873836670.db2.gz WXRPMBKXCHTHIP-WOJBJXKFSA-N 0 3 402.546 4.015 20 30 HIEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462237498 875350063 /nfs/dbraw/zinc/35/00/63/875350063.db2.gz LODOMZQGYXRXRR-CVDCTZTESA-N 0 3 413.525 4.252 20 30 HIEDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000468934496 882999174 /nfs/dbraw/zinc/99/91/74/882999174.db2.gz JCKUNLCOABQUPP-UHFFFAOYSA-N 0 3 402.542 4.458 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000463121008 876163813 /nfs/dbraw/zinc/16/38/13/876163813.db2.gz UWCFESHTYSORIV-CQSZACIVSA-N 0 3 420.376 4.076 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1C ZINC000463195171 876254562 /nfs/dbraw/zinc/25/45/62/876254562.db2.gz VUCFLCSLHYDWHO-CJOZULMCSA-N 0 3 411.590 4.202 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469020816 883087868 /nfs/dbraw/zinc/08/78/68/883087868.db2.gz QPUWBZPOJSJSKV-UHFFFAOYSA-N 0 3 413.525 4.021 20 30 HIEDHN N#CC(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464415399 877621700 /nfs/dbraw/zinc/62/17/00/877621700.db2.gz WNNNUOFLJDMWJP-NSHDSACASA-N 0 3 421.272 4.265 20 30 HIEDHN C=C(C)C[C@@H](C)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000464648566 877869070 /nfs/dbraw/zinc/86/90/70/877869070.db2.gz FYNUVOQHRIQBLA-GOSISDBHSA-N 0 3 411.512 4.326 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)c1C ZINC000464839128 878102660 /nfs/dbraw/zinc/10/26/60/878102660.db2.gz OZJVSRHIKLNEGC-QFIPXVFZSA-N 0 3 418.585 4.147 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000503380471 912363446 /nfs/dbraw/zinc/36/34/46/912363446.db2.gz ZLXPUBJLBOQVAS-UHFFFAOYSA-N 0 3 406.408 4.053 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000465875615 879527384 /nfs/dbraw/zinc/52/73/84/879527384.db2.gz SPRHTQCTOWCPFU-NRFANRHFSA-N 0 3 421.585 4.488 20 30 HIEDHN CCOc1cc(Cl)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000469653836 883850845 /nfs/dbraw/zinc/85/08/45/883850845.db2.gz UUJOJMMDLPWEAH-UHFFFAOYSA-N 0 3 400.910 4.206 20 30 HIEDHN COc1cccc(CN(CCN(C)C)C(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000469837872 884019418 /nfs/dbraw/zinc/01/94/18/884019418.db2.gz GFCONAKNKHWEOJ-UHFFFAOYSA-N 0 3 418.541 4.158 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472442653 887292331 /nfs/dbraw/zinc/29/23/31/887292331.db2.gz BXMNHVRDRTXNHT-UHFFFAOYSA-N 0 3 401.498 4.251 20 30 HIEDHN Cc1nsc(N2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000472586583 887465422 /nfs/dbraw/zinc/46/54/22/887465422.db2.gz PCJWFSBUNWQPIM-UHFFFAOYSA-N 0 3 417.582 4.259 20 30 HIEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000504434116 913245531 /nfs/dbraw/zinc/24/55/31/913245531.db2.gz BGRAARIIJMEDAX-OAQYLSRUSA-N 0 3 408.546 4.247 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)CC1 ZINC000473825598 888658434 /nfs/dbraw/zinc/65/84/34/888658434.db2.gz CPAYKWYHWNXZQU-BJKOFHAPSA-N 0 3 417.557 4.132 20 30 HIEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000475567644 890498037 /nfs/dbraw/zinc/49/80/37/890498037.db2.gz LIHNLYIHQNRDHU-RUZDIDTESA-N 0 3 407.558 4.297 20 30 HIEDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)N(C)C)cc1 ZINC000478120712 893292028 /nfs/dbraw/zinc/29/20/28/893292028.db2.gz OTCSRSSKAWKBQV-FQEVSTJZSA-N 0 3 400.910 4.423 20 30 HIEDHN COc1ccc(CN2CCCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000505273282 913929653 /nfs/dbraw/zinc/92/96/53/913929653.db2.gz OJDWZIVIEBWCDL-UHFFFAOYSA-N 0 3 423.557 4.094 20 30 HIEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480171657 895562153 /nfs/dbraw/zinc/56/21/53/895562153.db2.gz QKPCERPNHHHVIC-CYFREDJKSA-N 0 3 414.557 4.008 20 30 HIEDHN COc1ncccc1NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000505419388 914083489 /nfs/dbraw/zinc/08/34/89/914083489.db2.gz DVWXSVHGAVPPKC-LBMSDSGBSA-N 0 3 408.527 4.260 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc2ccccc2c1 ZINC000505453985 914122096 /nfs/dbraw/zinc/12/20/96/914122096.db2.gz RYAOILQZFARSIU-UHFFFAOYSA-N 0 3 400.526 4.027 20 30 HIEDHN COc1cc(I)c(Cl)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000482004308 897400802 /nfs/dbraw/zinc/40/08/02/897400802.db2.gz VWZSIFPOEVZNRK-JQWIXIFHSA-N 0 3 404.679 4.125 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000482812085 898423247 /nfs/dbraw/zinc/42/32/47/898423247.db2.gz LDKPTSKCDFUMER-FQEVSTJZSA-N 0 3 403.448 4.185 20 30 HIEDHN C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000505636355 914335488 /nfs/dbraw/zinc/33/54/88/914335488.db2.gz OZRTXOLAZZTBEU-HXOBKFHXSA-N 0 3 400.482 4.167 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccn(Cc4cccc(OC)c4)c3c2)CC1 ZINC000484165338 899785287 /nfs/dbraw/zinc/78/52/87/899785287.db2.gz YPPVNCGYAHFNTO-UHFFFAOYSA-N 0 3 418.541 4.470 20 30 HIEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000484471219 899965360 /nfs/dbraw/zinc/96/53/60/899965360.db2.gz VXYQJJMTEQWETM-MRXNPFEDSA-N 0 3 410.371 4.020 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000485191131 900485015 /nfs/dbraw/zinc/48/50/15/900485015.db2.gz IBHQRVDDBLJLTA-UHFFFAOYSA-N 0 3 401.942 4.421 20 30 HIEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499381 902857111 /nfs/dbraw/zinc/85/71/11/902857111.db2.gz OGVMKXVIBONVGS-WOJBJXKFSA-N 0 3 412.331 4.163 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000488559838 902883242 /nfs/dbraw/zinc/88/32/42/902883242.db2.gz JBKUQDHAUTXZJE-MRXNPFEDSA-N 0 3 418.563 4.034 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000492076870 904789701 /nfs/dbraw/zinc/78/97/01/904789701.db2.gz BHLCEMWRDMSYED-OFNKIYASSA-N 0 3 404.514 4.004 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000492274907 904827628 /nfs/dbraw/zinc/82/76/28/904827628.db2.gz WRGNPDPFRHSDNV-HXUWFJFHSA-N 0 3 409.534 4.014 20 30 HIEDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512443732 921164327 /nfs/dbraw/zinc/16/43/27/921164327.db2.gz GOEDTNORORFDBK-QHCPKHFHSA-N 0 3 405.542 4.121 20 30 HIEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)N(C)C(C)C ZINC000494455891 905737327 /nfs/dbraw/zinc/73/73/27/905737327.db2.gz WEYIKOSBGIACQF-UHFFFAOYSA-N 0 3 404.558 4.424 20 30 HIEDHN Cc1cc(Br)cc2c1[C@@H](N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481412 905763531 /nfs/dbraw/zinc/76/35/31/905763531.db2.gz GNMGQWCIHNOSQN-PMACEKPBSA-N 0 3 424.342 4.007 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ncc(Cc3ccc(Cl)cc3C)s2)CC1 ZINC000496429968 906679338 /nfs/dbraw/zinc/67/93/38/906679338.db2.gz SEQGPLXKDYEZEE-UHFFFAOYSA-N 0 3 404.967 4.468 20 30 HIEDHN N#CC(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000496720630 906743274 /nfs/dbraw/zinc/74/32/74/906743274.db2.gz DCNKYRROMARTFD-INIZCTEOSA-N 0 3 413.909 4.254 20 30 HIEDHN COc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OCCCC#N ZINC000497197748 906819306 /nfs/dbraw/zinc/81/93/06/906819306.db2.gz HJILDRACKINDAX-UHFFFAOYSA-N 0 3 422.451 4.430 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512769468 921304497 /nfs/dbraw/zinc/30/44/97/921304497.db2.gz VBFMCXBKUQKLMC-SFHVURJKSA-N 0 3 404.514 4.218 20 30 HIEDHN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3CN(C)C)c2)c1 ZINC000498010060 907499778 /nfs/dbraw/zinc/49/97/78/907499778.db2.gz XOBBMCNUBLCFQP-UHFFFAOYSA-N 0 3 412.489 4.187 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000499194578 908549316 /nfs/dbraw/zinc/54/93/16/908549316.db2.gz PLFUBALSEHLXJN-REWPJTCUSA-N 0 3 409.578 4.215 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000500742105 910052453 /nfs/dbraw/zinc/05/24/53/910052453.db2.gz HIOXULPFRRDNIK-NRFANRHFSA-N 0 3 402.897 4.366 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000502284193 911237440 /nfs/dbraw/zinc/23/74/40/911237440.db2.gz XPXDJMRMPYMNRJ-XMMPIXPASA-N 0 3 400.526 4.194 20 30 HIEDHN COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077359 912048078 /nfs/dbraw/zinc/04/80/78/912048078.db2.gz UEIOKOFSQKOVHZ-AUSIDOKSSA-N 0 3 416.525 4.425 20 30 HIEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000506310652 914899659 /nfs/dbraw/zinc/89/96/59/914899659.db2.gz XVJGTPZAAWCQIH-DEOSSOPVSA-N 0 3 422.475 4.435 20 30 HIEDHN Cc1noc(C2(C)CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)n1 ZINC000513366389 921739388 /nfs/dbraw/zinc/73/93/88/921739388.db2.gz UUVYBBGUJRGBAZ-UHFFFAOYSA-N 0 3 402.498 4.382 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000506469041 915066406 /nfs/dbraw/zinc/06/64/06/915066406.db2.gz GSMUGUCCUDNAOX-UHFFFAOYSA-N 0 3 422.573 4.319 20 30 HIEDHN CN(CCCCCc1cc(-c2ccccc2)no1)CC(=O)NC1(C#N)CCCCC1 ZINC000507218149 915970806 /nfs/dbraw/zinc/97/08/06/915970806.db2.gz JUPLVOGUTAXZAE-UHFFFAOYSA-N 0 3 408.546 4.329 20 30 HIEDHN C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508803434 917559028 /nfs/dbraw/zinc/55/90/28/917559028.db2.gz XKOGSIVMSBSTPN-GOTSBHOMSA-N 0 3 421.589 4.164 20 30 HIEDHN N#CC(CCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658315 920323983 /nfs/dbraw/zinc/32/39/83/920323983.db2.gz XGOSGHZXSTVFJS-WIYYLYMNSA-N 0 3 402.460 4.379 20 30 HIEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Br)cc1 ZINC000513681490 922002140 /nfs/dbraw/zinc/00/21/40/922002140.db2.gz DDKDZJZXOIKPPJ-HNNXBMFYSA-N 0 3 420.270 4.310 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)Cc2cccc(F)c2)c1C#N ZINC000514917863 922843999 /nfs/dbraw/zinc/84/39/99/922843999.db2.gz PNKBQNPVQIHZDK-UHFFFAOYSA-N 0 3 408.477 4.218 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000517340852 924114655 /nfs/dbraw/zinc/11/46/55/924114655.db2.gz FKHLFFBMMDXBGC-QGZVFWFLSA-N 0 3 424.408 4.278 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540118 924253167 /nfs/dbraw/zinc/25/31/67/924253167.db2.gz NTLQHGQJWGWPPC-UWJYYQICSA-N 0 3 415.459 4.192 20 30 HIEDHN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517761647 926824893 /nfs/dbraw/zinc/82/48/93/926824893.db2.gz NCWOKEYCDFGBRK-AABGKKOBSA-N 0 3 403.615 4.083 20 30 HIEDHN C=C(C)COc1cc(CN[C@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC ZINC000518271874 927130638 /nfs/dbraw/zinc/13/06/38/927130638.db2.gz MTRPAPJKFNCUFD-HSZRJFAPSA-N 0 3 410.558 4.122 20 30 HIEDHN C=CCN1CCC(NC(=O)N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000518528611 927329629 /nfs/dbraw/zinc/32/96/29/927329629.db2.gz MMTQUJBUYFXYJR-MRXNPFEDSA-N 0 3 413.484 4.075 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000518531325 927331143 /nfs/dbraw/zinc/33/11/43/927331143.db2.gz UHFGIHYEJHXDGG-UHFFFAOYSA-N 0 3 406.505 4.060 20 30 HIEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518754389 927477340 /nfs/dbraw/zinc/47/73/40/927477340.db2.gz IZMAPDIEEDQXKO-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000519270621 927857482 /nfs/dbraw/zinc/85/74/82/927857482.db2.gz YDDRDUPZZMOASH-UHFFFAOYSA-N 0 3 414.553 4.287 20 30 HIEDHN CCC[C@H](NCc1cccc(OCCCC#N)c1)C(=O)N1CCc2sccc2C1 ZINC000520219825 928396526 /nfs/dbraw/zinc/39/65/26/928396526.db2.gz MYWUWRGDRWBOJC-NRFANRHFSA-N 0 3 411.571 4.274 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000520746932 928798069 /nfs/dbraw/zinc/79/80/69/928798069.db2.gz KWRMKQDORNYDEU-UHFFFAOYSA-N 0 3 404.514 4.104 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000525244375 930102916 /nfs/dbraw/zinc/10/29/16/930102916.db2.gz PBQLGKVFKBUGCC-RTBURBONSA-N 0 3 409.530 4.468 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2)CCOCC1 ZINC000533059707 931757828 /nfs/dbraw/zinc/75/78/28/931757828.db2.gz AJBAMDIOJALYCX-SFHVURJKSA-N 0 3 409.555 4.172 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1 ZINC000534753517 932730817 /nfs/dbraw/zinc/73/08/17/932730817.db2.gz KWAHKNWNKBMYJC-RPBOFIJWSA-N 0 3 411.505 4.312 20 30 HIEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535664557 933308302 /nfs/dbraw/zinc/30/83/02/933308302.db2.gz BNDAYQCDMYFCLV-GOSISDBHSA-N 0 3 411.575 4.394 20 30 HIEDHN COCc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000537383929 933748522 /nfs/dbraw/zinc/74/85/22/933748522.db2.gz NYNQKTCJHCOVNE-CQSZACIVSA-N 0 3 423.379 4.118 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)CC1 ZINC000538156589 938527250 /nfs/dbraw/zinc/52/72/50/938527250.db2.gz AKGUALWJEGQVEK-UHFFFAOYSA-N 0 3 405.502 4.213 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000538198842 938550954 /nfs/dbraw/zinc/55/09/54/938550954.db2.gz SXEIHKQGWSEMGJ-CVDCTZTESA-N 0 3 411.933 4.263 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000538208741 938556039 /nfs/dbraw/zinc/55/60/39/938556039.db2.gz WOGIVEQAFMECPR-JOCHJYFZSA-N 0 3 419.916 4.467 20 30 HIEDHN C[C@H](Cc1ccccc1)n1cccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000539122257 938806238 /nfs/dbraw/zinc/80/62/38/938806238.db2.gz WARGBXDRAOITED-OAQYLSRUSA-N 0 3 414.553 4.367 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259163 938828517 /nfs/dbraw/zinc/82/85/17/938828517.db2.gz ONRRMICPLQHUQM-LEWJYISDSA-N 0 3 415.541 4.475 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000539293746 938835416 /nfs/dbraw/zinc/83/54/16/938835416.db2.gz XEFIJLZRMTVRKT-BOCKYXSRSA-N 0 3 409.555 4.244 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000540386810 939222850 /nfs/dbraw/zinc/22/28/50/939222850.db2.gz ZYZMYTKLTQNVBB-HXUWFJFHSA-N 0 3 401.514 4.087 20 30 HIEDHN C[C@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(C#N)c1 ZINC000540597332 939315109 /nfs/dbraw/zinc/31/51/09/939315109.db2.gz MGYHUETXFOXRAK-IBGZPJMESA-N 0 3 415.516 4.270 20 30 HIEDHN Cn1ccnc1[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000540597017 939315245 /nfs/dbraw/zinc/31/52/45/939315245.db2.gz FWBVBHWGXOQSRR-QHCPKHFHSA-N 0 3 419.960 4.289 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541692416 939606446 /nfs/dbraw/zinc/60/64/46/939606446.db2.gz YOSBBFGAEGOGQA-MKFDZEHOSA-N 0 3 409.555 4.420 20 30 HIEDHN CC(=O)N(Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000541901542 939650111 /nfs/dbraw/zinc/65/01/11/939650111.db2.gz WYBYRQADAUAYSS-UHFFFAOYSA-N 0 3 402.542 4.146 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000541901386 939650157 /nfs/dbraw/zinc/65/01/57/939650157.db2.gz BLAJWICJFQJXFF-UHFFFAOYSA-N 0 3 400.482 4.480 20 30 HIEDHN CC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCc2ccccc2C1 ZINC000542420018 939818457 /nfs/dbraw/zinc/81/84/57/939818457.db2.gz YPJDQTHAAAWQBQ-QHCPKHFHSA-N 0 3 402.542 4.069 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548612273 941115192 /nfs/dbraw/zinc/11/51/92/941115192.db2.gz LEZLDMOQWIEXNF-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000549541983 941198764 /nfs/dbraw/zinc/19/87/64/941198764.db2.gz JIMWLLZMSSEUBJ-KXBFYZLASA-N 0 3 416.447 4.270 20 30 HIEDHN CC1CCN([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)CC1 ZINC000549932025 941241817 /nfs/dbraw/zinc/24/18/17/941241817.db2.gz ONTNJGMUNHLPCC-LJQANCHMSA-N 0 3 416.447 4.175 20 30 HIEDHN C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1OC ZINC000551086518 941406835 /nfs/dbraw/zinc/40/68/35/941406835.db2.gz SENMNCFMONSTSF-JOCHJYFZSA-N 0 3 423.557 4.038 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497258 941688912 /nfs/dbraw/zinc/68/89/12/941688912.db2.gz BDVVRXZKYBYUCK-HKUYNNGSSA-N 0 3 403.519 4.129 20 30 HIEDHN N#Cc1ccc(CC(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000553174329 941844902 /nfs/dbraw/zinc/84/49/02/941844902.db2.gz QAFVYOIUWPIFOX-AREMUKBSSA-N 0 3 424.548 4.189 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000553574941 941912482 /nfs/dbraw/zinc/91/24/82/941912482.db2.gz DJWGAFVKJOBWMO-UHFFFAOYSA-N 0 3 409.493 4.067 20 30 HIEDHN CN(C)C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000554072939 942029648 /nfs/dbraw/zinc/02/96/48/942029648.db2.gz GYVNXFGGUAIAPL-FQEVSTJZSA-N 0 3 423.517 4.169 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555131390 942396555 /nfs/dbraw/zinc/39/65/55/942396555.db2.gz MUUFDPQOSJNXJK-UZKOGDIHSA-N 0 3 422.976 4.037 20 30 HIEDHN C=CC1CCN(CC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000558244802 943456404 /nfs/dbraw/zinc/45/64/04/943456404.db2.gz DLJBCZOPSIGUDX-UHFFFAOYSA-N 0 3 408.542 4.131 20 30 HIEDHN C[C@@H](c1ccccc1F)N1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000559323492 943896753 /nfs/dbraw/zinc/89/67/53/943896753.db2.gz JWXGHALFZRIEED-MBSDFSHPSA-N 0 3 409.505 4.350 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000560198975 944195014 /nfs/dbraw/zinc/19/50/14/944195014.db2.gz PHXYLPAJVRTQBK-UHFFFAOYSA-N 0 3 405.523 4.290 20 30 HIEDHN N#CC(=C([O-])c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000561984107 944885888 /nfs/dbraw/zinc/88/58/88/944885888.db2.gz HQXSSBDTEDAZSN-CYBMUJFWSA-N 0 3 409.327 4.189 20 30 HIEDHN N#CC(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000561984107 944885895 /nfs/dbraw/zinc/88/58/95/944885895.db2.gz HQXSSBDTEDAZSN-CYBMUJFWSA-N 0 3 409.327 4.189 20 30 HIEDHN CN(C)C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000566591312 946051708 /nfs/dbraw/zinc/05/17/08/946051708.db2.gz XHEDFNFKTFTUDA-QFIPXVFZSA-N 0 3 419.460 4.309 20 30 HIEDHN C=C(C)[C@H](CC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1)OCC ZINC000567393316 946322812 /nfs/dbraw/zinc/32/28/12/946322812.db2.gz BXXOHWHXGTZWSS-DQEYMECFSA-N 0 3 421.585 4.446 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000570601312 947309954 /nfs/dbraw/zinc/30/99/54/947309954.db2.gz RGXRXOUZVOQRSB-CALCHBBNSA-N 0 3 411.468 4.385 20 30 HIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C2CCC(F)(F)CC2)c1C#N ZINC000571830073 947797793 /nfs/dbraw/zinc/79/77/93/947797793.db2.gz MYZUAZXZAFZQLT-UHFFFAOYSA-N 0 3 414.500 4.473 20 30 HIEDHN CN(C)C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000573010095 948055922 /nfs/dbraw/zinc/05/59/22/948055922.db2.gz KGMYDIPLPCDFGG-KRWDZBQOSA-N 0 3 424.398 4.063 20 30 HIEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000573010096 948056190 /nfs/dbraw/zinc/05/61/90/948056190.db2.gz KGMYDIPLPCDFGG-QGZVFWFLSA-N 0 3 424.398 4.063 20 30 HIEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164731177 720489230 /nfs/dbraw/zinc/48/92/30/720489230.db2.gz WJTVZCVJIDBCAO-VQTJNVASSA-N 0 3 403.917 4.317 20 30 HIEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164725336 720490405 /nfs/dbraw/zinc/49/04/05/720490405.db2.gz JUHUNRYJKBQUOB-VQTJNVASSA-N 0 3 421.907 4.456 20 30 HIEDHN Cc1ccc([C@@H](OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000027208192 847267010 /nfs/dbraw/zinc/26/70/10/847267010.db2.gz RJDCVFAVPSKWOV-FTJBHMTQSA-N 0 3 400.522 4.466 20 30 HIEDHN CC(C)Cn1nc(C(=O)C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504861 848222189 /nfs/dbraw/zinc/22/21/89/848222189.db2.gz VZFJDCNRPHSYAZ-MRXNPFEDSA-N 0 3 402.479 4.152 20 30 HIEDHN N#Cc1cccc(COc2cccc(CNCc3ccccc3Cn3cncn3)c2)c1 ZINC000047701767 849093027 /nfs/dbraw/zinc/09/30/27/849093027.db2.gz ZNQIZTPAPYGQON-UHFFFAOYSA-N 0 3 409.493 4.067 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2ccccc2nc1C ZINC000052485698 849587122 /nfs/dbraw/zinc/58/71/22/849587122.db2.gz JBQWQTLHNFDVGA-UHFFFAOYSA-N 0 3 408.575 4.036 20 30 HIEDHN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000056562995 850394820 /nfs/dbraw/zinc/39/48/20/850394820.db2.gz MGTMWXULBQXNIV-UHFFFAOYSA-N 0 3 410.537 4.496 20 30 HIEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061139711 851303334 /nfs/dbraw/zinc/30/33/34/851303334.db2.gz AMMWNOVIPMXKJJ-UHFFFAOYSA-N 0 3 404.558 4.139 20 30 HIEDHN Cc1c([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 ZINC000437073417 862269373 /nfs/dbraw/zinc/26/93/73/862269373.db2.gz GOZGYAJCDIVOEP-ULUNDTCASA-N 0 3 420.492 4.022 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000065416748 852125425 /nfs/dbraw/zinc/12/54/25/852125425.db2.gz VATHQZYBGDJEOM-UHFFFAOYSA-N 0 3 424.589 4.231 20 30 HIEDHN Cc1ccccc1CN1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000065473113 852147215 /nfs/dbraw/zinc/14/72/15/852147215.db2.gz FPHQPKLNKVSRSK-UHFFFAOYSA-N 0 3 406.530 4.394 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000107602147 852780858 /nfs/dbraw/zinc/78/08/58/852780858.db2.gz SAECSYNFLOSZKY-UHFFFAOYSA-N 0 3 419.500 4.480 20 30 HIEDHN CCc1ccc2c(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc(=O)oc2c1 ZINC000116401927 853301504 /nfs/dbraw/zinc/30/15/04/853301504.db2.gz AKYYCZIHVYCDGG-UHFFFAOYSA-N 0 3 415.493 4.078 20 30 HIEDHN CCOc1cc(CN(C)CCC(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000116912902 853337173 /nfs/dbraw/zinc/33/71/73/853337173.db2.gz KHVGVVKIZMAQPC-UHFFFAOYSA-N 0 3 409.458 4.080 20 30 HIEDHN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000138825152 853396604 /nfs/dbraw/zinc/39/66/04/853396604.db2.gz YMLBSOVUKXHJEH-JTQLQIEISA-N 0 3 402.888 4.190 20 30 HIEDHN CC[C@H](C#N)Oc1cc(CNCc2c[nH]nc2-c2ccc(OC)cc2)ccc1OC ZINC000236895091 853933914 /nfs/dbraw/zinc/93/39/14/853933914.db2.gz WXNAOJAEHHYFTP-LJQANCHMSA-N 0 3 406.486 4.065 20 30 HIEDHN CC[C@@H](C#N)Oc1cc(CNCc2c[nH]nc2-c2ccc(OC)cc2)ccc1OC ZINC000237020318 853952712 /nfs/dbraw/zinc/95/27/12/853952712.db2.gz WXNAOJAEHHYFTP-IBGZPJMESA-N 0 3 406.486 4.065 20 30 HIEDHN C=CCOc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237828938 854104504 /nfs/dbraw/zinc/10/45/04/854104504.db2.gz BAXTZGQJKWXELI-UHFFFAOYSA-N 0 3 406.448 4.397 20 30 HIEDHN C=CCN1CCC(Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC000301173224 854319751 /nfs/dbraw/zinc/31/97/51/854319751.db2.gz KWFMGLLCZAHHDM-UHFFFAOYSA-N 0 3 406.559 4.089 20 30 HIEDHN C=CCN1CCC(Nc2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301186127 854323168 /nfs/dbraw/zinc/32/31/68/854323168.db2.gz SFBXFPQIIXVSRC-UHFFFAOYSA-N 0 3 407.587 4.482 20 30 HIEDHN COc1ccc([C@H](CNc2ccc(Br)cc2C#N)N(C)C)cc1OC ZINC000302589377 854588243 /nfs/dbraw/zinc/58/82/43/854588243.db2.gz VYIKMRHATZPSGY-KRWDZBQOSA-N 0 3 404.308 4.053 20 30 HIEDHN Cc1cccc(-c2nc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)c1 ZINC000303043493 854735867 /nfs/dbraw/zinc/73/58/67/854735867.db2.gz HKVPGPUNBKSWKX-UHFFFAOYSA-N 0 3 418.566 4.123 20 30 HIEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)o1 ZINC000303129948 854775663 /nfs/dbraw/zinc/77/56/63/854775663.db2.gz AZMJXMYEQOKRGU-UHFFFAOYSA-N 0 3 403.482 4.456 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000303152102 854787273 /nfs/dbraw/zinc/78/72/73/854787273.db2.gz MXBRIRSRUIQDIF-UHFFFAOYSA-N 0 3 424.976 4.407 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000303305774 854862323 /nfs/dbraw/zinc/86/23/23/854862323.db2.gz JGLILKTWHNNXIJ-GOSISDBHSA-N 0 3 407.942 4.060 20 30 HIEDHN COC(=O)COc1c(C)cc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1C ZINC000437383975 862697668 /nfs/dbraw/zinc/69/76/68/862697668.db2.gz IQFZSTZSOILJRV-SFHVURJKSA-N 0 3 420.490 4.469 20 30 HIEDHN N#CC1(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)CCOCC1 ZINC000410306894 855918664 /nfs/dbraw/zinc/91/86/64/855918664.db2.gz CQKCMRLGJIVBJB-UHFFFAOYSA-N 0 3 403.570 4.494 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)c1 ZINC000425972958 856024745 /nfs/dbraw/zinc/02/47/45/856024745.db2.gz DSVIYVCCPRKDQD-UHFFFAOYSA-N 0 3 417.469 4.079 20 30 HIEDHN N#CCCn1ncc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1-c1ccccc1 ZINC000429725536 857851136 /nfs/dbraw/zinc/85/11/36/857851136.db2.gz SLTCJRSPGNMSPU-HSZRJFAPSA-N 0 3 413.525 4.031 20 30 HIEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)nc1 ZINC000430188660 858073544 /nfs/dbraw/zinc/07/35/44/858073544.db2.gz UWDCWGPZAMXHBK-GOSISDBHSA-N 0 3 406.467 4.243 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000431204854 858501803 /nfs/dbraw/zinc/50/18/03/858501803.db2.gz GZDLAIXNGLBEEG-LOSJGSFVSA-N 0 3 412.537 4.341 20 30 HIEDHN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433016872 859479723 /nfs/dbraw/zinc/47/97/23/859479723.db2.gz VHCJOUWHJJBYQM-XZOQPEGZSA-N 0 3 421.541 4.392 20 30 HIEDHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433019973 859482029 /nfs/dbraw/zinc/48/20/29/859482029.db2.gz LXRCYCWIZIWOQB-JOCHJYFZSA-N 0 3 401.514 4.452 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000434312764 860273343 /nfs/dbraw/zinc/27/33/43/860273343.db2.gz POXFITFQRJCCIT-QFIPXVFZSA-N 0 3 416.525 4.456 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(O[C@H]4CCOC4)cc3)n2)cc1 ZINC000434622087 860434951 /nfs/dbraw/zinc/43/49/51/860434951.db2.gz AIBBWFKRUDVOTN-VQTJNVASSA-N 0 3 420.490 4.476 20 30 HIEDHN C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000438003197 863363900 /nfs/dbraw/zinc/36/39/00/863363900.db2.gz VUFXCUUTKASGGO-MRXNPFEDSA-N 0 3 414.456 4.288 20 30 HIEDHN N#CCC[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000439384166 864812356 /nfs/dbraw/zinc/81/23/56/864812356.db2.gz YHOVCWSNIOIMDE-QFIPXVFZSA-N 0 3 408.571 4.444 20 30 HIEDHN CCCc1c(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cnn1-c1cccc(C#N)c1 ZINC000439664333 864994389 /nfs/dbraw/zinc/99/43/89/864994389.db2.gz NZLNVMMEWMZIGX-QHCPKHFHSA-N 0 3 416.529 4.121 20 30 HIEDHN C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CN1C1CC1 ZINC000441290042 866364066 /nfs/dbraw/zinc/36/40/66/866364066.db2.gz WWCDYCFVBLONCF-HTAPYJJXSA-N 0 3 406.505 4.034 20 30 HIEDHN COc1cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1C#N ZINC000442800994 867679330 /nfs/dbraw/zinc/67/93/30/867679330.db2.gz LLQPMLPFJWQUJD-INIZCTEOSA-N 0 3 415.419 4.008 20 30 HIEDHN CN(CCCSCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442893619 867726517 /nfs/dbraw/zinc/72/65/17/867726517.db2.gz TVROYWZFIRCNDZ-MRXNPFEDSA-N 0 3 413.381 4.086 20 30 HIEDHN C=CC[C@@H]1N(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1(C)C ZINC000444776383 868998069 /nfs/dbraw/zinc/99/80/69/868998069.db2.gz CLPDIMGLHBGTLO-SFHVURJKSA-N 0 3 401.507 4.329 20 30 HIEDHN CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460284500 872873448 /nfs/dbraw/zinc/87/34/48/872873448.db2.gz QNTYGIHQCBYJQA-UHFFFAOYSA-N 0 3 420.948 4.202 20 30 HIEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460572892 873306869 /nfs/dbraw/zinc/30/68/69/873306869.db2.gz CEDNFRNZRPQIGJ-ITTUMRLJSA-N 0 3 409.578 4.051 20 30 HIEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460572888 873307389 /nfs/dbraw/zinc/30/73/89/873307389.db2.gz CEDNFRNZRPQIGJ-CUXKYVRBSA-N 0 3 409.578 4.051 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000460935814 873836172 /nfs/dbraw/zinc/83/61/72/873836172.db2.gz WXRPMBKXCHTHIP-VQTJNVASSA-N 0 3 402.546 4.015 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460935812 873836589 /nfs/dbraw/zinc/83/65/89/873836589.db2.gz WXRPMBKXCHTHIP-PMACEKPBSA-N 0 3 402.546 4.015 20 30 HIEDHN CC(C)(C)OC(=O)c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000462788457 875841277 /nfs/dbraw/zinc/84/12/77/875841277.db2.gz BJSGRUPBDQHNKE-UHFFFAOYSA-N 0 3 419.525 4.364 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000463792353 876910208 /nfs/dbraw/zinc/91/02/08/876910208.db2.gz WQGUODKMOPPKTK-UHFFFAOYSA-N 0 3 420.488 4.313 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000464368559 877567035 /nfs/dbraw/zinc/56/70/35/877567035.db2.gz VIOXKPRLLIZCQN-UHFFFAOYSA-N 0 3 411.521 4.244 20 30 HIEDHN C[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000465632716 879144507 /nfs/dbraw/zinc/14/45/07/879144507.db2.gz LOLBFBJZTOLOFT-FQEVSTJZSA-N 0 3 422.598 4.097 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)c2ccccc2)CC1 ZINC000466628640 880400478 /nfs/dbraw/zinc/40/04/78/880400478.db2.gz QQUHRQZMFVOXFM-NRFANRHFSA-N 0 3 421.545 4.359 20 30 HIEDHN Cc1c([C@@H](C)NCCc2cccc(C#N)c2)nnn1-c1cccc(Br)c1 ZINC000467449453 881252305 /nfs/dbraw/zinc/25/23/05/881252305.db2.gz JVUNCILWSZRHLZ-CQSZACIVSA-N 0 3 410.319 4.103 20 30 HIEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000469592405 883827992 /nfs/dbraw/zinc/82/79/92/883827992.db2.gz FQBLEWSMXNCLHA-QGZVFWFLSA-N 0 3 412.509 4.076 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 ZINC000471401053 886051989 /nfs/dbraw/zinc/05/19/89/886051989.db2.gz IIJGHMNNKRUBCR-UHFFFAOYSA-N 0 3 407.562 4.387 20 30 HIEDHN COCCOc1cc(OC)ccc1C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000472495803 887364538 /nfs/dbraw/zinc/36/45/38/887364538.db2.gz HKFZCJNBGOHGTR-OAHLLOKOSA-N 0 3 416.886 4.474 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472535081 887407998 /nfs/dbraw/zinc/40/79/98/887407998.db2.gz CXMUJABWJNLMHC-GGAORHGYSA-N 0 3 408.521 4.107 20 30 HIEDHN CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475312401 890227225 /nfs/dbraw/zinc/22/72/25/890227225.db2.gz XZBAFCRSOVECNV-QFIPXVFZSA-N 0 3 412.493 4.092 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475520675 890443145 /nfs/dbraw/zinc/44/31/45/890443145.db2.gz SJDPRROCJZPPKW-JTHBVZDNSA-N 0 3 408.521 4.107 20 30 HIEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(I)c1OC ZINC000477337903 892305051 /nfs/dbraw/zinc/30/50/51/892305051.db2.gz LTBBXDZSABKNIO-LBPRGKRZSA-N 0 3 422.266 4.031 20 30 HIEDHN C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)N(C)Cc1ccccc1 ZINC000477409682 892362867 /nfs/dbraw/zinc/36/28/67/892362867.db2.gz YKDSPIXVRUOEDZ-YUVSOPLDSA-N 0 3 420.557 4.068 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000477482446 892470725 /nfs/dbraw/zinc/47/07/25/892470725.db2.gz IJOBTMVTKAUYJF-SFHVURJKSA-N 0 3 423.538 4.393 20 30 HIEDHN C=C(C)CN(CC)C(=O)CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000477646005 892772742 /nfs/dbraw/zinc/77/27/42/892772742.db2.gz XNOFFPSOMVAVSQ-UHFFFAOYSA-N 0 3 422.569 4.286 20 30 HIEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000477839952 892899032 /nfs/dbraw/zinc/89/90/32/892899032.db2.gz BEHXDKVLCRQFHG-LJQANCHMSA-N 0 3 408.479 4.334 20 30 HIEDHN Cc1cc(NC(=O)NCC(C)(C)CCC#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000477934896 893024266 /nfs/dbraw/zinc/02/42/66/893024266.db2.gz FXEJLIOLODKQJF-FQEVSTJZSA-N 0 3 408.550 4.090 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN(C)[C@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036483 893168113 /nfs/dbraw/zinc/16/81/13/893168113.db2.gz KZBAMUPKQUMVNP-MJGOQNOKSA-N 0 3 416.587 4.192 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2cccs2)CC1 ZINC000505174269 913862913 /nfs/dbraw/zinc/86/29/13/913862913.db2.gz BMSZSXRYYKHSEY-FQEVSTJZSA-N 0 3 411.546 4.380 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](c1ccccc1)N(C)C ZINC000480347119 895752661 /nfs/dbraw/zinc/75/26/61/895752661.db2.gz IUNOXDRDOBMPDG-QVKFZJNVSA-N 0 3 422.920 4.210 20 30 HIEDHN Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000482034139 897446783 /nfs/dbraw/zinc/44/67/83/897446783.db2.gz QIUKDMAUXCRNAK-UHFFFAOYSA-N 0 3 420.557 4.193 20 30 HIEDHN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482661701 898265258 /nfs/dbraw/zinc/26/52/58/898265258.db2.gz JTLZZXREIXIQRE-IBGZPJMESA-N 0 3 424.504 4.025 20 30 HIEDHN CCOC(=O)C1(COC)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000483193992 898851370 /nfs/dbraw/zinc/85/13/70/898851370.db2.gz JTUIOWUMLBVNRZ-UHFFFAOYSA-N 0 3 420.553 4.178 20 30 HIEDHN N#CC(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483231718 898876046 /nfs/dbraw/zinc/87/60/46/898876046.db2.gz FSDAWNPTFFDTBH-OAHLLOKOSA-N 0 3 407.355 4.324 20 30 HIEDHN C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](c1ccccc1)N(C)C ZINC000505634084 914334408 /nfs/dbraw/zinc/33/44/08/914334408.db2.gz QQGTZPMHCHDMLA-UZUQRXQVSA-N 0 3 403.482 4.151 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000505739266 914417134 /nfs/dbraw/zinc/41/71/34/914417134.db2.gz FQGLEWHDRRNFLT-HNNXBMFYSA-N 0 3 409.392 4.244 20 30 HIEDHN Cc1cc(Br)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000486324722 901500837 /nfs/dbraw/zinc/50/08/37/901500837.db2.gz ZYQWBMSRHQXOAT-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487857693 902408462 /nfs/dbraw/zinc/40/84/62/902408462.db2.gz PHASWSZILHMDKB-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN CCOc1ccc([C@@H](CC)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459975 902835169 /nfs/dbraw/zinc/83/51/69/902835169.db2.gz MAUWZTHIUYASJU-YADHBBJMSA-N 0 3 421.541 4.197 20 30 HIEDHN CCOc1ccc([C@@H](CC)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459970 902835344 /nfs/dbraw/zinc/83/53/44/902835344.db2.gz MAUWZTHIUYASJU-FGZHOGPDSA-N 0 3 421.541 4.197 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471846 902843419 /nfs/dbraw/zinc/84/34/19/902843419.db2.gz XMXHLBUSMXLKOI-RTWAWAEBSA-N 0 3 424.342 4.089 20 30 HIEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000489384250 903355685 /nfs/dbraw/zinc/35/56/85/903355685.db2.gz BXSZNLULJHGKIZ-UHFFFAOYSA-N 0 3 422.598 4.097 20 30 HIEDHN CC1(C#N)CCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000506048157 914741475 /nfs/dbraw/zinc/74/14/75/914741475.db2.gz VOFJWAGQNRWTQB-OAQYLSRUSA-N 0 3 400.469 4.057 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000492274906 904828079 /nfs/dbraw/zinc/82/80/79/904828079.db2.gz WRGNPDPFRHSDNV-FQEVSTJZSA-N 0 3 409.534 4.014 20 30 HIEDHN COc1ccc([C@H](NCCC(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515637 904862727 /nfs/dbraw/zinc/86/27/27/904862727.db2.gz OZIIPPGUSVCRSL-OAQYLSRUSA-N 0 3 419.447 4.155 20 30 HIEDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512443731 921164579 /nfs/dbraw/zinc/16/45/79/921164579.db2.gz GOEDTNORORFDBK-HSZRJFAPSA-N 0 3 405.542 4.121 20 30 HIEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489201 905773327 /nfs/dbraw/zinc/77/33/27/905773327.db2.gz CGVDJHRKVOJTQH-RVHYNSKXSA-N 0 3 415.896 4.234 20 30 HIEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491636 905777739 /nfs/dbraw/zinc/77/77/39/905777739.db2.gz JGGSPIBWXUDXMU-BQRZEWRMSA-N 0 3 403.954 4.079 20 30 HIEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1C(C)C ZINC000495323321 906376380 /nfs/dbraw/zinc/37/63/80/906376380.db2.gz CJAKCLWADDRMSX-UHFFFAOYSA-N 0 3 424.545 4.295 20 30 HIEDHN C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000496226297 906634014 /nfs/dbraw/zinc/63/40/14/906634014.db2.gz YGXWDCFHQNJAFB-HNRNTVDCSA-N 0 3 420.557 4.239 20 30 HIEDHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000512677022 921284708 /nfs/dbraw/zinc/28/47/08/921284708.db2.gz GVISERRAZCWFQM-UHFFFAOYSA-N 0 3 405.542 4.206 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3Cl)CC2)c(F)c1 ZINC000512796410 921313270 /nfs/dbraw/zinc/31/32/70/921313270.db2.gz HDOZFKQNHJLFNA-UHFFFAOYSA-N 0 3 401.869 4.223 20 30 HIEDHN CC(C)c1ccccc1OC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811427 921316627 /nfs/dbraw/zinc/31/66/27/921316627.db2.gz GEWUACGLSZJSKX-LJQANCHMSA-N 0 3 412.505 4.104 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000497927688 907394440 /nfs/dbraw/zinc/39/44/40/907394440.db2.gz MIYIFUOYFOBLBY-HNNXBMFYSA-N 0 3 404.584 4.026 20 30 HIEDHN C=CCc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc(OC)c1OC ZINC000512946437 921431695 /nfs/dbraw/zinc/43/16/95/921431695.db2.gz BFXCUISUARBQGX-QGZVFWFLSA-N 0 3 405.479 4.441 20 30 HIEDHN C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370046 909818611 /nfs/dbraw/zinc/81/86/11/909818611.db2.gz ZXOQQAIYEIDSOK-CZIOWHBQSA-N 0 3 413.443 4.371 20 30 HIEDHN C=C(C)[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014766 910979663 /nfs/dbraw/zinc/97/96/63/910979663.db2.gz GEUZBUOWRVCCJY-NHCUHLMSSA-N 0 3 403.473 4.193 20 30 HIEDHN N#Cc1ccc(OCCN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000506484454 915090470 /nfs/dbraw/zinc/09/04/70/915090470.db2.gz FMUYCHVPVMWDHD-UHFFFAOYSA-N 0 3 401.869 4.080 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H](c4nccs4)C3)sc2C1 ZINC000506562837 915209728 /nfs/dbraw/zinc/20/97/28/915209728.db2.gz QAVPEHWXQZXLAP-LSDHHAIUSA-N 0 3 414.600 4.409 20 30 HIEDHN COc1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OCCCC#N ZINC000506620110 915279206 /nfs/dbraw/zinc/27/92/06/915279206.db2.gz UBVZKROCDNKBCA-HXUWFJFHSA-N 0 3 423.561 4.075 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000507860021 916690275 /nfs/dbraw/zinc/69/02/75/916690275.db2.gz NSLYBKZDUPFSAN-UHFFFAOYSA-N 0 3 401.869 4.223 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000508159011 916980197 /nfs/dbraw/zinc/98/01/97/916980197.db2.gz DQWWYCNTJCPAQE-GOSISDBHSA-N 0 3 410.484 4.424 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000509347785 918013505 /nfs/dbraw/zinc/01/35/05/918013505.db2.gz DMFDIDVGOYCCAQ-UHFFFAOYSA-N 0 3 412.921 4.268 20 30 HIEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1OC ZINC000509381478 918048776 /nfs/dbraw/zinc/04/87/76/918048776.db2.gz YTYXHNGYQUXGLG-QGZVFWFLSA-N 0 3 415.921 4.159 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1OC ZINC000509576570 918226412 /nfs/dbraw/zinc/22/64/12/918226412.db2.gz WQOLDKSZCFVWHL-LJQANCHMSA-N 0 3 400.563 4.121 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000510879683 919373996 /nfs/dbraw/zinc/37/39/96/919373996.db2.gz RFVPGKIJDLLKLB-UHFFFAOYSA-N 0 3 403.482 4.050 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000515780006 923345539 /nfs/dbraw/zinc/34/55/39/923345539.db2.gz COQHGOJVCDLUNM-UHFFFAOYSA-N 0 3 403.448 4.207 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000516713815 923858462 /nfs/dbraw/zinc/85/84/62/923858462.db2.gz KKHNAKYNZZEFEP-KRWDZBQOSA-N 0 3 406.463 4.470 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000518002832 926942384 /nfs/dbraw/zinc/94/23/84/926942384.db2.gz DDGCCNVNMHZFFI-UHFFFAOYSA-N 0 3 416.953 4.411 20 30 HIEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000518371205 927225631 /nfs/dbraw/zinc/22/56/31/927225631.db2.gz XGONELVXGQBHJR-UHFFFAOYSA-N 0 3 416.481 4.075 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)CC1 ZINC000518496985 927309563 /nfs/dbraw/zinc/30/95/63/927309563.db2.gz QQHWMSMMTQZXRE-UHFFFAOYSA-N 0 3 404.514 4.277 20 30 HIEDHN C=CCN1CCC(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(OC)cc2)(C4)C3)CC1 ZINC000518510539 927317596 /nfs/dbraw/zinc/31/75/96/927317596.db2.gz VIPJWDSJUSSRRZ-ADXLDGDMSA-N 0 3 408.586 4.300 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 ZINC000519286761 927863788 /nfs/dbraw/zinc/86/37/88/927863788.db2.gz IEPHWMGKKBYAOX-UHFFFAOYSA-N 0 3 410.518 4.353 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000521594359 929317238 /nfs/dbraw/zinc/31/72/38/929317238.db2.gz YYMDIBFTOBWJQM-KRWDZBQOSA-N 0 3 401.551 4.027 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000524501967 929649756 /nfs/dbraw/zinc/64/97/56/929649756.db2.gz CNFDECFIBKTSNH-UHFFFAOYSA-N 0 3 423.520 4.101 20 30 HIEDHN N#Cc1ccc(Oc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc2)cc1 ZINC000530571505 930754120 /nfs/dbraw/zinc/75/41/20/930754120.db2.gz WLFLJNNMVYAMQD-UHFFFAOYSA-N 0 3 405.498 4.324 20 30 HIEDHN N#Cc1ccc(Oc2cccc(NC(=O)CC3(N4CCOCC4)CCCC3)c2)cc1 ZINC000530816328 930830607 /nfs/dbraw/zinc/83/06/07/930830607.db2.gz DNDQHDNGNNXJKT-UHFFFAOYSA-N 0 3 405.498 4.324 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000530965104 930870133 /nfs/dbraw/zinc/87/01/33/930870133.db2.gz DTVPESIQOKVQGO-LJQANCHMSA-N 0 3 406.368 4.336 20 30 HIEDHN COc1cccc(NC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000533447960 931872436 /nfs/dbraw/zinc/87/24/36/931872436.db2.gz FSRYFRZCVCSNDI-UHFFFAOYSA-N 0 3 424.570 4.022 20 30 HIEDHN C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000533936333 932110221 /nfs/dbraw/zinc/11/02/21/932110221.db2.gz AYQYYUQCMCTQNL-XXBNENTESA-N 0 3 405.542 4.151 20 30 HIEDHN C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478460 933790685 /nfs/dbraw/zinc/79/06/85/933790685.db2.gz TVXUJTDHJTWRKH-YWZLYKJASA-N 0 3 401.432 4.419 20 30 HIEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)o2)cc1 ZINC000537561861 938325046 /nfs/dbraw/zinc/32/50/46/938325046.db2.gz OXASIJCQXGTQLH-IBGZPJMESA-N 0 3 417.517 4.154 20 30 HIEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)o2)cc1 ZINC000537561861 938325048 /nfs/dbraw/zinc/32/50/48/938325048.db2.gz OXASIJCQXGTQLH-IBGZPJMESA-N 0 3 417.517 4.154 20 30 HIEDHN COc1ccc(C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1OC ZINC000538157795 938527860 /nfs/dbraw/zinc/52/78/60/938527860.db2.gz DRRIEGRNRHSDEK-JOCHJYFZSA-N 0 3 415.493 4.088 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000538186187 938542740 /nfs/dbraw/zinc/54/27/40/938542740.db2.gz CRNMEVAZWWRHSS-MSOLQXFVSA-N 0 3 419.554 4.413 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339275 938844670 /nfs/dbraw/zinc/84/46/70/938844670.db2.gz PNFSKRQAPATFIC-SFTDATJTSA-N 0 3 415.541 4.475 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491353 938867977 /nfs/dbraw/zinc/86/79/77/938867977.db2.gz QJZISTWVXJNPPC-AOMKIAJQSA-N 0 3 412.555 4.163 20 30 HIEDHN N#Cc1ccc(N2CCC(NCc3cc(F)c(F)cc3Br)CC2)cc1 ZINC000563555126 945214057 /nfs/dbraw/zinc/21/40/57/945214057.db2.gz IPYHIRINZQTRHU-UHFFFAOYSA-N 0 3 406.274 4.358 20 30 HIEDHN C=CCN(Cc1ccc(OC(F)F)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832465 938951601 /nfs/dbraw/zinc/95/16/01/938951601.db2.gz SPMOACSJBOSWCU-CQSZACIVSA-N 0 3 403.408 4.152 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC1(c2ccccc2)CCCC1 ZINC000540393419 939232011 /nfs/dbraw/zinc/23/20/11/939232011.db2.gz IXRUYUFNWDIRLI-UHFFFAOYSA-N 0 3 408.546 4.011 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000540476629 939268406 /nfs/dbraw/zinc/26/84/06/939268406.db2.gz IPRZQTYLDVMRJG-VQTJNVASSA-N 0 3 420.557 4.281 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541175844 939484330 /nfs/dbraw/zinc/48/43/30/939484330.db2.gz GMZUXLAWSPYHBM-SJORKVTESA-N 0 3 405.523 4.284 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)N2CCCC2)cc1 ZINC000541443977 939517656 /nfs/dbraw/zinc/51/76/56/939517656.db2.gz ZRGMGYSPLGIDBG-DEOSSOPVSA-N 0 3 402.542 4.378 20 30 HIEDHN C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062044 939701631 /nfs/dbraw/zinc/70/16/31/939701631.db2.gz SWZADJDZZRVRQU-FQEVSTJZSA-N 0 3 417.553 4.438 20 30 HIEDHN Cc1ccsc1[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000542526759 939837449 /nfs/dbraw/zinc/83/74/49/939837449.db2.gz PSKNXIKNRWPXSE-OAQYLSRUSA-N 0 3 410.564 4.276 20 30 HIEDHN COc1cc(Br)cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000543787118 940186611 /nfs/dbraw/zinc/18/66/11/940186611.db2.gz UZHNFDCBMSTOQJ-UHFFFAOYSA-N 0 3 400.320 4.406 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000543861591 940214253 /nfs/dbraw/zinc/21/42/53/940214253.db2.gz SIPKSTLEJMHIAF-DLBZAZTESA-N 0 3 412.493 4.002 20 30 HIEDHN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869892 940217708 /nfs/dbraw/zinc/21/77/08/940217708.db2.gz HLBCVPITINEMJB-GLYQVZKVSA-N 0 3 403.526 4.046 20 30 HIEDHN COc1cc(Br)ccc1CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548798409 941124490 /nfs/dbraw/zinc/12/44/90/941124490.db2.gz QJNVTKIGIVGQTM-UHFFFAOYSA-N 0 3 414.347 4.343 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(F)(c3cccnc3)CC1)CCCC2 ZINC000551747535 941537772 /nfs/dbraw/zinc/53/77/72/941537772.db2.gz AACGNVRPRBCQPG-UHFFFAOYSA-N 0 3 412.534 4.183 20 30 HIEDHN N#Cc1ccc(N2CCC(N[C@@H](CCO)c3ccccc3Br)CC2)cc1 ZINC000552282973 941622012 /nfs/dbraw/zinc/62/20/12/941622012.db2.gz TZNSQNGHBVOHMF-NRFANRHFSA-N 0 3 414.347 4.003 20 30 HIEDHN N#CCC[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386035 941877734 /nfs/dbraw/zinc/87/77/34/941877734.db2.gz NEDAQLRKXRQZJO-FUHWJXTLSA-N 0 3 423.738 4.477 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](C(F)(F)F)C3(CCC3)C1)CCC2 ZINC000554847806 942284816 /nfs/dbraw/zinc/28/48/16/942284816.db2.gz FUXRWQHYCFTDMK-INIZCTEOSA-N 0 3 411.493 4.492 20 30 HIEDHN N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000557062463 943009370 /nfs/dbraw/zinc/00/93/70/943009370.db2.gz WFANVLZNUZYOBH-IBGZPJMESA-N 0 3 410.468 4.228 20 30 HIEDHN Cc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc(N2CCCC2)n1 ZINC000558493977 943574704 /nfs/dbraw/zinc/57/47/04/943574704.db2.gz PVEIZXJYBVMKBI-UHFFFAOYSA-N 0 3 400.530 4.057 20 30 HIEDHN C=CCOc1c(Br)cc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1OCC ZINC000559321872 943896421 /nfs/dbraw/zinc/89/64/21/943896421.db2.gz DVSXVDIIIQEVFT-CYBMUJFWSA-N 0 3 407.308 4.364 20 30 HIEDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000560539486 944247679 /nfs/dbraw/zinc/24/76/79/944247679.db2.gz FSVIWAYLDJOLMV-UHFFFAOYSA-N 0 3 400.548 4.347 20 30 HIEDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000560541267 944248009 /nfs/dbraw/zinc/24/80/09/944248009.db2.gz DURMHQBCGAKASM-UHFFFAOYSA-N 0 3 423.517 4.076 20 30 HIEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)ccc1Cl ZINC000560598170 944269274 /nfs/dbraw/zinc/26/92/74/944269274.db2.gz BCSAEISKTCYCMG-LJQANCHMSA-N 0 3 419.916 4.416 20 30 HIEDHN N#CCCn1cc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000560611797 944273538 /nfs/dbraw/zinc/27/35/38/944273538.db2.gz IQSYGZUBRDQZEZ-OAQYLSRUSA-N 0 3 407.905 4.165 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561241030 944525064 /nfs/dbraw/zinc/52/50/64/944525064.db2.gz DPGRRURXKQGOOZ-JOCHJYFZSA-N 0 3 412.553 4.420 20 30 HIEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046593 944909428 /nfs/dbraw/zinc/90/94/28/944909428.db2.gz JAXILJLLMLGKKJ-XUEUYAKLSA-N 0 3 422.598 4.251 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265024 945796566 /nfs/dbraw/zinc/79/65/66/945796566.db2.gz NGGRVWOTLUFTCN-JXFKEZNVSA-N 0 3 407.470 4.182 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000567087315 946238112 /nfs/dbraw/zinc/23/81/12/946238112.db2.gz PRGWEEZOPXCZDR-RXVVDRJESA-N 0 3 413.587 4.251 20 30 HIEDHN C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1)OCC ZINC000567393318 946322675 /nfs/dbraw/zinc/32/26/75/946322675.db2.gz BXXOHWHXGTZWSS-LOSJGSFVSA-N 0 3 421.585 4.446 20 30 HIEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)N(C)C)cc1 ZINC000568314564 946502240 /nfs/dbraw/zinc/50/22/40/946502240.db2.gz DCBIVBIBQSKJEC-QFIPXVFZSA-N 0 3 418.497 4.033 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402323 946868238 /nfs/dbraw/zinc/86/82/38/946868238.db2.gz UWQZMYMGRIKAEI-UZLBHIALSA-N 0 3 407.470 4.182 20 30 HIEDHN C[C@H]1CN(Cc2cccc(CNCc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973010 947057611 /nfs/dbraw/zinc/05/76/11/947057611.db2.gz SSNRNCVSPMYUAL-INIZCTEOSA-N 0 3 403.448 4.088 20 30 HIEDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664891 947739222 /nfs/dbraw/zinc/73/92/22/947739222.db2.gz PZELIKNSDIZACB-QVKFZJNVSA-N 0 3 409.917 4.222 20 30 HIEDHN N#Cc1ccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000572143234 947849627 /nfs/dbraw/zinc/84/96/27/947849627.db2.gz VKFLEYOYNJCWBU-HNNXBMFYSA-N 0 3 418.337 4.125 20 30 HIEDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000573224156 948110503 /nfs/dbraw/zinc/11/05/03/948110503.db2.gz UQBFJZNHWQBOSO-DOXZYTNZSA-N 0 3 409.555 4.370 20 30 HIEDHN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164627206 719080887 /nfs/dbraw/zinc/08/08/87/719080887.db2.gz PRYRESSUANGVLI-ROUUACIJSA-N 0 3 402.876 4.252 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccsc1 ZINC000029415113 847560195 /nfs/dbraw/zinc/56/01/95/847560195.db2.gz ZCKPBXNYHYPPLF-LJQANCHMSA-N 0 3 414.600 4.427 20 30 HIEDHN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)C(C#N)c3cc(C)nc(C)n3)c12 ZINC000049408315 849309230 /nfs/dbraw/zinc/30/92/30/849309230.db2.gz FZRCVOFTSMUENX-KRWDZBQOSA-N 0 3 402.502 4.269 20 30 HIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207125 850283663 /nfs/dbraw/zinc/28/36/63/850283663.db2.gz LCXQNXHTLQXUPJ-QZTJIDSGSA-N 0 3 409.505 4.318 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000058490825 850837832 /nfs/dbraw/zinc/83/78/32/850837832.db2.gz UIBBUZLYORUIBO-SFHVURJKSA-N 0 3 423.538 4.045 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCc1ccccc1)C1CCCC1 ZINC000063754606 851756287 /nfs/dbraw/zinc/75/62/87/851756287.db2.gz VRWVNIRUFFDKET-UHFFFAOYSA-N 0 3 413.525 4.170 20 30 HIEDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCCCC#N ZINC000064614373 851940638 /nfs/dbraw/zinc/94/06/38/851940638.db2.gz UCTWBISWQPOFIQ-IBGZPJMESA-N 0 3 409.530 4.065 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000065697636 852222897 /nfs/dbraw/zinc/22/28/97/852222897.db2.gz KFQNQXCQIHRNSU-FQEVSTJZSA-N 0 3 418.463 4.459 20 30 HIEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1OC1CCCC1 ZINC000065930400 852320947 /nfs/dbraw/zinc/32/09/47/852320947.db2.gz GBNDILONAHOBNB-UHFFFAOYSA-N 0 3 421.541 4.092 20 30 HIEDHN Cc1nc(-c2ccccc2)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931001 852322435 /nfs/dbraw/zinc/32/24/35/852322435.db2.gz XEWLSTNYPLYJCH-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327570 852602457 /nfs/dbraw/zinc/60/24/57/852602457.db2.gz PLCUGIVAXJWORQ-LEWJYISDSA-N 0 3 415.459 4.271 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ccc1Br ZINC000195622849 853721707 /nfs/dbraw/zinc/72/17/07/853721707.db2.gz FOKKSWAWMSAHOQ-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN CCCC(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000195659272 853741509 /nfs/dbraw/zinc/74/15/09/853741509.db2.gz QPXYREUUWDAQSB-UHFFFAOYSA-N 0 3 421.545 4.201 20 30 HIEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000195693039 853762428 /nfs/dbraw/zinc/76/24/28/853762428.db2.gz SHSSUOXENODZNN-UHFFFAOYSA-N 0 3 419.481 4.060 20 30 HIEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000237503491 854046491 /nfs/dbraw/zinc/04/64/91/854046491.db2.gz LDDCCUFXQHUHQZ-ZWKOTPCHSA-N 0 3 400.482 4.476 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN(C)Cc2ccc(Br)cc2)c(OC)c1 ZINC000301316713 854357353 /nfs/dbraw/zinc/35/73/53/854357353.db2.gz VYNHTYHSVZNDJE-IBGZPJMESA-N 0 3 420.347 4.058 20 30 HIEDHN COc1ccc([C@@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)N(C)C)cc1OC ZINC000302564970 854586600 /nfs/dbraw/zinc/58/66/00/854586600.db2.gz OFOCXGYIKIFSCV-LJQANCHMSA-N 0 3 408.477 4.286 20 30 HIEDHN Cc1nc2sc3c(c2c(N2CCCN(Cc4ccc(C#N)cc4)CC2)n1)CCC3 ZINC000302911182 854676306 /nfs/dbraw/zinc/67/63/06/854676306.db2.gz MJBPCIRHJPRKSN-UHFFFAOYSA-N 0 3 403.555 4.072 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000303254116 854837025 /nfs/dbraw/zinc/83/70/25/854837025.db2.gz GLFVPIKCJHSVMX-UHFFFAOYSA-N 0 3 401.510 4.291 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000303259533 854839573 /nfs/dbraw/zinc/83/95/73/854839573.db2.gz HLKKUHXBASAOPO-UHFFFAOYSA-N 0 3 423.582 4.106 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000303275566 854846951 /nfs/dbraw/zinc/84/69/51/854846951.db2.gz IPQBUHRXPBEFQD-UHFFFAOYSA-N 0 3 400.954 4.339 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000303326645 854873439 /nfs/dbraw/zinc/87/34/39/854873439.db2.gz MXJPHUGAVKUKHR-UHFFFAOYSA-N 0 3 408.384 4.066 20 30 HIEDHN C#CCN1CCC(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000303348839 854886480 /nfs/dbraw/zinc/88/64/80/854886480.db2.gz XVHYTEYRDMTUBH-CQSZACIVSA-N 0 3 401.963 4.294 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000303373981 854897899 /nfs/dbraw/zinc/89/78/99/854897899.db2.gz VZAYZOOMEIUTIT-UHFFFAOYSA-N 0 3 405.392 4.051 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911330 857408823 /nfs/dbraw/zinc/40/88/23/857408823.db2.gz JIBJYZKFEPXQQR-KNQAVFIVSA-N 0 3 413.525 4.029 20 30 HIEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)nc1 ZINC000430188662 858073360 /nfs/dbraw/zinc/07/33/60/858073360.db2.gz UWDCWGPZAMXHBK-SFHVURJKSA-N 0 3 406.467 4.243 20 30 HIEDHN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](O)COCC(F)(F)F ZINC000433188299 859560874 /nfs/dbraw/zinc/56/08/74/859560874.db2.gz CHINUAOAZJWYTD-GFCCVEGCSA-N 0 3 413.280 4.096 20 30 HIEDHN CC(C)(C)OC(=O)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433334360 859649749 /nfs/dbraw/zinc/64/97/49/859649749.db2.gz HIBABLLKPYFYBK-UHFFFAOYSA-N 0 3 417.513 4.104 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(OCc3ccccn3)cc2)c(-c2ccncc2)n1 ZINC000433339553 859653912 /nfs/dbraw/zinc/65/39/12/859653912.db2.gz ARASUSKCYSIZBL-UHFFFAOYSA-N 0 3 424.508 4.123 20 30 HIEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000437837214 863191745 /nfs/dbraw/zinc/19/17/45/863191745.db2.gz DZLHCEYFBYRXTN-JOCHJYFZSA-N 0 3 422.529 4.234 20 30 HIEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000438445967 863871416 /nfs/dbraw/zinc/87/14/16/863871416.db2.gz DKROZNZHFHAUHC-RPBOFIJWSA-N 0 3 421.585 4.311 20 30 HIEDHN COc1cccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N2CCCC2)c1 ZINC000440216462 865454462 /nfs/dbraw/zinc/45/44/62/865454462.db2.gz OVTAHXZJXCTKIU-XZOQPEGZSA-N 0 3 406.530 4.176 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000441479361 866558122 /nfs/dbraw/zinc/55/81/22/866558122.db2.gz HNKDYMMQVVOKJU-IBGZPJMESA-N 0 3 401.942 4.103 20 30 HIEDHN CC(C)(C)Cc1nc(-c2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)cc2)no1 ZINC000442688364 867622582 /nfs/dbraw/zinc/62/25/82/867622582.db2.gz DADMBTUHKDCBOV-KRWDZBQOSA-N 0 3 418.501 4.133 20 30 HIEDHN N#Cc1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1C(F)(F)F ZINC000443888162 868426394 /nfs/dbraw/zinc/42/63/94/868426394.db2.gz YELGSEWCIQRROF-UHFFFAOYSA-N 0 3 416.447 4.118 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273491 868709377 /nfs/dbraw/zinc/70/93/77/868709377.db2.gz PWTUMHPRHZAZJT-XXBNENTESA-N 0 3 400.526 4.195 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000446368256 870279447 /nfs/dbraw/zinc/27/94/47/870279447.db2.gz CXPYMWLKZTZYFJ-INIZCTEOSA-N 0 3 407.839 4.422 20 30 HIEDHN Cn1cc(C(N)=O)cc1C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000447158690 871054788 /nfs/dbraw/zinc/05/47/88/871054788.db2.gz XQIXATWHHXJHCX-LBPRGKRZSA-N 0 3 419.293 4.044 20 30 HIEDHN CC(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468511482 882512888 /nfs/dbraw/zinc/51/28/88/882512888.db2.gz MLLQCJBOVYFJSJ-QFIPXVFZSA-N 0 3 414.500 4.307 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460556455 873274911 /nfs/dbraw/zinc/27/49/11/873274911.db2.gz HHGLUNQHNCUREY-LPHOPBHVSA-N 0 3 415.969 4.321 20 30 HIEDHN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000460572886 873307120 /nfs/dbraw/zinc/30/71/20/873307120.db2.gz CEDNFRNZRPQIGJ-BPBCIEFSSA-N 0 3 409.578 4.051 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460783560 873640477 /nfs/dbraw/zinc/64/04/77/873640477.db2.gz PDSYNSLMTDTJAX-KSZLIROESA-N 0 3 401.530 4.052 20 30 HIEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203726 876264436 /nfs/dbraw/zinc/26/44/36/876264436.db2.gz QKFYPERLRLLBCP-GFRNBQLOSA-N 0 3 417.981 4.238 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000463210640 876269770 /nfs/dbraw/zinc/26/97/70/876269770.db2.gz OIKSLFBBGSDDDH-NNWRFLSQSA-N 0 3 417.981 4.301 20 30 HIEDHN N#CC(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463236 877684402 /nfs/dbraw/zinc/68/44/02/877684402.db2.gz FHTOIBWOLKBWRD-KRWDZBQOSA-N 0 3 422.428 4.307 20 30 HIEDHN C=C(C)C[C@H](C)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000464648567 877868940 /nfs/dbraw/zinc/86/89/40/877868940.db2.gz FYNUVOQHRIQBLA-SFHVURJKSA-N 0 3 411.512 4.326 20 30 HIEDHN C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000464895322 878199421 /nfs/dbraw/zinc/19/94/21/878199421.db2.gz QUDGDQHNJBZYRC-NRFANRHFSA-N 0 3 405.542 4.230 20 30 HIEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000464973797 878315576 /nfs/dbraw/zinc/31/55/76/878315576.db2.gz OZVPXVNMACRXFX-UHFFFAOYSA-N 0 3 414.509 4.258 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000465589779 879072153 /nfs/dbraw/zinc/07/21/53/879072153.db2.gz DHNCWWYPGVRWGW-TZRRMPRUSA-N 0 3 402.542 4.305 20 30 HIEDHN C=CCN(Cc1ccc2c(c1)COC(C)(C)O2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899780 884088908 /nfs/dbraw/zinc/08/89/08/884088908.db2.gz UCHVXQFWMKKGQG-QGZVFWFLSA-N 0 3 405.502 4.057 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000470052606 884300099 /nfs/dbraw/zinc/30/00/99/884300099.db2.gz BZOUIAGCMKADAG-KRWDZBQOSA-N 0 3 412.361 4.197 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(Oc4ccccn4)CC3)sc2C1 ZINC000471162848 885717519 /nfs/dbraw/zinc/71/75/19/885717519.db2.gz RJMCGCKONKHKHR-INIZCTEOSA-N 0 3 424.570 4.012 20 30 HIEDHN CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472722891 887570997 /nfs/dbraw/zinc/57/09/97/887570997.db2.gz GILHPDJXLMDLLO-SFHVURJKSA-N 0 3 414.456 4.288 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000473669234 888427055 /nfs/dbraw/zinc/42/70/55/888427055.db2.gz GZTNAAOOTXDAJM-UHFFFAOYSA-N 0 3 402.926 4.143 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)CC1 ZINC000473818502 888647381 /nfs/dbraw/zinc/64/73/81/888647381.db2.gz OCSGURMUAAPWIC-UHFFFAOYSA-N 0 3 405.546 4.143 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000473937726 888815688 /nfs/dbraw/zinc/81/56/88/888815688.db2.gz CUOOUOTWXRNRHX-SFHVURJKSA-N 0 3 413.509 4.155 20 30 HIEDHN Cc1cccc(N2CCN(CCCCNC(=O)C[C@H](CC#N)c3ccccc3)CC2)c1 ZINC000474780305 889638659 /nfs/dbraw/zinc/63/86/59/889638659.db2.gz KRUFXDCIFZSSQY-DEOSSOPVSA-N 0 3 418.585 4.101 20 30 HIEDHN N#Cc1ccc(OC2CCC(NCc3c(F)cccc3Br)CC2)nc1 ZINC000474889581 889747530 /nfs/dbraw/zinc/74/75/30/889747530.db2.gz XGLXIDIKVVSJHW-UHFFFAOYSA-N 0 3 404.283 4.335 20 30 HIEDHN CCN1CCN(c2cccc(NCc3ccc(OC)c(OCCCC#N)c3)c2)CC1 ZINC000475090317 889937440 /nfs/dbraw/zinc/93/74/40/889937440.db2.gz PBRDKUKIGCLCRW-UHFFFAOYSA-N 0 3 408.546 4.132 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000475615958 890546963 /nfs/dbraw/zinc/54/69/63/890546963.db2.gz DKDBRNNCFPOYEG-UHFFFAOYSA-N 0 3 422.529 4.361 20 30 HIEDHN N#CC[C@H](CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000476428246 891341413 /nfs/dbraw/zinc/34/14/13/891341413.db2.gz NYEWVIRVMISBMY-PKTZIBPZSA-N 0 3 413.525 4.356 20 30 HIEDHN CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000476431057 891341951 /nfs/dbraw/zinc/34/19/51/891341951.db2.gz RTKNDTKRTUTVMS-QFIPXVFZSA-N 0 3 413.525 4.384 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(Br)cc2Cl)CC1 ZINC000478634907 893887283 /nfs/dbraw/zinc/88/72/83/893887283.db2.gz PQAQTXCIMJKCGU-UHFFFAOYSA-N 0 3 414.775 4.284 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000479324718 894614571 /nfs/dbraw/zinc/61/45/71/894614571.db2.gz SCSWKSZKQSBUHO-UHFFFAOYSA-N 0 3 421.383 4.211 20 30 HIEDHN Cc1ccccc1OCCCC(=O)Nc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000480635875 896005942 /nfs/dbraw/zinc/00/59/42/896005942.db2.gz LVXZJEFTSJWZMR-UHFFFAOYSA-N 0 3 416.525 4.293 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000481123313 896449544 /nfs/dbraw/zinc/44/95/44/896449544.db2.gz XFNZRJJMZTVBAT-QHCPKHFHSA-N 0 3 409.578 4.216 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481523076 896887429 /nfs/dbraw/zinc/88/74/29/896887429.db2.gz YBQRLPPZNBSVCG-LOSJGSFVSA-N 0 3 418.585 4.433 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481710669 897100709 /nfs/dbraw/zinc/10/07/09/897100709.db2.gz GTZHJAIFXWAILR-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481737168 897131284 /nfs/dbraw/zinc/13/12/84/897131284.db2.gz OMHBPSWLCQVLCV-GOTSBHOMSA-N 0 3 422.573 4.147 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)CC1 ZINC000481945455 897332936 /nfs/dbraw/zinc/33/29/36/897332936.db2.gz UCPIDBSBFIEMEJ-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000482288324 897783201 /nfs/dbraw/zinc/78/32/01/897783201.db2.gz KLMJMQSXAAWPQF-IBGZPJMESA-N 0 3 410.484 4.143 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482375683 897901373 /nfs/dbraw/zinc/90/13/73/897901373.db2.gz BKYFKYAZMZRMIU-INIZCTEOSA-N 0 3 421.410 4.231 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000483024477 898684089 /nfs/dbraw/zinc/68/40/89/898684089.db2.gz SWTPBJORLWOCHA-UHFFFAOYSA-N 0 3 410.543 4.396 20 30 HIEDHN CCCC[C@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088246 898774313 /nfs/dbraw/zinc/77/43/13/898774313.db2.gz KNCYZGXTIOPNMI-PMACEKPBSA-N 0 3 406.368 4.253 20 30 HIEDHN CSc1cccc(N(C(=O)CSc2ccc(C#N)cc2)C2CCN(C)CC2)c1 ZINC000484402352 899927935 /nfs/dbraw/zinc/92/79/35/899927935.db2.gz KCQCPQHPVGOWPS-UHFFFAOYSA-N 0 3 411.596 4.500 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc(OC)c1 ZINC000505770078 914436969 /nfs/dbraw/zinc/43/69/69/914436969.db2.gz ATJZMHNZSSVYMF-CQSZACIVSA-N 0 3 415.421 4.351 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487186430 902090861 /nfs/dbraw/zinc/09/08/61/902090861.db2.gz PAAZNDLDPFWSOV-XMMPIXPASA-N 0 3 404.558 4.382 20 30 HIEDHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000487567729 902244195 /nfs/dbraw/zinc/24/41/95/902244195.db2.gz FCFOZNUBCOGBCG-DEOSSOPVSA-N 0 3 404.558 4.059 20 30 HIEDHN CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000487936952 902467967 /nfs/dbraw/zinc/46/79/67/902467967.db2.gz UTYVREIJMRQLHW-GOSISDBHSA-N 0 3 413.319 4.059 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456155 902832807 /nfs/dbraw/zinc/83/28/07/902832807.db2.gz GBZVTUAHWUXMEP-LEWJYISDSA-N 0 3 424.342 4.089 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000488998071 903112021 /nfs/dbraw/zinc/11/20/21/903112021.db2.gz BDCNLAJAOFPORK-UHFFFAOYSA-N 0 3 406.511 4.202 20 30 HIEDHN C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000489015852 903122440 /nfs/dbraw/zinc/12/24/40/903122440.db2.gz PZQCVCUWNSEZBZ-DHIUTWEWSA-N 0 3 405.542 4.151 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000492076874 904790579 /nfs/dbraw/zinc/79/05/79/904790579.db2.gz BHLCEMWRDMSYED-REWPJTCUSA-N 0 3 404.514 4.004 20 30 HIEDHN N#Cc1ccc(Br)c(CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC000492465332 904853829 /nfs/dbraw/zinc/85/38/29/904853829.db2.gz WAUKWOUOIHVYAI-UHFFFAOYSA-N 0 3 413.241 4.442 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000494398616 905692378 /nfs/dbraw/zinc/69/23/78/905692378.db2.gz QOFPIQRXEPTHKY-UHFFFAOYSA-N 0 3 406.917 4.411 20 30 HIEDHN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC[C@H]1C1CCCC1)CCCC2 ZINC000494791610 905995085 /nfs/dbraw/zinc/99/50/85/905995085.db2.gz FJLRODNIYZBLSF-KNQAVFIVSA-N 0 3 424.589 4.011 20 30 HIEDHN Cn1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000497229168 906822313 /nfs/dbraw/zinc/82/23/13/906822313.db2.gz MTDBOURMZXOUOQ-UHFFFAOYSA-N 0 3 414.435 4.011 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)c1 ZINC000512648611 921274232 /nfs/dbraw/zinc/27/42/32/921274232.db2.gz PBMDFEWGPIUOKF-UHFFFAOYSA-N 0 3 417.431 4.350 20 30 HIEDHN Cc1nc(-c2cccs2)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000497879579 907354151 /nfs/dbraw/zinc/35/41/51/907354151.db2.gz BHZYSJDEAAAVNS-UHFFFAOYSA-N 0 3 404.539 4.194 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccc1OC(F)F ZINC000512981328 921452457 /nfs/dbraw/zinc/45/24/57/921452457.db2.gz OLOHIASRNOQDBO-CYBMUJFWSA-N 0 3 401.394 4.305 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000500748973 910058453 /nfs/dbraw/zinc/05/84/53/910058453.db2.gz PMMNDFAKEKEKQX-NRFANRHFSA-N 0 3 402.897 4.366 20 30 HIEDHN CCCOc1ccc(OCCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502156503 911076950 /nfs/dbraw/zinc/07/69/50/911076950.db2.gz KNWURBDWJSBTAM-UHFFFAOYSA-N 0 3 407.514 4.077 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000502508794 911514274 /nfs/dbraw/zinc/51/42/74/911514274.db2.gz SKJFKPORIJEFRI-IBGZPJMESA-N 0 3 404.436 4.093 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(OC(C)(C)C)n1 ZINC000506830372 915602423 /nfs/dbraw/zinc/60/24/23/915602423.db2.gz MHLMAKYGSVHYEG-UHFFFAOYSA-N 0 3 415.607 4.357 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3OCCc4ccccc43)sc2C1 ZINC000507261616 916023275 /nfs/dbraw/zinc/02/32/75/916023275.db2.gz VYRRGWYKGACLON-IIBYNOLFSA-N 0 3 423.582 4.319 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3OCCc4ccccc43)sc2C1 ZINC000507261614 916023361 /nfs/dbraw/zinc/02/33/61/916023361.db2.gz VYRRGWYKGACLON-HRAATJIYSA-N 0 3 423.582 4.319 20 30 HIEDHN C=CCn1c(-c2ncccc2C)nnc1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000508464271 917247991 /nfs/dbraw/zinc/24/79/91/917247991.db2.gz LRFNDIFUEXDEIJ-UHFFFAOYSA-N 0 3 424.552 4.310 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000508964827 917721187 /nfs/dbraw/zinc/72/11/87/917721187.db2.gz QLUZLXSGXHZUPJ-UHFFFAOYSA-N 0 3 400.526 4.122 20 30 HIEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)cc1OC ZINC000509527454 918175152 /nfs/dbraw/zinc/17/51/52/918175152.db2.gz QGTLQHUNFCUOMQ-UHFFFAOYSA-N 0 3 410.514 4.119 20 30 HIEDHN C=CCOc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000509533848 918183401 /nfs/dbraw/zinc/18/34/01/918183401.db2.gz UGEDSKIOIFSEGB-UHFFFAOYSA-N 0 3 400.906 4.461 20 30 HIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000510385182 918866108 /nfs/dbraw/zinc/86/61/08/918866108.db2.gz UFSDLQIJLPPXBV-UHFFFAOYSA-N 0 3 403.979 4.372 20 30 HIEDHN CN(C)Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000510970414 919516179 /nfs/dbraw/zinc/51/61/79/919516179.db2.gz VAUDNBOQYAQAGJ-UHFFFAOYSA-N 0 3 409.540 4.016 20 30 HIEDHN C=CCOc1c(Br)cc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1OC ZINC000512354384 921100556 /nfs/dbraw/zinc/10/05/56/921100556.db2.gz BUOUCEZKAPTTHA-PKOBYXMFSA-N 0 3 419.319 4.037 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)N(C)C)cc1 ZINC000513736355 922057268 /nfs/dbraw/zinc/05/72/68/922057268.db2.gz ZNUGCPLGDUKPEW-XMMPIXPASA-N 0 3 413.521 4.478 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1 ZINC000517310739 924095174 /nfs/dbraw/zinc/09/51/74/924095174.db2.gz WSPUTQOMYBSUCL-UHFFFAOYSA-N 0 3 416.319 4.017 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654599 926762358 /nfs/dbraw/zinc/76/23/58/926762358.db2.gz ZJVBZDRUTAXGSZ-XMSQKQJNSA-N 0 3 412.493 4.311 20 30 HIEDHN CC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)N1CCc2ccccc2C1 ZINC000517781117 926834063 /nfs/dbraw/zinc/83/40/63/926834063.db2.gz HVCLYHTVWCUSEG-DEOSSOPVSA-N 0 3 404.558 4.315 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000518022791 926961549 /nfs/dbraw/zinc/96/15/49/926961549.db2.gz GUZKQCZQMSZMIE-NRFANRHFSA-N 0 3 421.585 4.455 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000518022794 926962232 /nfs/dbraw/zinc/96/22/32/926962232.db2.gz GUZKQCZQMSZMIE-OAQYLSRUSA-N 0 3 421.585 4.455 20 30 HIEDHN N#Cc1ccc(Oc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2)nc1 ZINC000518389746 927234699 /nfs/dbraw/zinc/23/46/99/927234699.db2.gz CAJITMBOYOIAPT-HSZRJFAPSA-N 0 3 412.493 4.312 20 30 HIEDHN C=CCN1CCC(NC(=O)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000518528610 927330024 /nfs/dbraw/zinc/33/00/24/927330024.db2.gz MMTQUJBUYFXYJR-INIZCTEOSA-N 0 3 413.484 4.075 20 30 HIEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000519202404 927825186 /nfs/dbraw/zinc/82/51/86/927825186.db2.gz PLJSLMMDVKGEHE-KRWDZBQOSA-N 0 3 421.324 4.148 20 30 HIEDHN COc1cc(Br)c(CNCCSCc2ccccc2C#N)cc1OC ZINC000520208751 928389593 /nfs/dbraw/zinc/38/95/93/928389593.db2.gz HWUPVGYDZSEXHH-UHFFFAOYSA-N 0 3 421.360 4.361 20 30 HIEDHN C/C(=C\c1cccc(C(F)(F)F)c1)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649145 928699544 /nfs/dbraw/zinc/69/95/44/928699544.db2.gz XVKGVOKOBFSFBE-RBNQXFGJSA-N 0 3 413.443 4.371 20 30 HIEDHN Cc1nc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)oc1-c1ccccc1 ZINC000520713711 928762624 /nfs/dbraw/zinc/76/26/24/928762624.db2.gz ZRLUQIPPAMNCMX-UHFFFAOYSA-N 0 3 416.525 4.045 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)N(C)C)cc1 ZINC000521488940 929247850 /nfs/dbraw/zinc/24/78/50/929247850.db2.gz GUZZHOGYAIPDBR-RUZDIDTESA-N 0 3 413.521 4.478 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000521589607 929314440 /nfs/dbraw/zinc/31/44/40/929314440.db2.gz GLYBIKBFXGWNIO-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)CC1 ZINC000521657419 929349592 /nfs/dbraw/zinc/34/95/92/929349592.db2.gz JDPJKBQMPZEZPG-UHFFFAOYSA-N 0 3 404.967 4.468 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(OC3CCC(C)CC3)CC2)c(OC)c1 ZINC000524676936 929790260 /nfs/dbraw/zinc/79/02/60/929790260.db2.gz WAMCDYOLZRWSHO-IRQNMHNUSA-N 0 3 417.590 4.223 20 30 HIEDHN C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952195 930493915 /nfs/dbraw/zinc/49/39/15/930493915.db2.gz NWZPCQPAQNBJMV-WMZOPIPTSA-N 0 3 424.595 4.022 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000530965103 930870228 /nfs/dbraw/zinc/87/02/28/930870228.db2.gz DTVPESIQOKVQGO-IBGZPJMESA-N 0 3 406.368 4.336 20 30 HIEDHN N#Cc1cccc(OC2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000532571141 931533332 /nfs/dbraw/zinc/53/33/32/931533332.db2.gz LTIYYZHKAUCCCN-UHFFFAOYSA-N 0 3 418.453 4.207 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000532976280 931723168 /nfs/dbraw/zinc/72/31/68/931723168.db2.gz DGISLVYOOZCMJN-UTCTYZAISA-N 0 3 410.606 4.135 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533026584 931744185 /nfs/dbraw/zinc/74/41/85/931744185.db2.gz OIPSKGKOKOCIHU-JOCHJYFZSA-N 0 3 417.513 4.179 20 30 HIEDHN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCCC13CCCCC3)CCCC2 ZINC000533992976 932171579 /nfs/dbraw/zinc/17/15/79/932171579.db2.gz OYBIXTHTSXALGB-LJQANCHMSA-N 0 3 424.589 4.155 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1ccccc1 ZINC000534018865 932201681 /nfs/dbraw/zinc/20/16/81/932201681.db2.gz IXKWDXZKXJEJDX-JWQCQUIFSA-N 0 3 411.505 4.312 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1ccccc1 ZINC000534753516 932730111 /nfs/dbraw/zinc/73/01/11/932730111.db2.gz KWAHKNWNKBMYJC-LOSJGSFVSA-N 0 3 411.505 4.312 20 30 HIEDHN C=C[C@@H](CC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000535372660 933098791 /nfs/dbraw/zinc/09/87/91/933098791.db2.gz FOQLKCDZAYVLHY-QHCPKHFHSA-N 0 3 405.586 4.373 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000535466572 933156664 /nfs/dbraw/zinc/15/66/64/933156664.db2.gz SZRHWBGCYOQDOT-RPBOFIJWSA-N 0 3 411.505 4.312 20 30 HIEDHN COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629392 933274087 /nfs/dbraw/zinc/27/40/87/933274087.db2.gz ZOTDJCDQDSZXAB-RBUKOAKNSA-N 0 3 411.521 4.280 20 30 HIEDHN C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000563316876 945177554 /nfs/dbraw/zinc/17/75/54/945177554.db2.gz ZHCOGHMPADKSKQ-IFXJQAMLSA-N 0 3 420.435 4.312 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C)c2ccccc2-n2cccn2)c1 ZINC000538159818 938529445 /nfs/dbraw/zinc/52/94/45/938529445.db2.gz IGJOGTXBESVQPE-HXUWFJFHSA-N 0 3 401.514 4.087 20 30 HIEDHN N#Cc1c(NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)sc2c1CCCCC2 ZINC000538186581 938542784 /nfs/dbraw/zinc/54/27/84/938542784.db2.gz SXONFWQLDLZETJ-VGOFRKELSA-N 0 3 409.555 4.195 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000538186189 938542795 /nfs/dbraw/zinc/54/27/95/938542795.db2.gz CRNMEVAZWWRHSS-ROUUACIJSA-N 0 3 419.554 4.413 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000538198837 938550899 /nfs/dbraw/zinc/55/08/99/938550899.db2.gz SXEIHKQGWSEMGJ-AUSIDOKSSA-N 0 3 411.933 4.263 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000538266820 938578909 /nfs/dbraw/zinc/57/89/09/938578909.db2.gz MKOTXHDQTDWURB-HXUWFJFHSA-N 0 3 415.541 4.395 20 30 HIEDHN C[C@@H](NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(C#N)cc1 ZINC000538397257 938610493 /nfs/dbraw/zinc/61/04/93/938610493.db2.gz WJZYKKMMLQLXAP-LJQANCHMSA-N 0 3 415.516 4.270 20 30 HIEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(F)cc1 ZINC000539380259 938851905 /nfs/dbraw/zinc/85/19/05/938851905.db2.gz OVJZGIGHCGQNPT-LJQANCHMSA-N 0 3 415.534 4.334 20 30 HIEDHN COc1ccc([C@@H](CO)N(C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000539827750 938948865 /nfs/dbraw/zinc/94/88/65/938948865.db2.gz XRMAPBWIFCXYOA-RUZDIDTESA-N 0 3 402.494 4.311 20 30 HIEDHN COc1cc(OC)cc(N2CCCN(Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000539861327 938960092 /nfs/dbraw/zinc/96/00/92/938960092.db2.gz LLDSVSAOPIPHQL-UHFFFAOYSA-N 0 3 409.530 4.099 20 30 HIEDHN C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000540608800 939318558 /nfs/dbraw/zinc/31/85/58/939318558.db2.gz URMVDCBSGMHHGE-HNNXBMFYSA-N 0 3 400.320 4.008 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026933 939434455 /nfs/dbraw/zinc/43/44/55/939434455.db2.gz JJEPHLQQBRGOHS-MSOLQXFVSA-N 0 3 419.504 4.306 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000541152635 939477873 /nfs/dbraw/zinc/47/78/73/939477873.db2.gz IXVXRPASXRXOFM-UHFFFAOYSA-N 0 3 407.436 4.439 20 30 HIEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@@H]2C ZINC000542880768 939864878 /nfs/dbraw/zinc/86/48/78/939864878.db2.gz HBPIYJUXZPKZTE-LSDHHAIUSA-N 0 3 409.555 4.453 20 30 HIEDHN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000542998731 939893497 /nfs/dbraw/zinc/89/34/97/939893497.db2.gz UGHAMLDDYBIGOI-UHFFFAOYSA-N 0 3 405.889 4.245 20 30 HIEDHN N#Cc1cnn2c1NC[C@H](CN[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756481 945286060 /nfs/dbraw/zinc/28/60/60/945286060.db2.gz VWEWMOLVAWFDBW-XOBRGWDASA-N 0 3 412.324 4.482 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2NC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759034 940177122 /nfs/dbraw/zinc/17/71/22/940177122.db2.gz WMDINOCLTZAFON-OYRHEFFESA-N 0 3 418.585 4.244 20 30 HIEDHN C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872561 940219392 /nfs/dbraw/zinc/21/93/92/940219392.db2.gz CAUQQSAYSNDFBP-SFHVURJKSA-N 0 3 419.550 4.326 20 30 HIEDHN Cn1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C2CCCCC2)n1 ZINC000544347463 940396901 /nfs/dbraw/zinc/39/69/01/940396901.db2.gz WNNWZEJKKOKTPZ-UHFFFAOYSA-N 0 3 405.546 4.190 20 30 HIEDHN C=CCc1cc(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000544851165 940519175 /nfs/dbraw/zinc/51/91/75/940519175.db2.gz OUCWQFPUTXPDIN-QFIPXVFZSA-N 0 3 408.542 4.169 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000546227626 940735763 /nfs/dbraw/zinc/73/57/63/940735763.db2.gz BLHYEDUJUJMYLX-SFHVURJKSA-N 0 3 422.573 4.181 20 30 HIEDHN CC(C)N1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549341561 941181337 /nfs/dbraw/zinc/18/13/37/941181337.db2.gz VJAZLAXXEFWMSX-RBBKRZOGSA-N 0 3 414.912 4.103 20 30 HIEDHN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000550292254 941310176 /nfs/dbraw/zinc/31/01/76/941310176.db2.gz UDCVAVXDNMIZMP-FDDCHVKYSA-N 0 3 409.505 4.350 20 30 HIEDHN N#Cc1cccc(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 ZINC000551721406 941533113 /nfs/dbraw/zinc/53/31/13/941533113.db2.gz STGGWVFZSGZUED-NRFANRHFSA-N 0 3 417.431 4.273 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497261 941688752 /nfs/dbraw/zinc/68/87/52/941688752.db2.gz BDVVRXZKYBYUCK-PKOBYXMFSA-N 0 3 403.519 4.129 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000553409559 941880541 /nfs/dbraw/zinc/88/05/41/941880541.db2.gz COPWJUYMPQXTJP-HXUWFJFHSA-N 0 3 420.557 4.283 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000553450749 941887096 /nfs/dbraw/zinc/88/70/96/941887096.db2.gz MHULEGWNNNJQNU-UHFFFAOYSA-N 0 3 423.605 4.213 20 30 HIEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461273 942562727 /nfs/dbraw/zinc/56/27/27/942562727.db2.gz YGFVKRWPQOGEBK-ZFWWWQNUSA-N 0 3 401.308 4.371 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(OC(F)F)c(F)c2)c(-c2ccccc2)n1 ZINC000555619925 942673827 /nfs/dbraw/zinc/67/38/27/942673827.db2.gz PSSYOIMEYDHSSI-UHFFFAOYSA-N 0 3 400.404 4.494 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000555934956 942775650 /nfs/dbraw/zinc/77/56/50/942775650.db2.gz KTHGKFWPMYYGFA-UHFFFAOYSA-N 0 3 420.557 4.153 20 30 HIEDHN N#CCCn1cc(CN2CCCN(c3ccccc3F)CC2)c(-c2ccccc2)n1 ZINC000558413691 943552900 /nfs/dbraw/zinc/55/29/00/943552900.db2.gz HMBIFGHJNQEAFI-UHFFFAOYSA-N 0 3 403.505 4.315 20 30 HIEDHN CCc1nc2cc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000558782458 943661305 /nfs/dbraw/zinc/66/13/05/943661305.db2.gz KSTIRPZUNYRFHJ-UHFFFAOYSA-N 0 3 410.525 4.496 20 30 HIEDHN C=CCOc1c(Br)cc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1OCC ZINC000559321874 943896629 /nfs/dbraw/zinc/89/66/29/943896629.db2.gz DVSXVDIIIQEVFT-ZDUSSCGKSA-N 0 3 407.308 4.364 20 30 HIEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000560181240 944189681 /nfs/dbraw/zinc/18/96/81/944189681.db2.gz WWZVJSZZCWZFQE-PZJWPPBQSA-N 0 3 417.347 4.053 20 30 HIEDHN N#CCc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000561076599 944430508 /nfs/dbraw/zinc/43/05/08/944430508.db2.gz ROMOWYBTOGESAT-AREMUKBSSA-N 0 3 424.548 4.455 20 30 HIEDHN C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000562024733 944899315 /nfs/dbraw/zinc/89/93/15/944899315.db2.gz MXHIRFIOYYXSBE-AVRDEDQJSA-N 0 3 417.557 4.430 20 30 HIEDHN CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000564194418 945428574 /nfs/dbraw/zinc/42/85/74/945428574.db2.gz USBUROFWZGPPNN-HSZRJFAPSA-N 0 3 420.557 4.147 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265026 945796144 /nfs/dbraw/zinc/79/61/44/945796144.db2.gz NGGRVWOTLUFTCN-OXQOHEQNSA-N 0 3 407.470 4.182 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000565332141 945813866 /nfs/dbraw/zinc/81/38/66/945813866.db2.gz BLRBNGGBTPRLME-XMSQKQJNSA-N 0 3 410.583 4.335 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccco1 ZINC000565382791 945821218 /nfs/dbraw/zinc/82/12/18/945821218.db2.gz WEGXEXBYQDAGQK-UZLBHIALSA-N 0 3 404.470 4.198 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615922 945855242 /nfs/dbraw/zinc/85/52/42/945855242.db2.gz ZXOHDZGDWLVJQO-HXOBKFHXSA-N 0 3 411.571 4.317 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000569700702 946939812 /nfs/dbraw/zinc/93/98/12/946939812.db2.gz FNHKBUZTQVDKKZ-UHFFFAOYSA-N 0 3 402.542 4.131 20 30 HIEDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000573224158 948110574 /nfs/dbraw/zinc/11/05/74/948110574.db2.gz UQBFJZNHWQBOSO-YZVOILCLSA-N 0 3 409.555 4.370 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000573627196 948256163 /nfs/dbraw/zinc/25/61/63/948256163.db2.gz AKQWYFUNYFHGLG-UHFFFAOYSA-N 0 3 402.523 4.157 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000573967008 948337613 /nfs/dbraw/zinc/33/76/13/948337613.db2.gz APWUGDGASQUVSR-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000574006529 948348293 /nfs/dbraw/zinc/34/82/93/948348293.db2.gz SUUNPIRDSQUYRP-GOTSBHOMSA-N 0 3 413.481 4.312 20 30 HIEDHN Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164731176 720488746 /nfs/dbraw/zinc/48/87/46/720488746.db2.gz WJTVZCVJIDBCAO-UXHICEINSA-N 0 3 403.917 4.317 20 30 HIEDHN Cc1c(Cl)c(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900530 721520817 /nfs/dbraw/zinc/52/08/17/721520817.db2.gz RVZVPCAJPAXLPE-ZBFHGGJFSA-N 0 3 421.303 4.050 20 30 HIEDHN CC(C)Cn1nc(C(=O)C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504865 848222111 /nfs/dbraw/zinc/22/21/11/848222111.db2.gz VZFJDCNRPHSYAZ-INIZCTEOSA-N 0 3 402.479 4.152 20 30 HIEDHN Cc1cc(C(C#N)C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041561476 848233261 /nfs/dbraw/zinc/23/32/61/848233261.db2.gz GITQPTVXYVQHLR-INIZCTEOSA-N 0 3 400.442 4.169 20 30 HIEDHN COc1ccc([C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000045149163 848638626 /nfs/dbraw/zinc/63/86/26/848638626.db2.gz BJKQFIXCYMVEOU-HSZRJFAPSA-N 0 3 408.546 4.037 20 30 HIEDHN C=CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(C#N)c1 ZINC000063300811 851654531 /nfs/dbraw/zinc/65/45/31/851654531.db2.gz WLYZYCZJBXDRBE-UHFFFAOYSA-N 0 3 404.539 4.387 20 30 HIEDHN COCCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000063753962 851755571 /nfs/dbraw/zinc/75/55/71/851755571.db2.gz LWXMHJVMEZYENP-UHFFFAOYSA-N 0 3 406.313 4.342 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000065930486 852320528 /nfs/dbraw/zinc/32/05/28/852320528.db2.gz YASNRUQCQKRKAU-UHFFFAOYSA-N 0 3 414.918 4.132 20 30 HIEDHN C#CCOc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000078667608 852524996 /nfs/dbraw/zinc/52/49/96/852524996.db2.gz BRCXZOUTHFWXFP-NRFANRHFSA-N 0 3 402.416 4.092 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000107602858 852781264 /nfs/dbraw/zinc/78/12/64/852781264.db2.gz BKALQCHXFGEZJW-UHFFFAOYSA-N 0 3 422.529 4.109 20 30 HIEDHN N#CC(C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccn1 ZINC000138921761 853398827 /nfs/dbraw/zinc/39/88/27/853398827.db2.gz JIECIULBKZFONE-MRXNPFEDSA-N 0 3 414.490 4.422 20 30 HIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147473775 853588643 /nfs/dbraw/zinc/58/86/43/853588643.db2.gz WRFVELOIIPBMEI-DZGCQCFKSA-N 0 3 407.455 4.418 20 30 HIEDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000195662448 853744189 /nfs/dbraw/zinc/74/41/89/853744189.db2.gz WRPJBAJLGHABRW-BLLLJJGKSA-N 0 3 410.480 4.470 20 30 HIEDHN N#CCCn1cc(CNCc2ccnc(N3CCCCC3)c2)c(-c2ccccc2)n1 ZINC000237832564 854105554 /nfs/dbraw/zinc/10/55/54/854105554.db2.gz PFLNADHTVBJMPM-UHFFFAOYSA-N 0 3 400.530 4.139 20 30 HIEDHN N#Cc1ccc(CN2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000301080477 854290176 /nfs/dbraw/zinc/29/01/76/854290176.db2.gz JJHYYRHPUUJLQZ-UHFFFAOYSA-N 0 3 403.555 4.154 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000303346527 854884861 /nfs/dbraw/zinc/88/48/61/854884861.db2.gz ZZDYXWOWRJWEGI-OAHLLOKOSA-N 0 3 419.978 4.383 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)N(C)C)cc1 ZINC000303617149 855079807 /nfs/dbraw/zinc/07/98/07/855079807.db2.gz MJAOGWGXRPAJMT-RUZDIDTESA-N 0 3 413.521 4.478 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CCS[C@@H](C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000303740037 855165014 /nfs/dbraw/zinc/16/50/14/855165014.db2.gz YUECUFZMDKJVCH-SNYIIPAISA-N 0 3 413.583 4.342 20 30 HIEDHN CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000409814872 855668348 /nfs/dbraw/zinc/66/83/48/855668348.db2.gz YXRYASIZHQNAGL-WMZHIEFXSA-N 0 3 413.525 4.042 20 30 HIEDHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000410371976 855958003 /nfs/dbraw/zinc/95/80/03/855958003.db2.gz LVBBWDFANMADAT-HXUWFJFHSA-N 0 3 407.558 4.348 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289008 857592166 /nfs/dbraw/zinc/59/21/66/857592166.db2.gz BONBYUGAUIJKQV-QKMWGZLOSA-N 0 3 406.368 4.105 20 30 HIEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000429400480 857643991 /nfs/dbraw/zinc/64/39/91/857643991.db2.gz FFIRHDZXHAVGOH-JOCHJYFZSA-N 0 3 424.614 4.223 20 30 HIEDHN Cc1cnccc1OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000429727292 857852402 /nfs/dbraw/zinc/85/24/02/857852402.db2.gz WLMUEDZDQIICBG-UHFFFAOYSA-N 0 3 424.570 4.074 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)CC1 ZINC000430567284 858221906 /nfs/dbraw/zinc/22/19/06/858221906.db2.gz UQUYNTDRJNFXEE-IBGZPJMESA-N 0 3 406.368 4.254 20 30 HIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)s1 ZINC000430597364 858231977 /nfs/dbraw/zinc/23/19/77/858231977.db2.gz LKMTXVLCLDNXDF-GFCCVEGCSA-N 0 3 402.907 4.114 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000430967503 858384907 /nfs/dbraw/zinc/38/49/07/858384907.db2.gz SUGKORUNQVKFJB-MRXNPFEDSA-N 0 3 418.563 4.034 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000431060429 858426926 /nfs/dbraw/zinc/42/69/26/858426926.db2.gz YMEWLYDJUVNILY-NHCUHLMSSA-N 0 3 408.521 4.107 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011032 859476058 /nfs/dbraw/zinc/47/60/58/859476058.db2.gz MJWPWSVZJBBZIE-FGZHOGPDSA-N 0 3 419.525 4.146 20 30 HIEDHN COc1cc(OC)c(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000433013685 859478682 /nfs/dbraw/zinc/47/86/82/859478682.db2.gz OXEJHSYALFZZJI-QGZVFWFLSA-N 0 3 401.894 4.320 20 30 HIEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CN1Cc1ccccc1 ZINC000467690248 881483543 /nfs/dbraw/zinc/48/35/43/881483543.db2.gz COCQLABXQKSCOL-XMSQKQJNSA-N 0 3 412.493 4.138 20 30 HIEDHN CC1CCC(OC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 ZINC000435135827 860658247 /nfs/dbraw/zinc/65/82/47/860658247.db2.gz VHSMJMAAACJNTJ-UHFFFAOYSA-N 0 3 407.562 4.418 20 30 HIEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1C#N ZINC000435540845 860855017 /nfs/dbraw/zinc/85/50/17/860855017.db2.gz DMDRCVFSWXRAJU-UHFFFAOYSA-N 0 3 416.472 4.219 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438528832 863953418 /nfs/dbraw/zinc/95/34/18/863953418.db2.gz NKNJJWUYKOYCCQ-UHFFFAOYSA-N 0 3 404.436 4.259 20 30 HIEDHN CCOC(=O)c1c(NC(=O)c2cc(C#N)oc2C)sc2c1CC(C)(C)NC2(C)C ZINC000438996815 864453333 /nfs/dbraw/zinc/45/33/33/864453333.db2.gz FKWCNBKEUVLKBW-UHFFFAOYSA-N 0 3 415.515 4.110 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000439622026 864945826 /nfs/dbraw/zinc/94/58/26/864945826.db2.gz DTJPGSQEKPWDOO-UHFFFAOYSA-N 0 3 404.711 4.404 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000440164265 865392447 /nfs/dbraw/zinc/39/24/47/865392447.db2.gz XTZBJFXPHPPHLT-KRWDZBQOSA-N 0 3 412.361 4.197 20 30 HIEDHN CC[C@@H](C)[C@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808234 865925821 /nfs/dbraw/zinc/92/58/21/865925821.db2.gz PVXOOBZSQAXEEF-KOSHJBKYSA-N 0 3 420.557 4.310 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441103677 866201775 /nfs/dbraw/zinc/20/17/75/866201775.db2.gz LBRUWVQNYJDTGE-CQSZACIVSA-N 0 3 408.449 4.242 20 30 HIEDHN COc1ccc(CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)C)cc1OC ZINC000441379213 866448598 /nfs/dbraw/zinc/44/85/98/866448598.db2.gz FRCIKHHOEQQTIY-UHFFFAOYSA-N 0 3 420.513 4.326 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)c(C)c3)n2)cc1 ZINC000442857560 867700297 /nfs/dbraw/zinc/70/02/97/867700297.db2.gz GGUPRQATLLRBAY-GOSISDBHSA-N 0 3 415.478 4.198 20 30 HIEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248086 868695581 /nfs/dbraw/zinc/69/55/81/868695581.db2.gz VWEVALJHIUZIOS-XZOQPEGZSA-N 0 3 413.525 4.259 20 30 HIEDHN C=CC[C@H]1N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1(C)C ZINC000444777196 868998273 /nfs/dbraw/zinc/99/82/73/868998273.db2.gz FEJLMLCIUJUUEF-GOSISDBHSA-N 0 3 401.507 4.329 20 30 HIEDHN CSc1cccc(N(C(=O)c2c(F)cc(C#N)cc2F)C2CCN(C)CC2)c1 ZINC000445800727 869829761 /nfs/dbraw/zinc/82/97/61/869829761.db2.gz AEUFSWHCCJYPJB-UHFFFAOYSA-N 0 3 401.482 4.299 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460783558 873640540 /nfs/dbraw/zinc/64/05/40/873640540.db2.gz PDSYNSLMTDTJAX-BZSNNMDCSA-N 0 3 401.530 4.052 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC(CC)(CC)c2ccc(OC)c(OC)c2)CC1 ZINC000460912814 873818836 /nfs/dbraw/zinc/81/88/36/873818836.db2.gz OJPIIMIDACPHAJ-UHFFFAOYSA-N 0 3 417.594 4.101 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)CC1 ZINC000468865597 882897367 /nfs/dbraw/zinc/89/73/67/882897367.db2.gz FVVWQPHDSJTSBU-SFHVURJKSA-N 0 3 408.571 4.333 20 30 HIEDHN COc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1OCCCC#N ZINC000463035998 876058456 /nfs/dbraw/zinc/05/84/56/876058456.db2.gz RPFYXPQVBQRTQK-VWLOTQADSA-N 0 3 408.542 4.195 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465748008 879335152 /nfs/dbraw/zinc/33/51/52/879335152.db2.gz FQDPSPINXSUYCY-QLBRKBSLSA-N 0 3 402.542 4.303 20 30 HIEDHN Cc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)N2CCCC2)cc1 ZINC000466606187 880376069 /nfs/dbraw/zinc/37/60/69/880376069.db2.gz GOMJHMKBFPFRJV-HXUWFJFHSA-N 0 3 407.518 4.031 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)N2CCCC2)cc1 ZINC000466606186 880376449 /nfs/dbraw/zinc/37/64/49/880376449.db2.gz GOMJHMKBFPFRJV-FQEVSTJZSA-N 0 3 407.518 4.031 20 30 HIEDHN CC1CCN([C@H](CNC(=O)Nc2ncccc2OCCCC#N)c2ccccc2)CC1 ZINC000466628641 880400156 /nfs/dbraw/zinc/40/01/56/880400156.db2.gz QQUHRQZMFVOXFM-OAQYLSRUSA-N 0 3 421.545 4.359 20 30 HIEDHN CN(CCN(CC(=O)Nc1sccc1C#N)Cc1ccccc1)Cc1ccccc1 ZINC000466969368 880770303 /nfs/dbraw/zinc/77/03/03/880770303.db2.gz NTOBMMSWAJDCTC-UHFFFAOYSA-N 0 3 418.566 4.192 20 30 HIEDHN Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1Br ZINC000469679059 883865833 /nfs/dbraw/zinc/86/58/33/883865833.db2.gz DQBCIAUUZGUSOS-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000473937725 888815859 /nfs/dbraw/zinc/81/58/59/888815859.db2.gz CUOOUOTWXRNRHX-GOSISDBHSA-N 0 3 413.509 4.155 20 30 HIEDHN C=C(CNC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000478146081 893316240 /nfs/dbraw/zinc/31/62/40/893316240.db2.gz NGAPRJWVVWDHFS-HSZRJFAPSA-N 0 3 415.541 4.473 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000479280014 894556402 /nfs/dbraw/zinc/55/64/02/894556402.db2.gz JBHCKLBCQXMRMX-DEOSSOPVSA-N 0 3 423.605 4.389 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000505405374 914070587 /nfs/dbraw/zinc/07/05/87/914070587.db2.gz NMGGISNWXMAUCY-UHFFFAOYSA-N 0 3 406.408 4.053 20 30 HIEDHN N#CC(C(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000505444315 914108528 /nfs/dbraw/zinc/10/85/28/914108528.db2.gz QEMZJBZGGYDBGW-OAHLLOKOSA-N 0 3 411.870 4.481 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000481700506 897087988 /nfs/dbraw/zinc/08/79/88/897087988.db2.gz XVWHKDRZJCFKGR-UHFFFAOYSA-N 0 3 423.557 4.133 20 30 HIEDHN N#Cc1cccc(S(=O)(=O)CCNC2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000505486403 914170147 /nfs/dbraw/zinc/17/01/47/914170147.db2.gz DAPOMOUJZNROJA-UHFFFAOYSA-N 0 3 422.472 4.410 20 30 HIEDHN Cc1cccc([C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C(F)(F)F)c1 ZINC000482157490 897621092 /nfs/dbraw/zinc/62/10/92/897621092.db2.gz MEEWVVDOTMQELN-HXUWFJFHSA-N 0 3 418.463 4.244 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2Br)CC(C)C)CC1 ZINC000482576820 898173426 /nfs/dbraw/zinc/17/34/26/898173426.db2.gz DJBPHQTYMJHVOL-UHFFFAOYSA-N 0 3 408.384 4.267 20 30 HIEDHN N#CC(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cnc2ccccc2n1 ZINC000483194304 898851015 /nfs/dbraw/zinc/85/10/15/898851015.db2.gz GTWXUEHARIGEAK-FQEVSTJZSA-N 0 3 419.444 4.347 20 30 HIEDHN C=C(C)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000483301200 898932469 /nfs/dbraw/zinc/93/24/69/898932469.db2.gz FUQKEOPZBNPFLJ-JOCHJYFZSA-N 0 3 412.484 4.227 20 30 HIEDHN COc1ccccc1-c1nc(C2CCN(CCCOc3cccc(C#N)c3)CC2)no1 ZINC000484298516 899861538 /nfs/dbraw/zinc/86/15/38/899861538.db2.gz YABHIFCOANLXRH-UHFFFAOYSA-N 0 3 418.497 4.265 20 30 HIEDHN COCCCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C1CCN(C)CC1 ZINC000484861232 900251431 /nfs/dbraw/zinc/25/14/31/900251431.db2.gz JYUREESXHPVSAD-UHFFFAOYSA-N 0 3 421.541 4.232 20 30 HIEDHN COCCSc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324221 900606674 /nfs/dbraw/zinc/60/66/74/900606674.db2.gz VTTWILACCCETBT-HTAPYJJXSA-N 0 3 409.555 4.143 20 30 HIEDHN C=CCN1CCC(NC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)CC1 ZINC000487238860 902111251 /nfs/dbraw/zinc/11/12/51/902111251.db2.gz CVWAAXLVPBDJGM-SFHVURJKSA-N 0 3 407.396 4.421 20 30 HIEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000489106280 903199744 /nfs/dbraw/zinc/19/97/44/903199744.db2.gz UNQPCFKCABBYOT-HNNXBMFYSA-N 0 3 400.573 4.163 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000490768973 904220820 /nfs/dbraw/zinc/22/08/20/904220820.db2.gz NBQSYISNVBELPC-UHFFFAOYSA-N 0 3 410.949 4.017 20 30 HIEDHN C[C@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 ZINC000494069309 905406807 /nfs/dbraw/zinc/40/68/07/905406807.db2.gz ODYHUHNDMAIUMH-MBSDFSHPSA-N 0 3 412.493 4.138 20 30 HIEDHN C[C@H]1[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 ZINC000494069307 905406904 /nfs/dbraw/zinc/40/69/04/905406904.db2.gz ODYHUHNDMAIUMH-FDDCHVKYSA-N 0 3 412.493 4.138 20 30 HIEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000494779441 905978067 /nfs/dbraw/zinc/97/80/67/905978067.db2.gz VKVUNBOVHALRNW-LJQANCHMSA-N 0 3 412.578 4.011 20 30 HIEDHN COC(=O)C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccc2ccccc2c1 ZINC000494832992 906024889 /nfs/dbraw/zinc/02/48/89/906024889.db2.gz BAKJJNLGPZSCHK-PKTZIBPZSA-N 0 3 400.478 4.333 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000495162171 906279248 /nfs/dbraw/zinc/27/92/48/906279248.db2.gz PUEFNMYTAPZFDW-GOSISDBHSA-N 0 3 423.582 4.395 20 30 HIEDHN C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000496226295 906632676 /nfs/dbraw/zinc/63/26/76/906632676.db2.gz YGXWDCFHQNJAFB-BEBLGJCVSA-N 0 3 420.557 4.239 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCCc3nc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000512817294 921321032 /nfs/dbraw/zinc/32/10/32/921321032.db2.gz LJRRPTLNFCHOTQ-UHFFFAOYSA-N 0 3 406.461 4.223 20 30 HIEDHN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498267996 907805310 /nfs/dbraw/zinc/80/53/10/907805310.db2.gz RMZRMIFGXUQBKK-OAHLLOKOSA-N 0 3 420.340 4.223 20 30 HIEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000512923056 921417084 /nfs/dbraw/zinc/41/70/84/921417084.db2.gz POUDYBVJERSQSF-MRXNPFEDSA-N 0 3 406.486 4.131 20 30 HIEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000512950892 921433624 /nfs/dbraw/zinc/43/36/24/921433624.db2.gz IOMFBYNFTGYHKV-LBPRGKRZSA-N 0 3 413.405 4.121 20 30 HIEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000513074165 921527629 /nfs/dbraw/zinc/52/76/29/921527629.db2.gz HLWXSNFRFCIGFP-QGZVFWFLSA-N 0 3 404.967 4.498 20 30 HIEDHN C=CCOc1ccc(CNCCNC(=O)c2cccc(Br)c2)cc1Cl ZINC000500873298 910146829 /nfs/dbraw/zinc/14/68/29/910146829.db2.gz WKPJUHWGCMIKHI-UHFFFAOYSA-N 0 3 423.738 4.187 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000501752912 910812846 /nfs/dbraw/zinc/81/28/46/910812846.db2.gz JENGFCCYWLBJDQ-UHFFFAOYSA-N 0 3 403.448 4.257 20 30 HIEDHN N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCCN3Cc3ccccc3)o2)cc1 ZINC000513216471 921631711 /nfs/dbraw/zinc/63/17/11/921631711.db2.gz CQVQTIIWFZCGAM-OAQYLSRUSA-N 0 3 415.493 4.125 20 30 HIEDHN C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)N(C)Cc1ccccc1 ZINC000513253726 921659212 /nfs/dbraw/zinc/65/92/12/921659212.db2.gz CXEIZHGIRFTYOF-FQEVSTJZSA-N 0 3 413.521 4.388 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CC=C(c3ccc(C#N)cc3)CC1)CCC2 ZINC000502513109 911516992 /nfs/dbraw/zinc/51/69/92/911516992.db2.gz VIYHHOBSGWMKHK-UHFFFAOYSA-N 0 3 402.523 4.098 20 30 HIEDHN N#Cc1ccccc1OCCN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000506489580 915096658 /nfs/dbraw/zinc/09/66/58/915096658.db2.gz VWWIZDWGHVVXAE-UHFFFAOYSA-N 0 3 401.869 4.080 20 30 HIEDHN CCCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000507009954 915820299 /nfs/dbraw/zinc/82/02/99/915820299.db2.gz ZTWSKFSTUDIKBR-UHFFFAOYSA-N 0 3 405.542 4.266 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000507022675 915827711 /nfs/dbraw/zinc/82/77/11/915827711.db2.gz PXIACUUMNGILJE-UHFFFAOYSA-N 0 3 409.505 4.037 20 30 HIEDHN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420073 916189173 /nfs/dbraw/zinc/18/91/73/916189173.db2.gz IBUSSNILFQULMX-OXJNMPFZSA-N 0 3 424.932 4.022 20 30 HIEDHN CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439910 916209226 /nfs/dbraw/zinc/20/92/26/916209226.db2.gz HDHMGXPBZMZAMP-WZONZLPQSA-N 0 3 418.541 4.184 20 30 HIEDHN C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508888498 917644089 /nfs/dbraw/zinc/64/40/89/917644089.db2.gz NXUVKIGQQNOPRR-GOSISDBHSA-N 0 3 413.541 4.198 20 30 HIEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCN(c2ccccc2C#N)CC1 ZINC000509093037 917834406 /nfs/dbraw/zinc/83/44/06/917834406.db2.gz GREXOVFNXHTXBK-UHFFFAOYSA-N 0 3 403.505 4.212 20 30 HIEDHN CC(C)N(C)C(=O)C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000509580934 918229885 /nfs/dbraw/zinc/22/98/85/918229885.db2.gz VFLRSYXQCLBMLU-UHFFFAOYSA-N 0 3 405.542 4.216 20 30 HIEDHN CC[C@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252110 918788254 /nfs/dbraw/zinc/78/82/54/918788254.db2.gz DNZFFPQLMVDXDC-DDPYSOHJSA-N 0 3 401.551 4.064 20 30 HIEDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645246 919086699 /nfs/dbraw/zinc/08/66/99/919086699.db2.gz HFXMNXQMNVYOMY-NHCUHLMSSA-N 0 3 418.541 4.108 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000510758196 919208816 /nfs/dbraw/zinc/20/88/16/919208816.db2.gz ICSIVRIZNMMBGM-UHFFFAOYSA-N 0 3 417.509 4.486 20 30 HIEDHN N#CCCn1cc(C(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2ccccc21 ZINC000511782162 920473174 /nfs/dbraw/zinc/47/31/74/920473174.db2.gz XEWBHLKLDQMIJI-VTZPFEBOSA-N 0 3 413.521 4.242 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511793307 920486388 /nfs/dbraw/zinc/48/63/88/920486388.db2.gz QBAWHXSEWWMTKC-DSNGMDLFSA-N 0 3 417.553 4.055 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511793304 920486669 /nfs/dbraw/zinc/48/66/69/920486669.db2.gz QBAWHXSEWWMTKC-DSITVLBTSA-N 0 3 417.553 4.055 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000513728780 922049631 /nfs/dbraw/zinc/04/96/31/922049631.db2.gz KGBRTGCBUYCQDA-INIZCTEOSA-N 0 3 409.371 4.268 20 30 HIEDHN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000514830884 922818767 /nfs/dbraw/zinc/81/87/67/922818767.db2.gz GTPHZCKCWHKEMJ-HXUWFJFHSA-N 0 3 409.578 4.148 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000517317310 924098798 /nfs/dbraw/zinc/09/87/98/924098798.db2.gz DYDMWODKUIGIDU-GOSISDBHSA-N 0 3 415.578 4.417 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000517714458 926810186 /nfs/dbraw/zinc/81/01/86/926810186.db2.gz NLFMWUUEJIPZSO-NQIIRXRSSA-N 0 3 422.573 4.090 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000517751434 926821738 /nfs/dbraw/zinc/82/17/38/926821738.db2.gz DXXQJEYQRNUNAF-DNQXCXABSA-N 0 3 404.558 4.358 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)CC1 ZINC000517997734 926938920 /nfs/dbraw/zinc/93/89/20/926938920.db2.gz NTQWWVGKLNDWKM-UHFFFAOYSA-N 0 3 410.562 4.106 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000518500878 927311942 /nfs/dbraw/zinc/31/19/42/927311942.db2.gz BVOGMSAMZOMQKU-UHFFFAOYSA-N 0 3 406.555 4.235 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000519302467 927872061 /nfs/dbraw/zinc/87/20/61/927872061.db2.gz BATYDEZHGXKZOA-UHFFFAOYSA-N 0 3 423.557 4.066 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000519511562 928002572 /nfs/dbraw/zinc/00/25/72/928002572.db2.gz KERWVZRQHLCARK-JOCHJYFZSA-N 0 3 408.502 4.130 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000520697769 928744774 /nfs/dbraw/zinc/74/47/74/928744774.db2.gz RBUPDRKBAIJBGR-UHFFFAOYSA-N 0 3 418.541 4.494 20 30 HIEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)CC1 ZINC000520722434 928772141 /nfs/dbraw/zinc/77/21/41/928772141.db2.gz YLXOGSLADDKBTJ-UHFFFAOYSA-N 0 3 419.356 4.048 20 30 HIEDHN N#CC(C(=O)c1csc(I)c1)c1ccc(C(F)(F)F)cn1 ZINC000520791615 928820314 /nfs/dbraw/zinc/82/03/14/928820314.db2.gz ZOYFQYDJLDHOGU-VIFPVBQESA-N 0 3 422.169 4.257 20 30 HIEDHN N#CC(C(=O)Nc1ccc(-c2ncon2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000521507608 929259584 /nfs/dbraw/zinc/25/95/84/929259584.db2.gz QQBAALSMURUNRM-CYBMUJFWSA-N 0 3 423.404 4.384 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1 ZINC000521573611 929305563 /nfs/dbraw/zinc/30/55/63/929305563.db2.gz IZQZVFVJKMSWQT-UHFFFAOYSA-N 0 3 412.534 4.305 20 30 HIEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000521782150 929441706 /nfs/dbraw/zinc/44/17/06/929441706.db2.gz AKSYYVGREXVIOG-XMMPIXPASA-N 0 3 404.558 4.390 20 30 HIEDHN C[C@@H](OC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666526 929781472 /nfs/dbraw/zinc/78/14/72/929781472.db2.gz CAVKGYRACXAXTE-DYESRHJHSA-N 0 3 414.933 4.194 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)CC1 ZINC000524946767 929908073 /nfs/dbraw/zinc/90/80/73/929908073.db2.gz KDGOMHNYTOSDAU-GOSISDBHSA-N 0 3 419.997 4.353 20 30 HIEDHN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000525409575 930223443 /nfs/dbraw/zinc/22/34/43/930223443.db2.gz DOJMYTDVCYVSJH-HMXCVIKNSA-N 0 3 403.954 4.112 20 30 HIEDHN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000525409577 930223820 /nfs/dbraw/zinc/22/38/20/930223820.db2.gz DOJMYTDVCYVSJH-TYPHKJRUSA-N 0 3 403.954 4.112 20 30 HIEDHN N#Cc1ccccc1Oc1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000525826183 930459428 /nfs/dbraw/zinc/45/94/28/930459428.db2.gz NQJSJMLZINUYFT-UHFFFAOYSA-N 0 3 405.498 4.324 20 30 HIEDHN CCCN1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)c(OCC)c2)CC1 ZINC000527061365 930578070 /nfs/dbraw/zinc/57/80/70/930578070.db2.gz LNWNLZZLFVGFBR-UHFFFAOYSA-N 0 3 420.557 4.060 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000531695240 931158805 /nfs/dbraw/zinc/15/88/05/931158805.db2.gz BWLGEGUMDZPUHR-DLBZAZTESA-N 0 3 409.511 4.042 20 30 HIEDHN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000532489364 931458345 /nfs/dbraw/zinc/45/83/45/931458345.db2.gz GQBNBTUWKSZTRA-KRWDZBQOSA-N 0 3 408.521 4.365 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CNC2(c3ccccc3)CCOCC2)c1C#N ZINC000532708444 931600056 /nfs/dbraw/zinc/60/00/56/931600056.db2.gz AMBBKRUMDBAQTM-UHFFFAOYSA-N 0 3 420.557 4.326 20 30 HIEDHN C[C@@H]1CN([C@H](CNCc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989713 931728670 /nfs/dbraw/zinc/72/86/70/931728670.db2.gz UTLLMQBWYISJAQ-JLTOFOAXSA-N 0 3 405.876 4.041 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1ccccc1 ZINC000534018871 932201515 /nfs/dbraw/zinc/20/15/15/932201515.db2.gz IXKWDXZKXJEJDX-RPBOFIJWSA-N 0 3 411.505 4.312 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)c1C#N ZINC000538186792 938542700 /nfs/dbraw/zinc/54/27/00/938542700.db2.gz BSCIRCCZYLLSKQ-GBXCKJPGSA-N 0 3 420.557 4.398 20 30 HIEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538277950 938582058 /nfs/dbraw/zinc/58/20/58/938582058.db2.gz WBTSQWMFHSMZAN-RTBURBONSA-N 0 3 408.521 4.412 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4ccnc4)cc3)n2)cc1 ZINC000538365734 938604725 /nfs/dbraw/zinc/60/47/25/938604725.db2.gz ZZRKSVXBBAESNM-LJQANCHMSA-N 0 3 400.463 4.494 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000538481668 938631911 /nfs/dbraw/zinc/63/19/11/938631911.db2.gz LLJVUFHAGOFTKG-UHFFFAOYSA-N 0 3 407.345 4.258 20 30 HIEDHN N#CCCn1cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000538760685 938704370 /nfs/dbraw/zinc/70/43/70/938704370.db2.gz FETDWSDQMHXYHA-IBGZPJMESA-N 0 3 402.502 4.104 20 30 HIEDHN C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000539122256 938806327 /nfs/dbraw/zinc/80/63/27/938806327.db2.gz WARGBXDRAOITED-NRFANRHFSA-N 0 3 414.553 4.367 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Cl)sc1Cl ZINC000540015608 939040373 /nfs/dbraw/zinc/04/03/73/939040373.db2.gz DMGKNEXSNBLTLP-UHFFFAOYSA-N 0 3 411.358 4.200 20 30 HIEDHN CN(C)CCN(Cc1ccco1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540310565 939189889 /nfs/dbraw/zinc/18/98/89/939189889.db2.gz JBHJOKJCKXTGDJ-UHFFFAOYSA-N 0 3 402.498 4.092 20 30 HIEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522206 939286630 /nfs/dbraw/zinc/28/66/30/939286630.db2.gz QIDIKNFHQGTSAN-KPZWWZAWSA-N 0 3 401.860 4.408 20 30 HIEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540588897 939312480 /nfs/dbraw/zinc/31/24/80/939312480.db2.gz HIVUYFCOFRVLHX-UHFFFAOYSA-N 0 3 423.369 4.467 20 30 HIEDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@@H]2C ZINC000542880767 939865002 /nfs/dbraw/zinc/86/50/02/939865002.db2.gz HBPIYJUXZPKZTE-HUUCEWRRSA-N 0 3 409.555 4.453 20 30 HIEDHN N#Cc1cnn2c1NC[C@H](CN[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756476 945286125 /nfs/dbraw/zinc/28/61/25/945286125.db2.gz VWEWMOLVAWFDBW-VBKZILBWSA-N 0 3 412.324 4.482 20 30 HIEDHN COCC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543461159 940070731 /nfs/dbraw/zinc/07/07/31/940070731.db2.gz VXRRMGAESSFIKY-QGZVFWFLSA-N 0 3 401.532 4.178 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000543813529 940195302 /nfs/dbraw/zinc/19/53/02/940195302.db2.gz GGUKVUJZQDSTDZ-QGZVFWFLSA-N 0 3 421.932 4.432 20 30 HIEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000544125634 940332385 /nfs/dbraw/zinc/33/23/85/940332385.db2.gz NIVLEVWTTRNYFU-NIDLKEISSA-N 0 3 405.542 4.234 20 30 HIEDHN CN(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 ZINC000549230906 941172523 /nfs/dbraw/zinc/17/25/23/941172523.db2.gz UBUZKBBCBYGKDZ-OAQYLSRUSA-N 0 3 420.900 4.432 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555131391 942396352 /nfs/dbraw/zinc/39/63/52/942396352.db2.gz MUUFDPQOSJNXJK-VCOUNFBDSA-N 0 3 422.976 4.037 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC000555273467 942458790 /nfs/dbraw/zinc/45/87/90/942458790.db2.gz XOKKGMIJWCXMQG-SFHVURJKSA-N 0 3 413.541 4.198 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878545 942948125 /nfs/dbraw/zinc/94/81/25/942948125.db2.gz YSYINKGYCOWVKO-GIFXNVAJSA-N 0 3 419.569 4.491 20 30 HIEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000560181237 944189671 /nfs/dbraw/zinc/18/96/71/944189671.db2.gz WWZVJSZZCWZFQE-FPOVZHCZSA-N 0 3 417.347 4.053 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086310 944930021 /nfs/dbraw/zinc/93/00/21/944930021.db2.gz ATXQMJJPANAHBX-CZUORRHYSA-N 0 3 424.423 4.343 20 30 HIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433081 945580678 /nfs/dbraw/zinc/58/06/78/945580678.db2.gz HINSOVCZFYLYBH-LEWJYISDSA-N 0 3 413.443 4.345 20 30 HIEDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038987 945988997 /nfs/dbraw/zinc/98/89/97/945988997.db2.gz UMGAWZAALZPTDJ-MBSDFSHPSA-N 0 3 421.516 4.145 20 30 HIEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000566591311 946051328 /nfs/dbraw/zinc/05/13/28/946051328.db2.gz XHEDFNFKTFTUDA-JOCHJYFZSA-N 0 3 419.460 4.309 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000567087314 946237931 /nfs/dbraw/zinc/23/79/31/946237931.db2.gz PRGWEEZOPXCZDR-NQIIRXRSSA-N 0 3 413.587 4.251 20 30 HIEDHN CC(C)([C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000567415719 946331008 /nfs/dbraw/zinc/33/10/08/946331008.db2.gz NYCRZRFSKXUEQA-JOCHJYFZSA-N 0 3 415.459 4.250 20 30 HIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000568331464 946512749 /nfs/dbraw/zinc/51/27/49/946512749.db2.gz ASKXJQDLMSHTTR-IBGZPJMESA-N 0 3 400.567 4.310 20 30 HIEDHN COc1cccc([C@@H](CNC[C@@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945723 947819076 /nfs/dbraw/zinc/81/90/76/947819076.db2.gz QASCLVPSGQLBNG-YLJYHZDGSA-N 0 3 402.498 4.350 20 30 HIEDHN N#Cc1ccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000572143235 947849482 /nfs/dbraw/zinc/84/94/82/947849482.db2.gz VKFLEYOYNJCWBU-OAHLLOKOSA-N 0 3 418.337 4.125 20 30 HIEDHN CN1CC[C@@H](NCc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573142564 948087652 /nfs/dbraw/zinc/08/76/52/948087652.db2.gz ARYBCZSLWITYCQ-MJGOQNOKSA-N 0 3 409.839 4.487 20 30 HIEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164626629 719071109 /nfs/dbraw/zinc/07/11/09/719071109.db2.gz OVIVXCRGUNDGSM-VQIMIIECSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1ccc(-c2cccs2)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903122 721554876 /nfs/dbraw/zinc/55/48/76/721554876.db2.gz ARZMSLQVLCPVMZ-AZUAARDMSA-N 0 3 420.513 4.163 20 30 HIEDHN C=CCSc1nc2ccccc2n1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016876353 846218058 /nfs/dbraw/zinc/21/80/58/846218058.db2.gz HLIGUJWPMAHZOY-UHFFFAOYSA-N 0 3 420.582 4.300 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342687 861653474 /nfs/dbraw/zinc/65/34/74/861653474.db2.gz VCXJMVUYVUOBPE-RPBOFIJWSA-N 0 3 416.569 4.129 20 30 HIEDHN CCOc1ccc([C@H](NC[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537115 847731815 /nfs/dbraw/zinc/73/18/15/847731815.db2.gz GYIHVPJFGGOEFW-WIOPSUGQSA-N 0 3 402.494 4.076 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000044566517 848571351 /nfs/dbraw/zinc/57/13/51/848571351.db2.gz QVQWIDROEQDMHM-UHFFFAOYSA-N 0 3 416.525 4.126 20 30 HIEDHN COc1ccc([C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000045149162 848639026 /nfs/dbraw/zinc/63/90/26/848639026.db2.gz BJKQFIXCYMVEOU-QHCPKHFHSA-N 0 3 408.546 4.037 20 30 HIEDHN N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)o1 ZINC000048185524 849187303 /nfs/dbraw/zinc/18/73/03/849187303.db2.gz ZGLBTDAAVHSJMO-QFIPXVFZSA-N 0 3 415.493 4.297 20 30 HIEDHN CN(C(=O)C1CC1)c1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656084 849499378 /nfs/dbraw/zinc/49/93/78/849499378.db2.gz KBQOBECKOGUVIB-OAHLLOKOSA-N 0 3 408.408 4.294 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOc1cccc(Cl)c1 ZINC000052485670 849586721 /nfs/dbraw/zinc/58/67/21/849586721.db2.gz OZRDLVWRSPLIQN-UHFFFAOYSA-N 0 3 406.983 4.317 20 30 HIEDHN N#Cc1ccccc1N1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000052801291 849628649 /nfs/dbraw/zinc/62/86/49/849628649.db2.gz CJGDZKXKDMTXBO-UHFFFAOYSA-N 0 3 417.340 4.406 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccccc1Cl ZINC000060575875 851153601 /nfs/dbraw/zinc/15/36/01/851153601.db2.gz PAWHXEJRPKCJSR-UHFFFAOYSA-N 0 3 401.963 4.284 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccsc1 ZINC000064879086 852012497 /nfs/dbraw/zinc/01/24/97/852012497.db2.gz YQYRPVUCLQZVHB-IBGZPJMESA-N 0 3 416.616 4.231 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000065930573 852320775 /nfs/dbraw/zinc/32/07/75/852320775.db2.gz PGYILOUVMCMJMB-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000065930589 852320835 /nfs/dbraw/zinc/32/08/35/852320835.db2.gz KYGGSVZAANKELX-UHFFFAOYSA-N 0 3 420.340 4.224 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327571 852602711 /nfs/dbraw/zinc/60/27/11/852602711.db2.gz PLCUGIVAXJWORQ-SFTDATJTSA-N 0 3 415.459 4.271 20 30 HIEDHN Cc1ccccc1CN1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000108591479 852862479 /nfs/dbraw/zinc/86/24/79/852862479.db2.gz MQENBMTUFYKLDO-XMMPIXPASA-N 0 3 405.542 4.005 20 30 HIEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)C(=O)Nc1ccccc1 ZINC000110989253 853180997 /nfs/dbraw/zinc/18/09/97/853180997.db2.gz OPANPXWABKXKOV-INIZCTEOSA-N 0 3 424.570 4.176 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000139874242 853424935 /nfs/dbraw/zinc/42/49/35/853424935.db2.gz NTVBAJJMJKDAEX-UHFFFAOYSA-N 0 3 408.546 4.009 20 30 HIEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCOCc1ccccc1 ZINC000140312807 853440996 /nfs/dbraw/zinc/44/09/96/853440996.db2.gz VMVSELMTEUKOMG-QGZVFWFLSA-N 0 3 414.889 4.301 20 30 HIEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 ZINC000140386743 853442900 /nfs/dbraw/zinc/44/29/00/853442900.db2.gz VZOQVEGTRRVZDK-HNNXBMFYSA-N 0 3 411.870 4.433 20 30 HIEDHN C=CCOc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000236683667 853911152 /nfs/dbraw/zinc/91/11/52/853911152.db2.gz DTXQOCNZFRVMFX-UHFFFAOYSA-N 0 3 402.498 4.258 20 30 HIEDHN C=CCc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000237226672 853986740 /nfs/dbraw/zinc/98/67/40/853986740.db2.gz HUGJSANNYQEEJD-UHFFFAOYSA-N 0 3 422.485 4.031 20 30 HIEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237498771 854045234 /nfs/dbraw/zinc/04/52/34/854045234.db2.gz LDDCCUFXQHUHQZ-ROUUACIJSA-N 0 3 400.482 4.476 20 30 HIEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237599176 854060652 /nfs/dbraw/zinc/06/06/52/854060652.db2.gz NDCHCNHCGKNRGG-MRXNPFEDSA-N 0 3 419.447 4.123 20 30 HIEDHN C=CCN1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000301154201 854313681 /nfs/dbraw/zinc/31/36/81/854313681.db2.gz CCJOXKMXNKYUHA-UHFFFAOYSA-N 0 3 403.317 4.160 20 30 HIEDHN N#Cc1cc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301798644 854467871 /nfs/dbraw/zinc/46/78/71/854467871.db2.gz ROUGELISVLYTDU-UHFFFAOYSA-N 0 3 404.392 4.198 20 30 HIEDHN COc1ccc([C@@H](CNc2ccc(Br)cc2C#N)N(C)C)cc1OC ZINC000302589380 854588170 /nfs/dbraw/zinc/58/81/70/854588170.db2.gz VYIKMRHATZPSGY-QGZVFWFLSA-N 0 3 404.308 4.053 20 30 HIEDHN C=CCOc1ccc(/C=C/C(=O)N2CCCN(Cc3ccccc3)CC2)cc1OC ZINC000302902627 854673170 /nfs/dbraw/zinc/67/31/70/854673170.db2.gz XFEHQJJESMDZIS-ACCUITESSA-N 0 3 406.526 4.008 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC000303281331 854850133 /nfs/dbraw/zinc/85/01/33/854850133.db2.gz MFNKFWCILACMED-UHFFFAOYSA-N 0 3 401.457 4.412 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000303415051 854916780 /nfs/dbraw/zinc/91/67/80/854916780.db2.gz VXXPBNAICWCLCH-UHFFFAOYSA-N 0 3 417.513 4.097 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000303744828 855167274 /nfs/dbraw/zinc/16/72/74/855167274.db2.gz ZIULOHJSZPOXFW-GPJFCIFZSA-N 0 3 414.619 4.073 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(OC)c1 ZINC000426135196 856130474 /nfs/dbraw/zinc/13/04/74/856130474.db2.gz ZVEXIINFSWFJRY-HXUWFJFHSA-N 0 3 400.910 4.425 20 30 HIEDHN CCOC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(C)c1C ZINC000428373007 857181835 /nfs/dbraw/zinc/18/18/35/857181835.db2.gz JXQOGZFWEKLJKE-DEOSSOPVSA-N 0 3 405.542 4.034 20 30 HIEDHN N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)c2)cc1 ZINC000428552731 857262558 /nfs/dbraw/zinc/26/25/58/857262558.db2.gz VOVJYVRJXIUGRK-DEOSSOPVSA-N 0 3 412.493 4.121 20 30 HIEDHN COc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429004143 857452584 /nfs/dbraw/zinc/45/25/84/857452584.db2.gz IVYAQLJJOZUKLS-QHCPKHFHSA-N 0 3 406.526 4.394 20 30 HIEDHN C=CCC(CC=C)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000467535026 881355620 /nfs/dbraw/zinc/35/56/20/881355620.db2.gz FUEBKNZVCMHJLS-UHFFFAOYSA-N 0 3 421.379 4.177 20 30 HIEDHN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467605532 881411637 /nfs/dbraw/zinc/41/16/37/881411637.db2.gz KYDSPHCWLAEFFR-UHFFFAOYSA-N 0 3 407.411 4.229 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011034 859476393 /nfs/dbraw/zinc/47/63/93/859476393.db2.gz MJWPWSVZJBBZIE-YADHBBJMSA-N 0 3 419.525 4.146 20 30 HIEDHN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433011234 859477584 /nfs/dbraw/zinc/47/75/84/859477584.db2.gz NKOGPVBYZYCRCA-HXUWFJFHSA-N 0 3 402.502 4.052 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000433013408 859478554 /nfs/dbraw/zinc/47/85/54/859478554.db2.gz NVOWIWHLPSIFES-LJQANCHMSA-N 0 3 407.411 4.485 20 30 HIEDHN Cc1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000433017473 859481030 /nfs/dbraw/zinc/48/10/30/859481030.db2.gz CHTDQRVAYXBSSF-QFIPXVFZSA-N 0 3 401.514 4.452 20 30 HIEDHN FC(F)(F)Oc1ccc(C#CCN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000434682123 860458173 /nfs/dbraw/zinc/45/81/73/860458173.db2.gz UYHOANKHPHNAPO-UHFFFAOYSA-N 0 3 403.448 4.349 20 30 HIEDHN Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435293235 860723205 /nfs/dbraw/zinc/72/32/05/860723205.db2.gz WNXQBFFAJBLAOV-GOSISDBHSA-N 0 3 421.451 4.041 20 30 HIEDHN N#CCCCn1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc21 ZINC000435614331 860918068 /nfs/dbraw/zinc/91/80/68/860918068.db2.gz FHHWMGPHZRPXGV-NRFANRHFSA-N 0 3 400.526 4.339 20 30 HIEDHN Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000467837132 881670765 /nfs/dbraw/zinc/67/07/65/881670765.db2.gz XNAOOZDGZRFXOA-UHFFFAOYSA-N 0 3 407.411 4.229 20 30 HIEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000438445965 863871885 /nfs/dbraw/zinc/87/18/85/863871885.db2.gz DKROZNZHFHAUHC-JWQCQUIFSA-N 0 3 421.585 4.311 20 30 HIEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000438454573 863878512 /nfs/dbraw/zinc/87/85/12/863878512.db2.gz APKSCAMPTYSICF-UHFFFAOYSA-N 0 3 419.550 4.403 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438624160 864051766 /nfs/dbraw/zinc/05/17/66/864051766.db2.gz VGJGLCIGSKJTPA-UHFFFAOYSA-N 0 3 404.436 4.259 20 30 HIEDHN N#CCC[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccccc1 ZINC000439384164 864812848 /nfs/dbraw/zinc/81/28/48/864812848.db2.gz YHOVCWSNIOIMDE-JOCHJYFZSA-N 0 3 408.571 4.444 20 30 HIEDHN COc1cc(CN[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)ccc1C#N ZINC000440798289 865920343 /nfs/dbraw/zinc/92/03/43/865920343.db2.gz HDGAXLUKRIJWJZ-QGZVFWFLSA-N 0 3 403.482 4.400 20 30 HIEDHN COc1cc(CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)ccc1C#N ZINC000441334227 866405539 /nfs/dbraw/zinc/40/55/39/866405539.db2.gz NMKKSOCVQAQTRB-UHFFFAOYSA-N 0 3 406.404 4.261 20 30 HIEDHN COc1cc(CNCc2ccccc2-c2ccc(Cn3cncn3)cc2)ccc1C#N ZINC000442847612 867696711 /nfs/dbraw/zinc/69/67/11/867696711.db2.gz QSRFGCBKMBFJKD-UHFFFAOYSA-N 0 3 409.493 4.163 20 30 HIEDHN C=CCOCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)NC2(C)C ZINC000443817136 868349985 /nfs/dbraw/zinc/34/99/85/868349985.db2.gz PQFNYGKFFMVSPB-UHFFFAOYSA-N 0 3 408.564 4.006 20 30 HIEDHN N#CCCCn1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000443930193 868468901 /nfs/dbraw/zinc/46/89/01/868468901.db2.gz USBOBTOJRIVVJV-UHFFFAOYSA-N 0 3 400.526 4.293 20 30 HIEDHN CC[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537543 871403504 /nfs/dbraw/zinc/40/35/04/871403504.db2.gz WRVRDQHZDWGEKX-JPYJTQIMSA-N 0 3 411.571 4.220 20 30 HIEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460769262 873615623 /nfs/dbraw/zinc/61/56/23/873615623.db2.gz HNZNZPUHSARGNT-WAGURGNTSA-N 0 3 409.578 4.018 20 30 HIEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000462056861 875170579 /nfs/dbraw/zinc/17/05/79/875170579.db2.gz IXCQQXCZLKHNEG-UHFFFAOYSA-N 0 3 403.979 4.128 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000463818062 876932419 /nfs/dbraw/zinc/93/24/19/876932419.db2.gz ZCWQMHJTDAYNAI-INIZCTEOSA-N 0 3 414.347 4.015 20 30 HIEDHN N#CCCCN1C(=O)CCc2cc(NC3CCN(CCC(F)(F)F)CC3)ccc21 ZINC000469030184 883098528 /nfs/dbraw/zinc/09/85/28/883098528.db2.gz MYNRGVXNJRFLDO-UHFFFAOYSA-N 0 3 408.468 4.098 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)c1C ZINC000464839125 878102772 /nfs/dbraw/zinc/10/27/72/878102772.db2.gz OZJVSRHIKLNEGC-JOCHJYFZSA-N 0 3 418.585 4.147 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000465854271 879499431 /nfs/dbraw/zinc/49/94/31/879499431.db2.gz HBJJIIXAGRNLDR-QFIPXVFZSA-N 0 3 413.949 4.388 20 30 HIEDHN COc1ccccc1-n1ncc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000467189081 880915966 /nfs/dbraw/zinc/91/59/66/880915966.db2.gz CVLTVGNENOSDKJ-CQSZACIVSA-N 0 3 400.360 4.093 20 30 HIEDHN C=CCCN(C)CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000467298352 881043863 /nfs/dbraw/zinc/04/38/63/881043863.db2.gz UTGVPDWDUBYRIT-HXUWFJFHSA-N 0 3 416.447 4.295 20 30 HIEDHN C=CCCN(C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000467298352 881043880 /nfs/dbraw/zinc/04/38/80/881043880.db2.gz UTGVPDWDUBYRIT-HXUWFJFHSA-N 0 3 416.447 4.295 20 30 HIEDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469109663 883200319 /nfs/dbraw/zinc/20/03/19/883200319.db2.gz YGYAIXKHMRUFGL-UHFFFAOYSA-N 0 3 406.505 4.288 20 30 HIEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025340 884244916 /nfs/dbraw/zinc/24/49/16/884244916.db2.gz VPEDRKYBXVMEAK-INIZCTEOSA-N 0 3 404.297 4.347 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472535083 887407817 /nfs/dbraw/zinc/40/78/17/887407817.db2.gz CXMUJABWJNLMHC-GMAHTHKFSA-N 0 3 408.521 4.107 20 30 HIEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(F)cc(C(F)(F)F)c1 ZINC000473528819 888266833 /nfs/dbraw/zinc/26/68/33/888266833.db2.gz MSSUAPBCPQBKSU-UHFFFAOYSA-N 0 3 412.349 4.380 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)CC1 ZINC000473825599 888658572 /nfs/dbraw/zinc/65/85/72/888658572.db2.gz CPAYKWYHWNXZQU-DNQXCXABSA-N 0 3 417.557 4.132 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000473870111 888730205 /nfs/dbraw/zinc/73/02/05/888730205.db2.gz AZRVOFNLMSMRCN-MRXNPFEDSA-N 0 3 408.477 4.278 20 30 HIEDHN CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474627312 889489546 /nfs/dbraw/zinc/48/95/46/889489546.db2.gz DIQRPQNVXWFSIC-VWLOTQADSA-N 0 3 410.521 4.220 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000476942544 891883030 /nfs/dbraw/zinc/88/30/30/891883030.db2.gz MAQFHGFMVJZUOX-IBGZPJMESA-N 0 3 424.358 4.379 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841491 892899731 /nfs/dbraw/zinc/89/97/31/892899731.db2.gz AOUIAUJMFLGVAR-YJBOKZPZSA-N 0 3 407.436 4.079 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000478363982 893622745 /nfs/dbraw/zinc/62/27/45/893622745.db2.gz BCVMWGNLZQTSIZ-OAHLLOKOSA-N 0 3 402.901 4.185 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458926 894780089 /nfs/dbraw/zinc/78/00/89/894780089.db2.gz UYJGEZRYHXBQAJ-SFTDATJTSA-N 0 3 424.342 4.089 20 30 HIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000480909852 896265884 /nfs/dbraw/zinc/26/58/84/896265884.db2.gz HJEWUCQBQMLICV-MRXNPFEDSA-N 0 3 416.462 4.149 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000481123311 896449609 /nfs/dbraw/zinc/44/96/09/896449609.db2.gz XFNZRJJMZTVBAT-HSZRJFAPSA-N 0 3 409.578 4.216 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481647566 897033162 /nfs/dbraw/zinc/03/31/62/897033162.db2.gz UGTWGJXQVRSJPT-DEOSSOPVSA-N 0 3 423.582 4.290 20 30 HIEDHN Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000482015286 897416104 /nfs/dbraw/zinc/41/61/04/897416104.db2.gz IXOKNXFVYAXAAT-UHFFFAOYSA-N 0 3 402.542 4.067 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000482541350 898129410 /nfs/dbraw/zinc/12/94/10/898129410.db2.gz ZKCKGTZCZPQGSW-UHFFFAOYSA-N 0 3 407.848 4.017 20 30 HIEDHN CC(C)C[C@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058160 898732475 /nfs/dbraw/zinc/73/24/75/898732475.db2.gz IXTQBCHQCHVOHV-PMACEKPBSA-N 0 3 406.368 4.108 20 30 HIEDHN Cc1ccc(-c2noc([C@@H](C)NC3CCN(Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000483660343 899320920 /nfs/dbraw/zinc/32/09/20/899320920.db2.gz MFCPBFAUNGBMCO-QGZVFWFLSA-N 0 3 419.504 4.371 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349981 899899089 /nfs/dbraw/zinc/89/90/89/899899089.db2.gz KUWFACFIQHGUPB-QFBILLFUSA-N 0 3 401.469 4.074 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000484719471 900150809 /nfs/dbraw/zinc/15/08/09/900150809.db2.gz NKKWSNUJWMLORB-NZQKXSOJSA-N 0 3 409.578 4.387 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC ZINC000505773295 914441836 /nfs/dbraw/zinc/44/18/36/914441836.db2.gz YXCOETXPHVLAEY-OAHLLOKOSA-N 0 3 409.467 4.082 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)CC1 ZINC000485312132 900590384 /nfs/dbraw/zinc/59/03/84/900590384.db2.gz BQKAGDRTOCMCIH-UHFFFAOYSA-N 0 3 401.942 4.250 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471848 902843396 /nfs/dbraw/zinc/84/33/96/902843396.db2.gz XMXHLBUSMXLKOI-SFTDATJTSA-N 0 3 424.342 4.089 20 30 HIEDHN Cn1cc(CN2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490570247 904108101 /nfs/dbraw/zinc/10/81/01/904108101.db2.gz PVCIRUAOKKTWLD-DEOSSOPVSA-N 0 3 400.526 4.182 20 30 HIEDHN Cc1c(CN2CCSCC2)cccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491043107 904392376 /nfs/dbraw/zinc/39/23/76/904392376.db2.gz ZBJDELSIEFRUPU-UHFFFAOYSA-N 0 3 417.582 4.428 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1csc2ccccc12 ZINC000506178281 914834488 /nfs/dbraw/zinc/83/44/88/914834488.db2.gz TYXXDZFVJNIIKX-UHFFFAOYSA-N 0 3 406.555 4.089 20 30 HIEDHN C[C@@H]1[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 ZINC000494069310 905406676 /nfs/dbraw/zinc/40/66/76/905406676.db2.gz ODYHUHNDMAIUMH-WZONZLPQSA-N 0 3 412.493 4.138 20 30 HIEDHN C=CCc1cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc(OC)c1O ZINC000512445207 921166457 /nfs/dbraw/zinc/16/64/57/921166457.db2.gz XPVBNZBXVFHJSW-LJQANCHMSA-N 0 3 423.557 4.471 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000495162172 906279022 /nfs/dbraw/zinc/27/90/22/906279022.db2.gz PUEFNMYTAPZFDW-SFHVURJKSA-N 0 3 423.582 4.395 20 30 HIEDHN C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000512637500 921270369 /nfs/dbraw/zinc/27/03/69/921270369.db2.gz WKDPODDTSAIDDZ-OAHLLOKOSA-N 0 3 420.454 4.319 20 30 HIEDHN N#Cc1ccc(OC2CCN(CCCc3nc(-c4cccs4)no3)CC2)c(F)c1 ZINC000512801956 921314043 /nfs/dbraw/zinc/31/40/43/921314043.db2.gz PKOATTZJIIOXKZ-UHFFFAOYSA-N 0 3 412.490 4.285 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COc3cccc4ccccc43)CC2)c(F)c1 ZINC000512812601 921317838 /nfs/dbraw/zinc/31/78/38/921317838.db2.gz WKBIOHKNJVUZMK-HXUWFJFHSA-N 0 3 420.484 4.134 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000512828836 921333351 /nfs/dbraw/zinc/33/33/51/921333351.db2.gz RKLHHGAMOBTOCT-KRWDZBQOSA-N 0 3 422.422 4.163 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000499043091 908415840 /nfs/dbraw/zinc/41/58/40/908415840.db2.gz JYKLLUCNDXBKGO-PMACEKPBSA-N 0 3 415.459 4.271 20 30 HIEDHN COCCN(CCCC1(C#N)CCOCC1)Cc1cc(Br)cs1 ZINC000499731183 908892804 /nfs/dbraw/zinc/89/28/04/908892804.db2.gz FERDPIBLFUHPOV-UHFFFAOYSA-N 0 3 401.370 4.060 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000500066309 909532641 /nfs/dbraw/zinc/53/26/41/909532641.db2.gz VBPRPYLUHGLBGU-UHFFFAOYSA-N 0 3 412.509 4.470 20 30 HIEDHN N#CCCCOc1cccc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000500253396 909740073 /nfs/dbraw/zinc/74/00/73/909740073.db2.gz YKHMYKRPCVXLPL-INIZCTEOSA-N 0 3 401.869 4.057 20 30 HIEDHN C/C(=C\c1ccccc1C(F)(F)F)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370045 909818763 /nfs/dbraw/zinc/81/87/63/909818763.db2.gz ZXOQQAIYEIDSOK-AUFJSOOLSA-N 0 3 413.443 4.371 20 30 HIEDHN C=CCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000501751786 910810568 /nfs/dbraw/zinc/81/05/68/910810568.db2.gz MBMBQDYCVQVYTF-HXUWFJFHSA-N 0 3 408.546 4.483 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000502152945 911075672 /nfs/dbraw/zinc/07/56/72/911075672.db2.gz CWUFMUJTDNZVDL-REWPJTCUSA-N 0 3 409.578 4.072 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318011 911290798 /nfs/dbraw/zinc/29/07/98/911290798.db2.gz DUGMRFZQYDCSBF-CYFREDJKSA-N 0 3 400.526 4.192 20 30 HIEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000502900131 911891743 /nfs/dbraw/zinc/89/17/43/911891743.db2.gz XJWPDFKJKFHQCH-XMMPIXPASA-N 0 3 420.557 4.131 20 30 HIEDHN CCOc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc(Cl)c1OC ZINC000506279598 914880509 /nfs/dbraw/zinc/88/05/09/914880509.db2.gz JTHXIOMJDKQDBE-UHFFFAOYSA-N 0 3 413.949 4.327 20 30 HIEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000506310653 914900269 /nfs/dbraw/zinc/90/02/69/914900269.db2.gz XVJGTPZAAWCQIH-XMMPIXPASA-N 0 3 422.475 4.435 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1OCCc2ccccc21 ZINC000507242719 916002816 /nfs/dbraw/zinc/00/28/16/916002816.db2.gz NKERQUHGYZRANH-OAQYLSRUSA-N 0 3 423.582 4.463 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1OCCc2ccccc21 ZINC000507242718 916004180 /nfs/dbraw/zinc/00/41/80/916004180.db2.gz NKERQUHGYZRANH-NRFANRHFSA-N 0 3 423.582 4.463 20 30 HIEDHN Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443407 916212262 /nfs/dbraw/zinc/21/22/62/916212262.db2.gz QXONWFPPIFRWCA-IERDGZPVSA-N 0 3 424.932 4.022 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(C(F)(F)F)cs1 ZINC000507815458 916611338 /nfs/dbraw/zinc/61/13/38/916611338.db2.gz QWQVHAZQWFGTIJ-UHFFFAOYSA-N 0 3 417.526 4.260 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000508965146 917721862 /nfs/dbraw/zinc/72/18/62/917721862.db2.gz MKXVICPWJYJQHQ-UHFFFAOYSA-N 0 3 414.918 4.132 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509207984 917909651 /nfs/dbraw/zinc/90/96/51/917909651.db2.gz CQNLMUWUDZXCIE-HNNXBMFYSA-N 0 3 406.368 4.118 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000509372079 918037330 /nfs/dbraw/zinc/03/73/30/918037330.db2.gz LUQLZJYJXXFVPM-SFHVURJKSA-N 0 3 412.921 4.268 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511441925 920049727 /nfs/dbraw/zinc/04/97/27/920049727.db2.gz VYUKKDZBXSXLEZ-HXUWFJFHSA-N 0 3 413.459 4.326 20 30 HIEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN(CCc2cccs2)CC1 ZINC000511736199 920406037 /nfs/dbraw/zinc/40/60/37/920406037.db2.gz VEUDSPNUBSNFML-UHFFFAOYSA-N 0 3 414.481 4.134 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1C ZINC000511797257 920491078 /nfs/dbraw/zinc/49/10/78/920491078.db2.gz NDCRDMLUFNZOAU-GIFXNVAJSA-N 0 3 417.553 4.055 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)s2)cc1 ZINC000515217572 922998923 /nfs/dbraw/zinc/99/89/23/922998923.db2.gz PSEGCYOIHDNEBV-FQEVSTJZSA-N 0 3 417.538 4.002 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000515981517 923476838 /nfs/dbraw/zinc/47/68/38/923476838.db2.gz XUWJJVNBLXJDTB-QHCPKHFHSA-N 0 3 407.583 4.381 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 ZINC000517323865 924101866 /nfs/dbraw/zinc/10/18/66/924101866.db2.gz GASCJQBEJCQPTP-UHFFFAOYSA-N 0 3 408.546 4.330 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000517714457 926809827 /nfs/dbraw/zinc/80/98/27/926809827.db2.gz NLFMWUUEJIPZSO-GHTZIAJQSA-N 0 3 422.573 4.090 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(CCC)c32)CC1 ZINC000517982109 926928439 /nfs/dbraw/zinc/92/84/39/926928439.db2.gz BYMABNMEDOYZHP-UHFFFAOYSA-N 0 3 408.502 4.206 20 30 HIEDHN C=CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000518372838 927227153 /nfs/dbraw/zinc/22/71/53/927227153.db2.gz DWHZEUNOGUEGOW-UHFFFAOYSA-N 0 3 424.614 4.143 20 30 HIEDHN CN(C(=O)c1ccco1)c1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000518673092 927420595 /nfs/dbraw/zinc/42/05/95/927420595.db2.gz MZNURWJMKMMBOU-HNNXBMFYSA-N 0 3 413.355 4.460 20 30 HIEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849241 927553008 /nfs/dbraw/zinc/55/30/08/927553008.db2.gz VNXRGEGSXQDIBM-XLIONFOSSA-N 0 3 419.422 4.438 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)CC1 ZINC000519270606 927857250 /nfs/dbraw/zinc/85/72/50/927857250.db2.gz XERVYUJPBPKTDA-UHFFFAOYSA-N 0 3 414.933 4.308 20 30 HIEDHN C=CCc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc(OC)c1O ZINC000519721547 928056410 /nfs/dbraw/zinc/05/64/10/928056410.db2.gz HUORKQIUZSAQFE-INIZCTEOSA-N 0 3 409.452 4.261 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2COCc2ccccc2)CC1 ZINC000520691869 928738893 /nfs/dbraw/zinc/73/88/93/928738893.db2.gz DYIVBFLAXNXWAI-UHFFFAOYSA-N 0 3 407.558 4.243 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000520691671 928739075 /nfs/dbraw/zinc/73/90/75/928739075.db2.gz ACIJPNBBPGMERE-LJQANCHMSA-N 0 3 408.546 4.061 20 30 HIEDHN C=CCOc1ccccc1CNCCC(=O)N(C)Cc1ccccc1Br ZINC000521378386 929195725 /nfs/dbraw/zinc/19/57/25/929195725.db2.gz ISHWDTLBFLRQRL-UHFFFAOYSA-N 0 3 417.347 4.152 20 30 HIEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000521783389 929443188 /nfs/dbraw/zinc/44/31/88/929443188.db2.gz QYOBXOKGAYDVLA-UHFFFAOYSA-N 0 3 404.558 4.174 20 30 HIEDHN C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N(C)Cc1ccccc1 ZINC000524488424 929634932 /nfs/dbraw/zinc/63/49/32/929634932.db2.gz RTVMBACDKLSOAF-FQEVSTJZSA-N 0 3 413.521 4.388 20 30 HIEDHN N#CCCCOc1cccc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000530967361 930871184 /nfs/dbraw/zinc/87/11/84/930871184.db2.gz JXSMYXSJRLHSIH-GOSISDBHSA-N 0 3 417.431 4.283 20 30 HIEDHN O=C(NCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F ZINC000532496113 931460967 /nfs/dbraw/zinc/46/09/67/931460967.db2.gz OOFXYBUTUKZYRW-UHFFFAOYSA-N 0 3 408.317 4.383 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532519513 931472314 /nfs/dbraw/zinc/47/23/14/931472314.db2.gz AKUFIXACTNDJBA-IBGZPJMESA-N 0 3 411.889 4.149 20 30 HIEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CCC(C)(C)C)CC1 ZINC000532930430 931702063 /nfs/dbraw/zinc/70/20/63/931702063.db2.gz DGMHFJVDHQTXQZ-QGZVFWFLSA-N 0 3 416.635 4.269 20 30 HIEDHN CN1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1ccccc1 ZINC000534018868 932201429 /nfs/dbraw/zinc/20/14/29/932201429.db2.gz IXKWDXZKXJEJDX-LOSJGSFVSA-N 0 3 411.505 4.312 20 30 HIEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000536029730 933579475 /nfs/dbraw/zinc/57/94/75/933579475.db2.gz RRXXUPWQAXTQHK-LJQANCHMSA-N 0 3 407.301 4.036 20 30 HIEDHN C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478457 933790478 /nfs/dbraw/zinc/79/04/78/933790478.db2.gz TVXUJTDHJTWRKH-MGPUTAFESA-N 0 3 401.432 4.419 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176517 938537960 /nfs/dbraw/zinc/53/79/60/938537960.db2.gz TWESIHHFWBYJPA-VQIMIIECSA-N 0 3 400.544 4.163 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266928 938579061 /nfs/dbraw/zinc/57/90/61/938579061.db2.gz RRDUNQQAUPNAGY-LSDHHAIUSA-N 0 3 407.905 4.384 20 30 HIEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538277948 938582227 /nfs/dbraw/zinc/58/22/27/938582227.db2.gz WBTSQWMFHSMZAN-OALUTQOASA-N 0 3 408.521 4.412 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000538441175 938621958 /nfs/dbraw/zinc/62/19/58/938621958.db2.gz RWPVFAGZNVPZFC-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN C=CCN(Cc1ccc(OC)c(OC(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732247 938695576 /nfs/dbraw/zinc/69/55/76/938695576.db2.gz YDVSKBHXXYUIQS-OAHLLOKOSA-N 0 3 415.444 4.022 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259167 938828574 /nfs/dbraw/zinc/82/85/74/938828574.db2.gz ONRRMICPLQHUQM-RTWAWAEBSA-N 0 3 415.541 4.475 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2ccccc2-n2cccn2)c1C ZINC000539263559 938829582 /nfs/dbraw/zinc/82/95/82/938829582.db2.gz YMTLIAFJABEYNB-HXUWFJFHSA-N 0 3 401.514 4.087 20 30 HIEDHN CCCC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000539301982 938837067 /nfs/dbraw/zinc/83/70/67/938837067.db2.gz VLOCLWXNEARARG-QFIPXVFZSA-N 0 3 417.513 4.212 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339273 938844577 /nfs/dbraw/zinc/84/45/77/938844577.db2.gz PNFSKRQAPATFIC-NHCUHLMSSA-N 0 3 415.541 4.475 20 30 HIEDHN N#CC1(c2ccc(C(=O)Nc3ccnn3[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC000539666810 938897303 /nfs/dbraw/zinc/89/73/03/938897303.db2.gz SGXHBXIZPZKUCS-JOCHJYFZSA-N 0 3 411.509 4.138 20 30 HIEDHN C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000540389532 939227429 /nfs/dbraw/zinc/22/74/29/939227429.db2.gz NDXQYPWAXZPNSK-KRWDZBQOSA-N 0 3 407.905 4.123 20 30 HIEDHN C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778779 939369114 /nfs/dbraw/zinc/36/91/14/939369114.db2.gz HUORLAWUQKJBPG-QRWLVFNGSA-N 0 3 401.432 4.419 20 30 HIEDHN CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCc2ccccc2C1 ZINC000541442283 939516848 /nfs/dbraw/zinc/51/68/48/939516848.db2.gz OLMHPIPHCJIFIO-UHFFFAOYSA-N 0 3 402.542 4.069 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542072062 939702687 /nfs/dbraw/zinc/70/26/87/939702687.db2.gz CNXKGJAAPRHRTO-UHFFFAOYSA-N 0 3 419.872 4.457 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1 ZINC000542703322 939855447 /nfs/dbraw/zinc/85/54/47/939855447.db2.gz OBEBZSXBUFPDOH-UHFFFAOYSA-N 0 3 421.438 4.346 20 30 HIEDHN C[C@@H](c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1)N1CCOCC1 ZINC000542832505 939861900 /nfs/dbraw/zinc/86/19/00/939861900.db2.gz JIFVBHCLTNFTMH-FQEVSTJZSA-N 0 3 404.558 4.028 20 30 HIEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000543760579 940177192 /nfs/dbraw/zinc/17/71/92/940177192.db2.gz RRGMFBVNUUGMSY-UHFFFAOYSA-N 0 3 400.320 4.406 20 30 HIEDHN C=CCN1CCC(NC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)CC1 ZINC000563921351 945326348 /nfs/dbraw/zinc/32/63/48/945326348.db2.gz IADYRXQHWTZPPK-UHFFFAOYSA-N 0 3 401.551 4.302 20 30 HIEDHN N#CC(C(=O)c1ccccc1OCc1cccc(Br)c1)c1ccncn1 ZINC000546153729 940715256 /nfs/dbraw/zinc/71/52/56/940715256.db2.gz SVPXHMDWSDDLCK-QGZVFWFLSA-N 0 3 408.255 4.308 20 30 HIEDHN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CCCC2)CC1 ZINC000549331611 941180691 /nfs/dbraw/zinc/18/06/91/941180691.db2.gz MYKGLDHMJOPTMR-UHFFFAOYSA-N 0 3 415.969 4.248 20 30 HIEDHN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549668201 941203746 /nfs/dbraw/zinc/20/37/46/941203746.db2.gz QAIJNTJPBJKHEF-GOTSBHOMSA-N 0 3 421.589 4.164 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(C(F)(F)F)cc1 ZINC000549699973 941205059 /nfs/dbraw/zinc/20/50/59/941205059.db2.gz QVMNQQHTOKMDTB-SFHVURJKSA-N 0 3 404.436 4.093 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC[C@@H](Oc3ccc(Cl)cc3)C2)sc2c1CCC2 ZINC000550393511 941321662 /nfs/dbraw/zinc/32/16/62/941321662.db2.gz NVQALNZIDGEGPR-MRXNPFEDSA-N 0 3 415.946 4.244 20 30 HIEDHN N#Cc1ccc(NC(=O)CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC000551417354 941474929 /nfs/dbraw/zinc/47/49/29/941474929.db2.gz AWGXWBZKTSQCIX-NRFANRHFSA-N 0 3 417.431 4.273 20 30 HIEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276725 941620796 /nfs/dbraw/zinc/62/07/96/941620796.db2.gz HWJMLUOMLGLCFV-VQTJNVASSA-N 0 3 417.431 4.299 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN([C@H](C)CO)C2CCCC2)c1C#N ZINC000553918137 941997724 /nfs/dbraw/zinc/99/77/24/941997724.db2.gz SWLRLWQIODEEGX-MRXNPFEDSA-N 0 3 400.567 4.046 20 30 HIEDHN COc1cccc([C@@H]2[C@@H](NCc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131121 942395754 /nfs/dbraw/zinc/39/57/54/942395754.db2.gz ZIIXNGYSQRTNLP-RBBKRZOGSA-N 0 3 413.468 4.236 20 30 HIEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc(Cl)c1Br ZINC000556569175 942901716 /nfs/dbraw/zinc/90/17/16/942901716.db2.gz FRIBDTFAVQRIAQ-LBPRGKRZSA-N 0 3 407.699 4.219 20 30 HIEDHN C[C@H](N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000556883948 942950300 /nfs/dbraw/zinc/95/03/00/942950300.db2.gz IKHUEKBKFXMZGL-WQTXXOFMSA-N 0 3 413.468 4.190 20 30 HIEDHN COc1cc(OC)c2ncc(C#N)c(NC3CCN([C@@H](C)c4ccncc4)CC3)c2c1 ZINC000557641985 943245622 /nfs/dbraw/zinc/24/56/22/943245622.db2.gz BBPNVVABOQSPEE-INIZCTEOSA-N 0 3 417.513 4.156 20 30 HIEDHN N#CCc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000561076604 944430067 /nfs/dbraw/zinc/43/00/67/944430067.db2.gz ROMOWYBTOGESAT-SANMLTNESA-N 0 3 424.548 4.455 20 30 HIEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046587 944909322 /nfs/dbraw/zinc/90/93/22/944909322.db2.gz JAXILJLLMLGKKJ-AQKFKSFVSA-N 0 3 422.598 4.251 20 30 HIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433089 945581111 /nfs/dbraw/zinc/58/11/11/945581111.db2.gz HINSOVCZFYLYBH-SFTDATJTSA-N 0 3 413.443 4.345 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C2CCC(F)(F)CC2)c1C#N ZINC000565061924 945765518 /nfs/dbraw/zinc/76/55/18/945765518.db2.gz PVZMCHHPGXXZKC-UHFFFAOYSA-N 0 3 400.473 4.414 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccco1 ZINC000565382788 945821254 /nfs/dbraw/zinc/82/12/54/945821254.db2.gz WEGXEXBYQDAGQK-JXFKEZNVSA-N 0 3 404.470 4.198 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccco1 ZINC000565382790 945821475 /nfs/dbraw/zinc/82/14/75/945821475.db2.gz WEGXEXBYQDAGQK-OXQOHEQNSA-N 0 3 404.470 4.198 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615921 945855147 /nfs/dbraw/zinc/85/51/47/945855147.db2.gz ZXOHDZGDWLVJQO-GAJHUEQPSA-N 0 3 411.571 4.317 20 30 HIEDHN CC[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000568333704 946514258 /nfs/dbraw/zinc/51/42/58/946514258.db2.gz KWYDYCRCAAPJPX-OAQYLSRUSA-N 0 3 402.498 4.168 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)N(C)C)cc1 ZINC000568699894 946667591 /nfs/dbraw/zinc/66/75/91/946667591.db2.gz MNAQJFVGWZPHAO-QHCPKHFHSA-N 0 3 415.497 4.478 20 30 HIEDHN COc1ccc(C[C@H]2CCCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812551 946710736 /nfs/dbraw/zinc/71/07/36/946710736.db2.gz REQMPKALTXUEFK-IFMALSPDSA-N 0 3 405.542 4.285 20 30 HIEDHN N#Cc1ccc(N2CCC(C(=O)N(CCN3CCCC3)c3ccccc3)CC2)c(F)c1 ZINC000569150176 946824734 /nfs/dbraw/zinc/82/47/34/946824734.db2.gz KUPFYBWTZGXEIA-UHFFFAOYSA-N 0 3 420.532 4.043 20 30 HIEDHN COc1cc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1C#N ZINC000574123066 948371189 /nfs/dbraw/zinc/37/11/89/948371189.db2.gz IRDWPDKDRXOZFU-UHFFFAOYSA-N 0 3 409.493 4.163 20 30 HIEDHN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164627204 719080620 /nfs/dbraw/zinc/08/06/20/719080620.db2.gz PRYRESSUANGVLI-MSOLQXFVSA-N 0 3 402.876 4.252 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000045625726 848704768 /nfs/dbraw/zinc/70/47/68/848704768.db2.gz JSTCYNMYTVBCTR-MRXNPFEDSA-N 0 3 418.463 4.411 20 30 HIEDHN Cc1ccccc1CN1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000052496325 849589184 /nfs/dbraw/zinc/58/91/84/849589184.db2.gz TZWCBAGULAUTNG-UHFFFAOYSA-N 0 3 413.572 4.328 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000056853651 850504210 /nfs/dbraw/zinc/50/42/10/850504210.db2.gz MAPBQYJPJICQTI-INIZCTEOSA-N 0 3 418.463 4.411 20 30 HIEDHN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000063550518 851713275 /nfs/dbraw/zinc/71/32/75/851713275.db2.gz HYQKMICEVXJVDJ-QFIPXVFZSA-N 0 3 410.562 4.329 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(c3ccccc3)CCC2)c1C#N ZINC000064343640 851875577 /nfs/dbraw/zinc/87/55/77/851875577.db2.gz XAQVVEOGPRCDOR-UHFFFAOYSA-N 0 3 402.498 4.225 20 30 HIEDHN C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)s1 ZINC000437108487 862296322 /nfs/dbraw/zinc/29/63/22/862296322.db2.gz NSOXQFNLZHSPNH-XGNXJENSSA-N 0 3 407.337 4.213 20 30 HIEDHN Cc1ccc(-c2nc(C)c(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)s2)o1 ZINC000065930513 852321028 /nfs/dbraw/zinc/32/10/28/852321028.db2.gz SEXJOMGXKIZJKU-UHFFFAOYSA-N 0 3 408.527 4.096 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccc1Cl ZINC000065931305 852322639 /nfs/dbraw/zinc/32/26/39/852322639.db2.gz BNOPJIZOLNJTKH-UHFFFAOYSA-N 0 3 401.963 4.284 20 30 HIEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000065984815 852341602 /nfs/dbraw/zinc/34/16/02/852341602.db2.gz GRVXEVHROUFMTM-UHFFFAOYSA-N 0 3 406.574 4.400 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000437178776 862373260 /nfs/dbraw/zinc/37/32/60/862373260.db2.gz ATZGHNDEVGCUER-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000138691442 853394390 /nfs/dbraw/zinc/39/43/90/853394390.db2.gz ULYLZYCRJKGCDA-NRFANRHFSA-N 0 3 414.461 4.386 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1OC ZINC000146061150 853562241 /nfs/dbraw/zinc/56/22/41/853562241.db2.gz MNOLYOQIOLFYGW-UHFFFAOYSA-N 0 3 412.555 4.104 20 30 HIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000147473989 853588338 /nfs/dbraw/zinc/58/83/38/853588338.db2.gz WRFVELOIIPBMEI-HIFRSBDPSA-N 0 3 407.455 4.418 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)Nc3cc(C#N)ccc3OC(C)C)c(C)c2)CC1 ZINC000195701247 853767688 /nfs/dbraw/zinc/76/76/88/853767688.db2.gz WLSDTFIEQPYNGH-UHFFFAOYSA-N 0 3 421.545 4.440 20 30 HIEDHN C=CCNC(=O)Nc1ccc(NCc2ccccc2N2CCN(CCC)CC2)cc1 ZINC000236804664 853925991 /nfs/dbraw/zinc/92/59/91/853925991.db2.gz STNBZBQMGSCQSC-UHFFFAOYSA-N 0 3 407.562 4.138 20 30 HIEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000237494428 854045206 /nfs/dbraw/zinc/04/52/06/854045206.db2.gz SSRQHPLOMBRISV-IBGZPJMESA-N 0 3 410.537 4.111 20 30 HIEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237602372 854060878 /nfs/dbraw/zinc/06/08/78/854060878.db2.gz LDDCCUFXQHUHQZ-MSOLQXFVSA-N 0 3 400.482 4.476 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 ZINC000237853254 854108617 /nfs/dbraw/zinc/10/86/17/854108617.db2.gz RVUYZXDZLKJIKV-UHFFFAOYSA-N 0 3 400.461 4.078 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(N3CCCCC3=O)cc2)c(-c2ccccc2)n1 ZINC000238047101 854137471 /nfs/dbraw/zinc/13/74/71/854137471.db2.gz NYOIAOATZBQKJN-UHFFFAOYSA-N 0 3 413.525 4.270 20 30 HIEDHN C=CCN1CCC(Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1 ZINC000301386520 854378481 /nfs/dbraw/zinc/37/84/81/854378481.db2.gz CSHZNNQUDJBQQB-UHFFFAOYSA-N 0 3 413.736 4.255 20 30 HIEDHN COc1ccc([C@@H](CNc2ccc(C#N)cc2Br)N(C)C)cc1OC ZINC000302601021 854590280 /nfs/dbraw/zinc/59/02/80/854590280.db2.gz YIYFRLZOSYXVJN-QGZVFWFLSA-N 0 3 404.308 4.053 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000303302650 854861288 /nfs/dbraw/zinc/86/12/88/854861288.db2.gz CZKDIWSYOPNWSA-KRWDZBQOSA-N 0 3 418.632 4.421 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000303929020 855298074 /nfs/dbraw/zinc/29/80/74/855298074.db2.gz WVPCKZCKGPWBEC-QHCPKHFHSA-N 0 3 418.585 4.147 20 30 HIEDHN N#CC1(CCCN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CCOCC1 ZINC000410422113 855990324 /nfs/dbraw/zinc/99/03/24/855990324.db2.gz VIMSGNKUIHTYQL-UHFFFAOYSA-N 0 3 421.541 4.275 20 30 HIEDHN C=C(C)COc1cccc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000429058139 857482624 /nfs/dbraw/zinc/48/26/24/857482624.db2.gz CXSOYOHPVUOUPL-WOJBJXKFSA-N 0 3 415.578 4.385 20 30 HIEDHN C=CCn1c(SC[C@@H]2CN(Cc3ccccc3)CCCO2)nnc1-c1ccco1 ZINC000430114261 858038032 /nfs/dbraw/zinc/03/80/32/858038032.db2.gz BXZZCSPKEVCGCW-IBGZPJMESA-N 0 3 410.543 4.107 20 30 HIEDHN CCc1nc(COc2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2)no1 ZINC000430620130 858238473 /nfs/dbraw/zinc/23/84/73/858238473.db2.gz BTWBZRWWUSDTRA-OAHLLOKOSA-N 0 3 410.499 4.455 20 30 HIEDHN C=CCN1C(=O)N(C[C@H]2CCCN(Cc3cccs3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431165828 858481874 /nfs/dbraw/zinc/48/18/74/858481874.db2.gz HHAUWKQEGWDOJA-UNMCSNQZSA-N 0 3 423.582 4.022 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1 ZINC000432996018 859469113 /nfs/dbraw/zinc/46/91/13/859469113.db2.gz ZBRVPFAIVQJLPU-UHFFFAOYSA-N 0 3 407.383 4.469 20 30 HIEDHN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433016870 859479592 /nfs/dbraw/zinc/47/95/92/859479592.db2.gz VHCJOUWHJJBYQM-GOTSBHOMSA-N 0 3 421.541 4.392 20 30 HIEDHN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030261 859489366 /nfs/dbraw/zinc/48/93/66/859489366.db2.gz JGEDTDJFICJUEJ-VXKWHMMOSA-N 0 3 421.541 4.392 20 30 HIEDHN CN(Cc1cc(Br)cs1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433036168 859493083 /nfs/dbraw/zinc/49/30/83/859493083.db2.gz RVXATRORIGMYDE-GOSISDBHSA-N 0 3 420.376 4.494 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000434129327 860129473 /nfs/dbraw/zinc/12/94/73/860129473.db2.gz WOROFIVEGDFQHU-UHFFFAOYSA-N 0 3 410.356 4.398 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000434666060 860451560 /nfs/dbraw/zinc/45/15/60/860451560.db2.gz QPMPEVPBOQYOIY-UHFFFAOYSA-N 0 3 413.880 4.274 20 30 HIEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(Br)cc1 ZINC000434837501 860514537 /nfs/dbraw/zinc/51/45/37/860514537.db2.gz UIBJKCZZQKUBDV-UHFFFAOYSA-N 0 3 410.319 4.253 20 30 HIEDHN N#CCCn1cc(CN2CCC(OCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435130473 860655340 /nfs/dbraw/zinc/65/53/40/860655340.db2.gz RXUKDBJMVQUDGH-UHFFFAOYSA-N 0 3 401.514 4.040 20 30 HIEDHN C=CCC[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccc1 ZINC000435759188 861037734 /nfs/dbraw/zinc/03/77/34/861037734.db2.gz HERAITCUFPBXKH-DEOSSOPVSA-N 0 3 406.574 4.437 20 30 HIEDHN CCCc1c(NC(=O)Nc2cccc(CN(C)C)c2)cnn1-c1cccc(C#N)c1 ZINC000438913284 864392433 /nfs/dbraw/zinc/39/24/33/864392433.db2.gz RWSYEDXJMWFMLR-UHFFFAOYSA-N 0 3 402.502 4.402 20 30 HIEDHN COc1cc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)ccc1C#N ZINC000440798287 865919943 /nfs/dbraw/zinc/91/99/43/865919943.db2.gz HDGAXLUKRIJWJZ-KRWDZBQOSA-N 0 3 403.482 4.400 20 30 HIEDHN CC[C@@H](C)[C@@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808232 865926487 /nfs/dbraw/zinc/92/64/87/865926487.db2.gz PVXOOBZSQAXEEF-HOYKHHGWSA-N 0 3 420.557 4.310 20 30 HIEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441056528 866135501 /nfs/dbraw/zinc/13/55/01/866135501.db2.gz BXAWWARYTDQRSK-AWEZNQCLSA-N 0 3 408.449 4.242 20 30 HIEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000442980592 867776285 /nfs/dbraw/zinc/77/62/85/867776285.db2.gz RQEMAGVDDXPOOE-FQEVSTJZSA-N 0 3 409.368 4.011 20 30 HIEDHN Cc1cc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1C#N ZINC000443974602 868503141 /nfs/dbraw/zinc/50/31/41/868503141.db2.gz VIQANISADMGMOZ-UHFFFAOYSA-N 0 3 415.516 4.017 20 30 HIEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248079 868694754 /nfs/dbraw/zinc/69/47/54/868694754.db2.gz VWEVALJHIUZIOS-GOTSBHOMSA-N 0 3 413.525 4.259 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445883761 869871720 /nfs/dbraw/zinc/87/17/20/869871720.db2.gz FUYDJRMWTVCGDF-SFHVURJKSA-N 0 3 406.452 4.471 20 30 HIEDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000446421086 870332022 /nfs/dbraw/zinc/33/20/22/870332022.db2.gz NYHPSOIKQRWILF-UHFFFAOYSA-N 0 3 403.482 4.342 20 30 HIEDHN CC[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537545 871405359 /nfs/dbraw/zinc/40/53/59/871405359.db2.gz WRVRDQHZDWGEKX-WZONZLPQSA-N 0 3 411.571 4.220 20 30 HIEDHN CC[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447585131 871494331 /nfs/dbraw/zinc/49/43/31/871494331.db2.gz IJBZJNRCNZEMMB-FQEVSTJZSA-N 0 3 414.347 4.398 20 30 HIEDHN CCc1ccc(-c2nnc(N3CCCN(Cc4ccc(C#N)cc4)CC3)n2CC)cc1 ZINC000460309278 872896278 /nfs/dbraw/zinc/89/62/78/872896278.db2.gz JHMGGCQYQZJZDF-UHFFFAOYSA-N 0 3 414.557 4.111 20 30 HIEDHN C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460555651 873273851 /nfs/dbraw/zinc/27/38/51/873273851.db2.gz GCIIBEZPKPZOAM-UHFFFAOYSA-N 0 3 406.578 4.027 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cncc(C(F)(F)F)c1 ZINC000460884813 873797067 /nfs/dbraw/zinc/79/70/67/873797067.db2.gz ZFHJCIQGBOKJEN-UHFFFAOYSA-N 0 3 411.497 4.199 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CC1 ZINC000461113981 874037532 /nfs/dbraw/zinc/03/75/32/874037532.db2.gz OYVCCOKYKXXMHG-UHFFFAOYSA-N 0 3 405.970 4.485 20 30 HIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468843825 882887059 /nfs/dbraw/zinc/88/70/59/882887059.db2.gz FWZIJBUTJMSQIK-UHFFFAOYSA-N 0 3 406.505 4.288 20 30 HIEDHN CCCN1CCN(c2ccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000462319220 875439822 /nfs/dbraw/zinc/43/98/22/875439822.db2.gz ZPVNBAGWTRJZRQ-IBGZPJMESA-N 0 3 420.557 4.231 20 30 HIEDHN COc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OCCCC#N ZINC000463035997 876059019 /nfs/dbraw/zinc/05/90/19/876059019.db2.gz RPFYXPQVBQRTQK-RUZDIDTESA-N 0 3 408.542 4.195 20 30 HIEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203728 876265029 /nfs/dbraw/zinc/26/50/29/876265029.db2.gz QKFYPERLRLLBCP-YCZSINBZSA-N 0 3 417.981 4.238 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000463210638 876270238 /nfs/dbraw/zinc/27/02/38/876270238.db2.gz OIKSLFBBGSDDDH-FCEUIQTBSA-N 0 3 417.981 4.301 20 30 HIEDHN FC(F)C(F)(F)COCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000469000092 883065189 /nfs/dbraw/zinc/06/51/89/883065189.db2.gz QCGAEUPLFZIBEH-UHFFFAOYSA-N 0 3 416.381 4.130 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC1 ZINC000464363028 877560473 /nfs/dbraw/zinc/56/04/73/877560473.db2.gz DRMKTKPVHPMIOT-GOSISDBHSA-N 0 3 414.550 4.276 20 30 HIEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000464746845 877980113 /nfs/dbraw/zinc/98/01/13/877980113.db2.gz HBNDDEPLVZYTJV-BGYRXZFFSA-N 0 3 421.541 4.278 20 30 HIEDHN CCc1nsc(N2CCCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000464859884 878141496 /nfs/dbraw/zinc/14/14/96/878141496.db2.gz PJFSCSHZZGCXIP-UHFFFAOYSA-N 0 3 403.555 4.351 20 30 HIEDHN C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000464895323 878198928 /nfs/dbraw/zinc/19/89/28/878198928.db2.gz QUDGDQHNJBZYRC-OAQYLSRUSA-N 0 3 405.542 4.230 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000465427437 878858074 /nfs/dbraw/zinc/85/80/74/878858074.db2.gz CPLOBRGWMBOAIJ-HKBOAZHASA-N 0 3 408.571 4.366 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466220182 879916046 /nfs/dbraw/zinc/91/60/46/879916046.db2.gz COIWMTNXHAQEDI-IBGZPJMESA-N 0 3 424.358 4.475 20 30 HIEDHN C=CCN1CCC(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000469148121 883244526 /nfs/dbraw/zinc/24/45/26/883244526.db2.gz KXLCCOIUQQNAFG-UHFFFAOYSA-N 0 3 423.344 4.133 20 30 HIEDHN C=CCc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC ZINC000470658313 885082682 /nfs/dbraw/zinc/08/26/82/885082682.db2.gz QKFCAJHKEJITEM-QFIPXVFZSA-N 0 3 408.542 4.169 20 30 HIEDHN CN(C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470720762 885166708 /nfs/dbraw/zinc/16/67/08/885166708.db2.gz ZBMJYZHKGUOTLF-HSZRJFAPSA-N 0 3 422.598 4.097 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000504066311 912968743 /nfs/dbraw/zinc/96/87/43/912968743.db2.gz FQSPJOZKLLPNIG-OAQYLSRUSA-N 0 3 406.555 4.256 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC(C(F)(F)F)CC2)c1C#N ZINC000472242874 887053229 /nfs/dbraw/zinc/05/32/29/887053229.db2.gz PZHRRSZUUXLXNX-UHFFFAOYSA-N 0 3 422.451 4.221 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000473822934 888654937 /nfs/dbraw/zinc/65/49/37/888654937.db2.gz PXIWHKKSJGAOGX-UHFFFAOYSA-N 0 3 420.395 4.411 20 30 HIEDHN CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475312400 890227843 /nfs/dbraw/zinc/22/78/43/890227843.db2.gz XZBAFCRSOVECNV-JOCHJYFZSA-N 0 3 412.493 4.092 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475812989 890747689 /nfs/dbraw/zinc/74/76/89/890747689.db2.gz TWLFBPOEBNCCQF-UHFFFAOYSA-N 0 3 405.527 4.277 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477239453 892182624 /nfs/dbraw/zinc/18/26/24/892182624.db2.gz ULQFKEJCJDLFPD-UHFFFAOYSA-N 0 3 400.400 4.295 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(OC)ccc1Cl ZINC000478537523 893838389 /nfs/dbraw/zinc/83/83/89/893838389.db2.gz WERCZFDJVGBYPH-UHFFFAOYSA-N 0 3 406.983 4.447 20 30 HIEDHN COc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000479929663 895277148 /nfs/dbraw/zinc/27/71/48/895277148.db2.gz URHTUPUVYKWLEE-UHFFFAOYSA-N 0 3 400.404 4.276 20 30 HIEDHN N#Cc1ccsc1NC(=O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC000505455610 914124506 /nfs/dbraw/zinc/12/45/06/914124506.db2.gz OFNJOTQLUWIAEH-UHFFFAOYSA-N 0 3 404.333 4.380 20 30 HIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481737169 897131848 /nfs/dbraw/zinc/13/18/48/897131848.db2.gz OMHBPSWLCQVLCV-PKTZIBPZSA-N 0 3 422.573 4.147 20 30 HIEDHN N#Cc1cccc(CNC(=O)CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000505463875 914134823 /nfs/dbraw/zinc/13/48/23/914134823.db2.gz GIXGBRPUNIHOIH-UHFFFAOYSA-N 0 3 401.432 4.252 20 30 HIEDHN N#Cc1ccc(CNC(=O)CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC000505493732 914177643 /nfs/dbraw/zinc/17/76/43/914177643.db2.gz FEBHHXCZPNNVGR-UHFFFAOYSA-N 0 3 401.432 4.252 20 30 HIEDHN C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](c1ccccc1)N(C)C ZINC000505634079 914334324 /nfs/dbraw/zinc/33/43/24/914334324.db2.gz QQGTZPMHCHDMLA-HXOBKFHXSA-N 0 3 403.482 4.151 20 30 HIEDHN CC(C)[C@](C)(NCC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000484336492 899888744 /nfs/dbraw/zinc/88/87/44/899888744.db2.gz ZYAVEPQTPBTFIL-NRFANRHFSA-N 0 3 414.347 4.098 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465341 899959463 /nfs/dbraw/zinc/95/94/63/899959463.db2.gz MWPSCABMTZFDQC-WFASDCNBSA-N 0 3 410.396 4.301 20 30 HIEDHN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488677937 902939257 /nfs/dbraw/zinc/93/92/57/902939257.db2.gz QMSIZKOZJYFULD-UHFFFAOYSA-N 0 3 411.505 4.434 20 30 HIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491039405 904390701 /nfs/dbraw/zinc/39/07/01/904390701.db2.gz QUICXXYNQFQRRX-UHFFFAOYSA-N 0 3 417.582 4.428 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000506244499 914861111 /nfs/dbraw/zinc/86/11/11/914861111.db2.gz CEGKETCRJRAYIC-UHFFFAOYSA-N 0 3 412.537 4.240 20 30 HIEDHN C=CCOc1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000512532095 921220217 /nfs/dbraw/zinc/22/02/17/921220217.db2.gz LPIXRILTTRVSHZ-UHFFFAOYSA-N 0 3 404.304 4.465 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)c1 ZINC000512605289 921258174 /nfs/dbraw/zinc/25/81/74/921258174.db2.gz ZDMFPADIUPANQU-UHFFFAOYSA-N 0 3 417.431 4.350 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)ccc1OC ZINC000512610007 921260360 /nfs/dbraw/zinc/26/03/60/921260360.db2.gz URQSKYWHWWOSBV-UHFFFAOYSA-N 0 3 410.514 4.206 20 30 HIEDHN COc1ccc(CC[C@H]2CCCCN2Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000512632990 921268570 /nfs/dbraw/zinc/26/85/70/921268570.db2.gz KERPUAOZCKDNBV-HXUWFJFHSA-N 0 3 404.514 4.210 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000512647148 921273517 /nfs/dbraw/zinc/27/35/17/921273517.db2.gz BFDOKGHLRMPMCY-UHFFFAOYSA-N 0 3 402.498 4.092 20 30 HIEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000512951347 921434441 /nfs/dbraw/zinc/43/44/41/921434441.db2.gz OXBFLKIWBMAWJI-HNNXBMFYSA-N 0 3 411.870 4.496 20 30 HIEDHN N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000513112458 921558579 /nfs/dbraw/zinc/55/85/79/921558579.db2.gz AFJFFGQWZNHMHR-DEOSSOPVSA-N 0 3 411.505 4.142 20 30 HIEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CCC(C)(C)C)CC2)cc1C ZINC000501341210 910478259 /nfs/dbraw/zinc/47/82/59/910478259.db2.gz OMHPYOARCLSYCN-UHFFFAOYSA-N 0 3 421.589 4.275 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501807559 910857912 /nfs/dbraw/zinc/85/79/12/910857912.db2.gz BBZFLLHXFCPHFH-OAQYLSRUSA-N 0 3 415.459 4.193 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000502291698 911248563 /nfs/dbraw/zinc/24/85/63/911248563.db2.gz JKAIBVJEBDZBDY-XMMPIXPASA-N 0 3 400.526 4.022 20 30 HIEDHN N#Cc1cccc(OCCCN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502310238 911274805 /nfs/dbraw/zinc/27/48/05/911274805.db2.gz COFCEJKSEJGRCK-FQEVSTJZSA-N 0 3 421.545 4.059 20 30 HIEDHN Cc1nn(Cc2ccccc2)c(C)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506282390 914881941 /nfs/dbraw/zinc/88/19/41/914881941.db2.gz WCTHRTRFPFMBGC-UHFFFAOYSA-N 0 3 413.569 4.128 20 30 HIEDHN N#Cc1cccc(OCCN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000506495737 915106075 /nfs/dbraw/zinc/10/60/75/915106075.db2.gz QRQQVNLYSOESMG-UHFFFAOYSA-N 0 3 401.869 4.080 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1OCCc2ccccc21 ZINC000507234260 915992749 /nfs/dbraw/zinc/99/27/49/915992749.db2.gz PWVVRBFQBJNIST-HXUWFJFHSA-N 0 3 409.555 4.073 20 30 HIEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424202 916195892 /nfs/dbraw/zinc/19/58/92/916195892.db2.gz TVSHAOXNJJTBIJ-FOIQADDNSA-N 0 3 417.538 4.231 20 30 HIEDHN C=CCn1c(-c2ccccc2C)nnc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508906721 917662222 /nfs/dbraw/zinc/66/22/22/917662222.db2.gz IEFGACMPZZBAFE-SFTDATJTSA-N 0 3 423.605 4.155 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC1CCCC1 ZINC000510410975 918880203 /nfs/dbraw/zinc/88/02/03/918880203.db2.gz JBLVYFQZFYJTKS-UHFFFAOYSA-N 0 3 406.530 4.475 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511793309 920488108 /nfs/dbraw/zinc/48/81/08/920488108.db2.gz QBAWHXSEWWMTKC-SDHSZQHLSA-N 0 3 417.553 4.055 20 30 HIEDHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)C(C#N)c3nc4ccccc4n3C)c12 ZINC000513672227 921995066 /nfs/dbraw/zinc/99/50/66/921995066.db2.gz PUECRSPMMKYYBH-SFHVURJKSA-N 0 3 420.476 4.321 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000514003120 922328575 /nfs/dbraw/zinc/32/85/75/922328575.db2.gz HRIXFZYZAMRNJK-GOSISDBHSA-N 0 3 405.970 4.181 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2Cc2ccccc2C)cc1 ZINC000514173833 922510994 /nfs/dbraw/zinc/51/09/94/922510994.db2.gz HRRYNNZUKDCKKA-QHCPKHFHSA-N 0 3 405.542 4.348 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000516270357 923638451 /nfs/dbraw/zinc/63/84/51/923638451.db2.gz UUDYTEWWTUKGDF-IBGZPJMESA-N 0 3 400.463 4.494 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000517341980 924115943 /nfs/dbraw/zinc/11/59/43/924115943.db2.gz WXFASZJYLAOWPZ-UHFFFAOYSA-N 0 3 402.926 4.021 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540117 924254001 /nfs/dbraw/zinc/25/40/01/924254001.db2.gz NTLQHGQJWGWPPC-UTKZUKDTSA-N 0 3 415.459 4.192 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000517751433 926821661 /nfs/dbraw/zinc/82/16/61/926821661.db2.gz DXXQJEYQRNUNAF-BJKOFHAPSA-N 0 3 404.558 4.358 20 30 HIEDHN CCN1CCN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)c(C)c2)CC1 ZINC000517976908 926922532 /nfs/dbraw/zinc/92/25/32/926922532.db2.gz AHCRYBOVTCRPDY-UHFFFAOYSA-N 0 3 403.574 4.090 20 30 HIEDHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849242 927553551 /nfs/dbraw/zinc/55/35/51/927553551.db2.gz VNXRGEGSXQDIBM-YLJYHZDGSA-N 0 3 419.422 4.438 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)CC1 ZINC000519285843 927863965 /nfs/dbraw/zinc/86/39/65/927863965.db2.gz NZDQZCGTCXOBSF-UHFFFAOYSA-N 0 3 407.558 4.448 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)CC1 ZINC000521589136 929314099 /nfs/dbraw/zinc/31/40/99/929314099.db2.gz UPXSBOGXQZAIBM-UHFFFAOYSA-N 0 3 421.467 4.362 20 30 HIEDHN C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N(C)Cc1ccccc1 ZINC000524488425 929635274 /nfs/dbraw/zinc/63/52/74/929635274.db2.gz RTVMBACDKLSOAF-HXUWFJFHSA-N 0 3 413.521 4.388 20 30 HIEDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524521717 929663870 /nfs/dbraw/zinc/66/38/70/929663870.db2.gz BWCZPWCFEVTXNO-UHFFFAOYSA-N 0 3 415.493 4.460 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000525399776 930219953 /nfs/dbraw/zinc/21/99/53/930219953.db2.gz BEDPMJBKELWCBE-HXUWFJFHSA-N 0 3 422.598 4.097 20 30 HIEDHN C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952194 930492689 /nfs/dbraw/zinc/49/26/89/930492689.db2.gz NWZPCQPAQNBJMV-SJLPKXTDSA-N 0 3 424.595 4.022 20 30 HIEDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694827 931157157 /nfs/dbraw/zinc/15/71/57/931157157.db2.gz RLDOCZYLSUEIDK-ZJUUUORDSA-N 0 3 404.326 4.177 20 30 HIEDHN COc1ccc(CNCc2ccccc2-n2nc(C)cc2C)cc1OCCCC#N ZINC000532120100 931321109 /nfs/dbraw/zinc/32/11/09/931321109.db2.gz MKVAYQYXGXCVEY-UHFFFAOYSA-N 0 3 404.514 4.470 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccccc2)CCOCC1 ZINC000532709186 931601269 /nfs/dbraw/zinc/60/12/69/931601269.db2.gz RQDHWTVJHCLDQW-GOSISDBHSA-N 0 3 409.555 4.315 20 30 HIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000533436168 931868568 /nfs/dbraw/zinc/86/85/68/931868568.db2.gz FKUSQBFTEWRTHR-LLVKDONJSA-N 0 3 404.146 4.437 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2Br)CC1 ZINC000533620425 931928290 /nfs/dbraw/zinc/92/82/90/931928290.db2.gz JIZUXXAIFAIXDS-UHFFFAOYSA-N 0 3 406.246 4.240 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCc3ccccc3OC)c2C)CC1 ZINC000534014120 932195468 /nfs/dbraw/zinc/19/54/68/932195468.db2.gz SBVHSNCEOYCQRS-UHFFFAOYSA-N 0 3 409.530 4.355 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1ccccc1 ZINC000534754268 932732281 /nfs/dbraw/zinc/73/22/81/932732281.db2.gz DJKDIOGVYFPIGO-JWQCQUIFSA-N 0 3 411.505 4.312 20 30 HIEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000536029723 933579526 /nfs/dbraw/zinc/57/95/26/933579526.db2.gz RRXXUPWQAXTQHK-IBGZPJMESA-N 0 3 407.301 4.036 20 30 HIEDHN COc1ccc([C@H](N[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287827 933698416 /nfs/dbraw/zinc/69/84/16/933698416.db2.gz QBSLKRDBALPRNI-UZUQRXQVSA-N 0 3 407.514 4.080 20 30 HIEDHN N#CC(C(=O)c1cccnc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000537666663 938349767 /nfs/dbraw/zinc/34/97/67/938349767.db2.gz SIIQMCXGXYGVEE-NSHDSACASA-N 0 3 410.302 4.258 20 30 HIEDHN C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000563316878 945177789 /nfs/dbraw/zinc/17/77/89/945177789.db2.gz ZHCOGHMPADKSKQ-LIRRHRJNSA-N 0 3 420.435 4.312 20 30 HIEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccc(Cl)cc1 ZINC000538128157 938513102 /nfs/dbraw/zinc/51/31/02/938513102.db2.gz JDGBSQPREQMBSR-HXUWFJFHSA-N 0 3 416.953 4.346 20 30 HIEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130329 938514696 /nfs/dbraw/zinc/51/46/96/938514696.db2.gz ZFYDKGQIUPXSII-SFHVURJKSA-N 0 3 412.493 4.490 20 30 HIEDHN C[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(-n2cccn2)c1 ZINC000538186190 938542853 /nfs/dbraw/zinc/54/28/53/938542853.db2.gz CRNMEVAZWWRHSS-ZWKOTPCHSA-N 0 3 419.554 4.413 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(OC)c(OC)c2)C2CCCCC2)CC1 ZINC000538811301 938718911 /nfs/dbraw/zinc/71/89/11/938718911.db2.gz GUKDCUKTUKAMBZ-UHFFFAOYSA-N 0 3 415.578 4.199 20 30 HIEDHN C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000539214284 938819649 /nfs/dbraw/zinc/81/96/49/938819649.db2.gz GQDQBPJMSDQRSW-QGZVFWFLSA-N 0 3 405.523 4.448 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259166 938828672 /nfs/dbraw/zinc/82/86/72/938828672.db2.gz ONRRMICPLQHUQM-NHCUHLMSSA-N 0 3 415.541 4.475 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304754 938837760 /nfs/dbraw/zinc/83/77/60/938837760.db2.gz WBBJOXVKYGMZJJ-XFAGBWLFSA-N 0 3 411.521 4.498 20 30 HIEDHN COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3cccc(C#N)c3)c2)cc1 ZINC000539495182 938868614 /nfs/dbraw/zinc/86/86/14/938868614.db2.gz HBHRPQMGFCZWJL-QGZVFWFLSA-N 0 3 421.522 4.218 20 30 HIEDHN C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539608406 938887526 /nfs/dbraw/zinc/88/75/26/938887526.db2.gz JVZHOCUYDFIKDT-AWEZNQCLSA-N 0 3 418.310 4.159 20 30 HIEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000540185828 939110376 /nfs/dbraw/zinc/11/03/76/939110376.db2.gz BNADXAOMMHAILK-HNNXBMFYSA-N 0 3 420.431 4.081 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000540342937 939200607 /nfs/dbraw/zinc/20/06/07/939200607.db2.gz QHQTVOSQIIEKDX-GOSISDBHSA-N 0 3 413.587 4.369 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000540386809 939222731 /nfs/dbraw/zinc/22/27/31/939222731.db2.gz ZYZMYTKLTQNVBB-FQEVSTJZSA-N 0 3 401.514 4.087 20 30 HIEDHN N#Cc1c(NC(=O)CCNC2(c3ccc4c(c3)OCO4)CC2)sc2c1CCCCC2 ZINC000540429197 939245543 /nfs/dbraw/zinc/24/55/43/939245543.db2.gz DMBHACWVPMOMAU-UHFFFAOYSA-N 0 3 423.538 4.225 20 30 HIEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 ZINC000540459710 939260362 /nfs/dbraw/zinc/26/03/62/939260362.db2.gz XYXBHYZJWOJZJJ-JOCHJYFZSA-N 0 3 423.582 4.111 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000540468978 939264762 /nfs/dbraw/zinc/26/47/62/939264762.db2.gz AYZDYMVPCSGNBY-OAQYLSRUSA-N 0 3 405.889 4.077 20 30 HIEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541138839 939474169 /nfs/dbraw/zinc/47/41/69/939474169.db2.gz AAEBIWIGULLPRC-UHFFFAOYSA-N 0 3 419.872 4.457 20 30 HIEDHN CC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCc2ccccc2C1 ZINC000542420017 939818532 /nfs/dbraw/zinc/81/85/32/939818532.db2.gz YPJDQTHAAAWQBQ-HSZRJFAPSA-N 0 3 402.542 4.069 20 30 HIEDHN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934044 939881219 /nfs/dbraw/zinc/88/12/19/939881219.db2.gz GVAKHDGJDZHAAP-MGPUTAFESA-N 0 3 401.432 4.429 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000544404336 940413959 /nfs/dbraw/zinc/41/39/59/940413959.db2.gz CDHDFSLQYDSKIJ-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)CC1 ZINC000549932023 941241481 /nfs/dbraw/zinc/24/14/81/941241481.db2.gz ONTNJGMUNHLPCC-IBGZPJMESA-N 0 3 416.447 4.175 20 30 HIEDHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000550292263 941310116 /nfs/dbraw/zinc/31/01/16/941310116.db2.gz UDCVAVXDNMIZMP-WZONZLPQSA-N 0 3 409.505 4.350 20 30 HIEDHN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000552200041 941601078 /nfs/dbraw/zinc/60/10/78/941601078.db2.gz SFUURTBESGXAAQ-NRFANRHFSA-N 0 3 413.477 4.169 20 30 HIEDHN CCc1nc2ccccc2n1C1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000552835550 941782192 /nfs/dbraw/zinc/78/21/92/941782192.db2.gz RDRLTKXZHXBZOX-UHFFFAOYSA-N 0 3 404.514 4.195 20 30 HIEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000553409212 941880640 /nfs/dbraw/zinc/88/06/40/941880640.db2.gz OUNHCTLEDKAZTG-JKSUJKDBSA-N 0 3 408.571 4.386 20 30 HIEDHN COc1ccc(C[C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc2)cc1OC ZINC000556596796 942910435 /nfs/dbraw/zinc/91/04/35/942910435.db2.gz UFQAACWJBVKJMF-QFIPXVFZSA-N 0 3 412.493 4.297 20 30 HIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000556914058 942964487 /nfs/dbraw/zinc/96/44/87/942964487.db2.gz XZSSZNGGPZWFOM-IBGZPJMESA-N 0 3 414.571 4.277 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000557453096 943135796 /nfs/dbraw/zinc/13/57/96/943135796.db2.gz ZNBFWLHOOPFREW-FQEVSTJZSA-N 0 3 415.607 4.450 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910239 943326699 /nfs/dbraw/zinc/32/66/99/943326699.db2.gz QVBIKOAQLRGLQW-VQIMIIECSA-N 0 3 407.470 4.182 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910236 943326805 /nfs/dbraw/zinc/32/68/05/943326805.db2.gz QVBIKOAQLRGLQW-APWZRJJASA-N 0 3 407.470 4.182 20 30 HIEDHN C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000559323483 943896368 /nfs/dbraw/zinc/89/63/68/943896368.db2.gz JWXGHALFZRIEED-FDDCHVKYSA-N 0 3 409.505 4.350 20 30 HIEDHN N#CC(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000561984108 944886941 /nfs/dbraw/zinc/88/69/41/944886941.db2.gz HQXSSBDTEDAZSN-ZDUSSCGKSA-N 0 3 409.327 4.189 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086312 944930557 /nfs/dbraw/zinc/93/05/57/944930557.db2.gz ATXQMJJPANAHBX-XJKSGUPXSA-N 0 3 424.423 4.343 20 30 HIEDHN CN(C)C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(F)cc1 ZINC000562173985 945002783 /nfs/dbraw/zinc/00/27/83/945002783.db2.gz ZABANMQABIPTGG-HSZRJFAPSA-N 0 3 402.473 4.045 20 30 HIEDHN COC(=O)c1cccc(NC2CCN(Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000564318404 945512637 /nfs/dbraw/zinc/51/26/37/945512637.db2.gz XGZGEZUUNDXMSX-UHFFFAOYSA-N 0 3 407.514 4.232 20 30 HIEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000564615819 945708043 /nfs/dbraw/zinc/70/80/43/945708043.db2.gz VOKJNJWOKABOEU-UHFFFAOYSA-N 0 3 414.557 4.034 20 30 HIEDHN CC[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000568333703 946514148 /nfs/dbraw/zinc/51/41/48/946514148.db2.gz KWYDYCRCAAPJPX-NRFANRHFSA-N 0 3 402.498 4.168 20 30 HIEDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424899 946874421 /nfs/dbraw/zinc/87/44/21/946874421.db2.gz UOKMYCVMLGXSIE-FTRWYGJKSA-N 0 3 409.555 4.193 20 30 HIEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164904722 721563508 /nfs/dbraw/zinc/56/35/08/721563508.db2.gz FLIPNTITNFIPSL-AZUAARDMSA-N 0 3 422.891 4.241 20 30 HIEDHN N#CC1(c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2)CCC1 ZINC001164908548 721703721 /nfs/dbraw/zinc/70/37/21/721703721.db2.gz XVQJXBNIIWWJKF-QHCPKHFHSA-N 0 3 423.511 4.160 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000436043026 861333071 /nfs/dbraw/zinc/33/30/71/861333071.db2.gz SLBWWSKHXSLIHH-UHFFFAOYSA-N 0 3 413.525 4.021 20 30 HIEDHN C=CCn1c(=S)n(CN2CCN(Cc3cccc4ccccc43)CC2)nc1C1CC1 ZINC000023475275 846704659 /nfs/dbraw/zinc/70/46/59/846704659.db2.gz RXZTYXAIXNZYTH-UHFFFAOYSA-N 0 3 419.598 4.406 20 30 HIEDHN CCOc1ccc([C@@H](NC[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537105 847731921 /nfs/dbraw/zinc/73/19/21/847731921.db2.gz GYIHVPJFGGOEFW-RDGATRHJSA-N 0 3 402.494 4.076 20 30 HIEDHN N#CC(C(=O)c1ccc(OC2CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395271 849309327 /nfs/dbraw/zinc/30/93/27/849309327.db2.gz ASNJFPYLYUTRBN-IBGZPJMESA-N 0 3 414.469 4.009 20 30 HIEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207122 850283513 /nfs/dbraw/zinc/28/35/13/850283513.db2.gz LCXQNXHTLQXUPJ-ROUUACIJSA-N 0 3 409.505 4.318 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000061166275 851308658 /nfs/dbraw/zinc/30/86/58/851308658.db2.gz LBEWSQMSWNJEID-UHFFFAOYSA-N 0 3 406.530 4.152 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000062372644 851531470 /nfs/dbraw/zinc/53/14/70/851531470.db2.gz HCSKJQDBRNRFJR-UHFFFAOYSA-N 0 3 406.408 4.053 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000062407214 851544226 /nfs/dbraw/zinc/54/42/26/851544226.db2.gz GUXKXPZFFFJYKF-UHFFFAOYSA-N 0 3 416.472 4.219 20 30 HIEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064719927 851966586 /nfs/dbraw/zinc/96/65/86/851966586.db2.gz KJXIPEYQLBLNCU-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN N#Cc1cccc(COc2cccc(CNCc3ccccc3N3CCOCC3)c2)c1 ZINC000065934691 852323907 /nfs/dbraw/zinc/32/39/07/852323907.db2.gz HFWRUGKMTXEHFY-UHFFFAOYSA-N 0 3 413.521 4.264 20 30 HIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000065936668 852325075 /nfs/dbraw/zinc/32/50/75/852325075.db2.gz TVZIWUUMANJHHF-UHFFFAOYSA-N 0 3 401.963 4.035 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC=C(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000139945347 853428191 /nfs/dbraw/zinc/42/81/91/853428191.db2.gz ZFFRVTMLBMNWTB-UHFFFAOYSA-N 0 3 407.539 4.322 20 30 HIEDHN CC(C)C(=O)Nc1ccc(CNCc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236839887 853927646 /nfs/dbraw/zinc/92/76/46/853927646.db2.gz YTGVWYLCPJXYIK-UHFFFAOYSA-N 0 3 401.514 4.348 20 30 HIEDHN CCOc1c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1CC(C)C ZINC000237026890 853953742 /nfs/dbraw/zinc/95/37/42/853953742.db2.gz DTJIFUZPRHKOQB-IBGZPJMESA-N 0 3 413.541 4.016 20 30 HIEDHN COc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000237424787 854030526 /nfs/dbraw/zinc/03/05/26/854030526.db2.gz ZCBNLTNZWKRZTK-INIZCTEOSA-N 0 3 405.420 4.066 20 30 HIEDHN C=CCN1CCC(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000303257769 854838598 /nfs/dbraw/zinc/83/85/98/854838598.db2.gz HEUMUKQNVFWVQZ-UHFFFAOYSA-N 0 3 409.477 4.138 20 30 HIEDHN CN(C)Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1Cl ZINC000410329791 855932075 /nfs/dbraw/zinc/93/20/75/855932075.db2.gz UKEDAUVNCNLCKJ-UHFFFAOYSA-N 0 3 417.840 4.093 20 30 HIEDHN C[C@@H](c1ccc(Br)cc1)N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000410379422 855962477 /nfs/dbraw/zinc/96/24/77/855962477.db2.gz GFWQKAWZBCPXLN-SFHVURJKSA-N 0 3 420.395 4.228 20 30 HIEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000426747647 856451203 /nfs/dbraw/zinc/45/12/03/856451203.db2.gz QUFZPNJAQKUGOD-GOSISDBHSA-N 0 3 411.571 4.221 20 30 HIEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000429400483 857644046 /nfs/dbraw/zinc/64/40/46/857644046.db2.gz FFIRHDZXHAVGOH-QFIPXVFZSA-N 0 3 424.614 4.223 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000429534670 857728327 /nfs/dbraw/zinc/72/83/27/857728327.db2.gz FMIHZMFNIKQEJF-UHFFFAOYSA-N 0 3 408.333 4.010 20 30 HIEDHN C=C(C)COc1cccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000429759175 857875663 /nfs/dbraw/zinc/87/56/63/857875663.db2.gz SQYJJOIZZBLHTR-QHCPKHFHSA-N 0 3 409.530 4.054 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC ZINC000429880383 857925317 /nfs/dbraw/zinc/92/53/17/857925317.db2.gz RFJIVBBFNUUQNO-GFCCVEGCSA-N 0 3 417.874 4.221 20 30 HIEDHN CCc1nc(COc2ccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)cc2)no1 ZINC000430620125 858238016 /nfs/dbraw/zinc/23/80/16/858238016.db2.gz BTWBZRWWUSDTRA-HNNXBMFYSA-N 0 3 410.499 4.455 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2CC(=O)c2cccs2)cc1Cl ZINC000431001642 858400106 /nfs/dbraw/zinc/40/01/06/858400106.db2.gz WBDVKJUTOHEOSB-INIZCTEOSA-N 0 3 401.919 4.339 20 30 HIEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000431735456 858773261 /nfs/dbraw/zinc/77/32/61/858773261.db2.gz JDKOHBHNXRGEAN-GAJHUEQPSA-N 0 3 408.521 4.094 20 30 HIEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000431735458 858773297 /nfs/dbraw/zinc/77/32/97/858773297.db2.gz JDKOHBHNXRGEAN-SBUREZEXSA-N 0 3 408.521 4.094 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433015728 859479977 /nfs/dbraw/zinc/47/99/77/859479977.db2.gz YHWGORSBAHIYLV-QFIPXVFZSA-N 0 3 410.949 4.013 20 30 HIEDHN N#CCCC[C@@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034282 859492127 /nfs/dbraw/zinc/49/21/27/859492127.db2.gz XWCPZBYABJIYNY-IRLDBZIGSA-N 0 3 404.539 4.373 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(Br)c(F)c2)c(-c2ccncc2)n1 ZINC000433309636 859631339 /nfs/dbraw/zinc/63/13/39/859631339.db2.gz BUVBOWGCTRJSMU-UHFFFAOYSA-N 0 3 414.282 4.050 20 30 HIEDHN CC(C)n1nc(-c2ccco2)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000433921043 859972853 /nfs/dbraw/zinc/97/28/53/859972853.db2.gz HIOFNDFJVHMAFL-UHFFFAOYSA-N 0 3 420.517 4.191 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000435284967 860719192 /nfs/dbraw/zinc/71/91/92/860719192.db2.gz MLRAKRYLSVFQTI-JOCHJYFZSA-N 0 3 416.525 4.456 20 30 HIEDHN CC(C)C1CCC(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000438545174 863974868 /nfs/dbraw/zinc/97/48/68/863974868.db2.gz IDHBTDCSHRTCGN-DDRJZQQSSA-N 0 3 410.606 4.154 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000438585041 864015857 /nfs/dbraw/zinc/01/58/57/864015857.db2.gz UNBFGMWSUWVGJM-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)CC1 ZINC000438814223 864306276 /nfs/dbraw/zinc/30/62/76/864306276.db2.gz WFGRPYDCWGOMKI-SFHVURJKSA-N 0 3 423.582 4.245 20 30 HIEDHN CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440452839 865757058 /nfs/dbraw/zinc/75/70/58/865757058.db2.gz CBWRYAKFUMLUOE-UHFFFAOYSA-N 0 3 416.443 4.173 20 30 HIEDHN CC[C@H](C)[C@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808238 865926533 /nfs/dbraw/zinc/92/65/33/865926533.db2.gz PVXOOBZSQAXEEF-UUOWRZLLSA-N 0 3 420.557 4.310 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000442730232 867652860 /nfs/dbraw/zinc/65/28/60/867652860.db2.gz QEHVAKPKWXSTII-UHFFFAOYSA-N 0 3 410.484 4.109 20 30 HIEDHN COc1ccc([C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)N(C)C)cc1OC ZINC000443428498 868011932 /nfs/dbraw/zinc/01/19/32/868011932.db2.gz IWCCLXQNCKCOHV-SFHVURJKSA-N 0 3 412.440 4.117 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000444629315 868920247 /nfs/dbraw/zinc/92/02/47/868920247.db2.gz COBCEOQYJDCHCA-IBGZPJMESA-N 0 3 400.567 4.356 20 30 HIEDHN C=CC[C@H]1N(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1(C)C ZINC000444776382 868998394 /nfs/dbraw/zinc/99/83/94/868998394.db2.gz CLPDIMGLHBGTLO-GOSISDBHSA-N 0 3 401.507 4.329 20 30 HIEDHN CN(CCC(=O)Nc1sccc1C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445880548 869870220 /nfs/dbraw/zinc/87/02/20/869870220.db2.gz OHIYLCUFELQHSV-HNNXBMFYSA-N 0 3 420.332 4.166 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445893429 869875584 /nfs/dbraw/zinc/87/55/84/869875584.db2.gz KCFDQXPLVKIQKL-QGZVFWFLSA-N 0 3 410.440 4.123 20 30 HIEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460955211 873852581 /nfs/dbraw/zinc/85/25/81/873852581.db2.gz DKNXNKUTQVPVGG-QZTJIDSGSA-N 0 3 415.607 4.074 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468987001 883053993 /nfs/dbraw/zinc/05/39/93/883053993.db2.gz PDNHGMVTVJFCME-UHFFFAOYSA-N 0 3 424.495 4.427 20 30 HIEDHN N#CC(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464418639 877626584 /nfs/dbraw/zinc/62/65/84/877626584.db2.gz HHCOISZMEXFOJX-SNVBAGLBSA-N 0 3 401.247 4.100 20 30 HIEDHN N#CC(C(=O)c1ccccc1COC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000464467176 877689179 /nfs/dbraw/zinc/68/91/79/877689179.db2.gz KAFXSOWNNDGXDB-GOSISDBHSA-N 0 3 404.388 4.286 20 30 HIEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000464599816 877827125 /nfs/dbraw/zinc/82/71/25/877827125.db2.gz DIXNHTDZTIIGPC-CQSZACIVSA-N 0 3 413.591 4.438 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000469174369 883272300 /nfs/dbraw/zinc/27/23/00/883272300.db2.gz JHYPCJZGXYNBAZ-UHFFFAOYSA-N 0 3 406.917 4.411 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000470135558 884399922 /nfs/dbraw/zinc/39/99/22/884399922.db2.gz YGEQYGRPAYLQHA-UHFFFAOYSA-N 0 3 422.245 4.120 20 30 HIEDHN CN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470666711 885094268 /nfs/dbraw/zinc/09/42/68/885094268.db2.gz JTRZEOGZDGZRRF-HSZRJFAPSA-N 0 3 405.542 4.230 20 30 HIEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000504059628 912964950 /nfs/dbraw/zinc/96/49/50/912964950.db2.gz RZRKNLFTCCESMO-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](c1ccccc1)N(C)C ZINC000471578165 886289479 /nfs/dbraw/zinc/28/94/79/886289479.db2.gz OHMALFSLIASSNW-SBUREZEXSA-N 0 3 403.482 4.151 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000473805114 888628019 /nfs/dbraw/zinc/62/80/19/888628019.db2.gz HRFKEDGCEOQQRV-UHFFFAOYSA-N 0 3 406.368 4.021 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474241142 889089679 /nfs/dbraw/zinc/08/96/79/889089679.db2.gz UFIOJJUBCODRKW-CTNGQTDRSA-N 0 3 422.598 4.083 20 30 HIEDHN CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474616850 889480834 /nfs/dbraw/zinc/48/08/34/889480834.db2.gz KAKFZWUVBPWQBM-GOSISDBHSA-N 0 3 402.420 4.315 20 30 HIEDHN CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475018656 889871406 /nfs/dbraw/zinc/87/14/06/889871406.db2.gz RQXNYBNMWAUTAA-SFHVURJKSA-N 0 3 414.456 4.288 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000477047481 891976738 /nfs/dbraw/zinc/97/67/38/891976738.db2.gz JAKVHMWXXZYBMK-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN Cc1coc(-c2cc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2C)n1 ZINC000477981844 893079162 /nfs/dbraw/zinc/07/91/62/893079162.db2.gz HGVVQOVUAQHEMX-UHFFFAOYSA-N 0 3 417.513 4.426 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCOc1ccc(Cl)c(F)c1 ZINC000478525418 893830011 /nfs/dbraw/zinc/83/00/11/893830011.db2.gz BHUOIFXAUUEABN-UHFFFAOYSA-N 0 3 424.973 4.456 20 30 HIEDHN Cn1cc(CNCc2ccc(N3CCCCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000479977590 895330545 /nfs/dbraw/zinc/33/05/45/895330545.db2.gz IFTCMFWTGQQDRY-UHFFFAOYSA-N 0 3 400.530 4.024 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)CCC(=O)N4CC3CC3)CC2)cc1 ZINC000480661149 896028151 /nfs/dbraw/zinc/02/81/51/896028151.db2.gz HJGWCQCNEXXIBS-UHFFFAOYSA-N 0 3 414.553 4.324 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cc(F)cc(F)c1 ZINC000505434370 914098569 /nfs/dbraw/zinc/09/85/69/914098569.db2.gz XFDUVWVPIWQMPL-KRWDZBQOSA-N 0 3 409.392 4.244 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481523075 896887238 /nfs/dbraw/zinc/88/72/38/896887238.db2.gz YBQRLPPZNBSVCG-JWQCQUIFSA-N 0 3 418.585 4.433 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481658836 897043214 /nfs/dbraw/zinc/04/32/14/897043214.db2.gz OPSWUBKEQYYZDS-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@H](C)O1 ZINC000481679938 897064237 /nfs/dbraw/zinc/06/42/37/897064237.db2.gz WMHDPHWNIDTPRF-CEYNDMKZSA-N 0 3 417.553 4.365 20 30 HIEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481744776 897138963 /nfs/dbraw/zinc/13/89/63/897138963.db2.gz RSZRWEBRKXTNAJ-UHFFFAOYSA-N 0 3 419.298 4.056 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1OCc1ccccc1F ZINC000482575432 898170427 /nfs/dbraw/zinc/17/04/27/898170427.db2.gz GMRKUSWVTVKSHS-KRWDZBQOSA-N 0 3 400.413 4.176 20 30 HIEDHN COc1cc(F)c([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890761 898507666 /nfs/dbraw/zinc/50/76/66/898507666.db2.gz NSZHGEYEELKRNN-HOCLYGCPSA-N 0 3 401.457 4.173 20 30 HIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892857 898510886 /nfs/dbraw/zinc/51/08/86/898510886.db2.gz VFLAGJFKDWLEQU-NVXWUHKLSA-N 0 3 424.911 4.251 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)cc3nc(C)oc32)CC1 ZINC000483880642 899557031 /nfs/dbraw/zinc/55/70/31/899557031.db2.gz ACYOGCFAYSVSOC-UHFFFAOYSA-N 0 3 407.312 4.061 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465340 899959721 /nfs/dbraw/zinc/95/97/21/899959721.db2.gz MWPSCABMTZFDQC-SWLSCSKDSA-N 0 3 410.396 4.301 20 30 HIEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484622171 900076271 /nfs/dbraw/zinc/07/62/71/900076271.db2.gz SIZXDJMHLNCGHI-UREPRSOHSA-N 0 3 420.601 4.109 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC ZINC000505773294 914441052 /nfs/dbraw/zinc/44/10/52/914441052.db2.gz YXCOETXPHVLAEY-HNNXBMFYSA-N 0 3 409.467 4.082 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccc(F)cc4)s3)C2=O)cc1 ZINC000486861819 901906551 /nfs/dbraw/zinc/90/65/51/901906551.db2.gz AWPHHVCKCGCHRP-OAQYLSRUSA-N 0 3 405.498 4.317 20 30 HIEDHN Cc1cc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1C#N ZINC000488223147 902703363 /nfs/dbraw/zinc/70/33/63/902703363.db2.gz ZMKLTTPWGOISBQ-UHFFFAOYSA-N 0 3 412.331 4.480 20 30 HIEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499378 902857060 /nfs/dbraw/zinc/85/70/60/902857060.db2.gz OGVMKXVIBONVGS-PMACEKPBSA-N 0 3 412.331 4.163 20 30 HIEDHN COC(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc2ccccc21 ZINC000490482787 904034756 /nfs/dbraw/zinc/03/47/56/904034756.db2.gz BXSWYPNRQDDNCY-NFBKMPQASA-N 0 3 400.478 4.333 20 30 HIEDHN COC(=O)C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cccc2ccccc21 ZINC000490482789 904036921 /nfs/dbraw/zinc/03/69/21/904036921.db2.gz BXSWYPNRQDDNCY-NZQKXSOJSA-N 0 3 400.478 4.333 20 30 HIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000490734943 904199989 /nfs/dbraw/zinc/19/99/89/904199989.db2.gz UQIORCOPSVHJLL-GFCCVEGCSA-N 0 3 421.400 4.327 20 30 HIEDHN C=C(C)CN1CCC(N[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491034534 904387180 /nfs/dbraw/zinc/38/71/80/904387180.db2.gz HGXLXFPOQXRJKU-XMMPIXPASA-N 0 3 412.599 4.118 20 30 HIEDHN COc1ccc([C@@H]2CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000491137844 904450044 /nfs/dbraw/zinc/45/00/44/904450044.db2.gz QLAUSWBEUJNJIB-NRFANRHFSA-N 0 3 402.498 4.313 20 30 HIEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000491194918 904477329 /nfs/dbraw/zinc/47/73/29/904477329.db2.gz QUMMEOZBQPOCPQ-UHFFFAOYSA-N 0 3 400.404 4.489 20 30 HIEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000491489845 904621920 /nfs/dbraw/zinc/62/19/20/904621920.db2.gz FOHQYQHPIYCQNU-UHFFFAOYSA-N 0 3 402.445 4.064 20 30 HIEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@@H]2C1 ZINC000492123067 904803046 /nfs/dbraw/zinc/80/30/46/904803046.db2.gz VBBDQWZBGYJCRK-WIYYLYMNSA-N 0 3 424.932 4.349 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)CC1 ZINC000494104171 905436812 /nfs/dbraw/zinc/43/68/12/905436812.db2.gz BMAGCEIZRHDDRE-UHFFFAOYSA-N 0 3 416.978 4.182 20 30 HIEDHN C=CCn1c(SCCN2CCCCC2)nnc1-c1ccc(Br)cc1 ZINC000494310845 905626574 /nfs/dbraw/zinc/62/65/74/905626574.db2.gz UZQZUHPOOULUJR-UHFFFAOYSA-N 0 3 407.381 4.472 20 30 HIEDHN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491641 905777777 /nfs/dbraw/zinc/77/77/77/905777777.db2.gz JGGSPIBWXUDXMU-JBANWTQYSA-N 0 3 403.954 4.079 20 30 HIEDHN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC[C@H]1C1CCCC1)CCCC2 ZINC000494791612 905993740 /nfs/dbraw/zinc/99/37/40/905993740.db2.gz FJLRODNIYZBLSF-UGKGYDQZSA-N 0 3 424.589 4.011 20 30 HIEDHN CS[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H]1N(C)C ZINC000495695381 906525894 /nfs/dbraw/zinc/52/58/94/906525894.db2.gz CGXWIIFCNRUGDE-ICSRJNTNSA-N 0 3 415.946 4.122 20 30 HIEDHN C=CCc1cc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1O ZINC000512573688 921245466 /nfs/dbraw/zinc/24/54/66/921245466.db2.gz NSCSLJLHGZLXBD-UHFFFAOYSA-N 0 3 404.514 4.294 20 30 HIEDHN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499041953 908416094 /nfs/dbraw/zinc/41/60/94/908416094.db2.gz APUNYRZLMPMTGT-HNNXBMFYSA-N 0 3 420.340 4.223 20 30 HIEDHN C[C@@H](Sc1ccccc1Cl)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000499048224 908419390 /nfs/dbraw/zinc/41/93/90/908419390.db2.gz NIIJGKHDSFWAFN-MRXNPFEDSA-N 0 3 401.963 4.283 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056422 908427651 /nfs/dbraw/zinc/42/76/51/908427651.db2.gz PAJZRGNQUYJGIX-NHCUHLMSSA-N 0 3 415.459 4.271 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc2)CC1 ZINC000501179744 910348413 /nfs/dbraw/zinc/34/84/13/910348413.db2.gz XESQGFTWCVHXMQ-UHFFFAOYSA-N 0 3 417.538 4.076 20 30 HIEDHN N#Cc1cccc(OCCCN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502310242 911275650 /nfs/dbraw/zinc/27/56/50/911275650.db2.gz COFCEJKSEJGRCK-HXUWFJFHSA-N 0 3 421.545 4.059 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000502508795 911513451 /nfs/dbraw/zinc/51/34/51/911513451.db2.gz SKJFKPORIJEFRI-LJQANCHMSA-N 0 3 404.436 4.093 20 30 HIEDHN COc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077360 912049089 /nfs/dbraw/zinc/04/90/89/912049089.db2.gz UEIOKOFSQKOVHZ-CVDCTZTESA-N 0 3 416.525 4.425 20 30 HIEDHN CCOc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000506279126 914880539 /nfs/dbraw/zinc/88/05/39/914880539.db2.gz IKEMDWGAWMBBSB-UHFFFAOYSA-N 0 3 415.484 4.266 20 30 HIEDHN Cc1ccccc1[C@H](OC[C@H](O)CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000506338753 914953114 /nfs/dbraw/zinc/95/31/14/914953114.db2.gz OLZZEWNCDIWWBL-AOYPEHQESA-N 0 3 400.522 4.466 20 30 HIEDHN Cc1noc(C2(C)CCN(Cc3cccc(OCc4ccccc4C#N)c3)CC2)n1 ZINC000513360289 921735856 /nfs/dbraw/zinc/73/58/56/921735856.db2.gz ZGMPKTSNIOONSH-UHFFFAOYSA-N 0 3 402.498 4.382 20 30 HIEDHN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670041 915345696 /nfs/dbraw/zinc/34/56/96/915345696.db2.gz SDMKGONUQRRVMG-OXQOHEQNSA-N 0 3 413.493 4.219 20 30 HIEDHN N#CCCn1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000506710724 915387919 /nfs/dbraw/zinc/38/79/19/915387919.db2.gz JIGGREMEGIIYLG-UHFFFAOYSA-N 0 3 413.525 4.314 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)NCc3ccccc3)CC2)ccc1OC ZINC000506730312 915416213 /nfs/dbraw/zinc/41/62/13/915416213.db2.gz MGMFZZKWOFCHQG-UHFFFAOYSA-N 0 3 408.542 4.179 20 30 HIEDHN N#CCCCOc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000507172268 915915013 /nfs/dbraw/zinc/91/50/13/915915013.db2.gz AFSPRCUFCFMTQV-OAQYLSRUSA-N 0 3 413.468 4.465 20 30 HIEDHN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420072 916188285 /nfs/dbraw/zinc/18/82/85/916188285.db2.gz IBUSSNILFQULMX-JXFKEZNVSA-N 0 3 424.932 4.022 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000507850199 916671926 /nfs/dbraw/zinc/67/19/26/916671926.db2.gz WFEZKOGGTJCHCX-QGZVFWFLSA-N 0 3 421.324 4.148 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)ccc1OC ZINC000508038763 916867791 /nfs/dbraw/zinc/86/77/91/916867791.db2.gz NNXKPYZFVVJTKI-FQEVSTJZSA-N 0 3 409.530 4.204 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(Br)c1 ZINC000509683304 918314808 /nfs/dbraw/zinc/31/48/08/918314808.db2.gz ZHIDVFSYZHOGDU-UHFFFAOYSA-N 0 3 420.738 4.178 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000510507283 918954742 /nfs/dbraw/zinc/95/47/42/918954742.db2.gz YMYWOIXBLLDUQQ-OAQYLSRUSA-N 0 3 410.518 4.170 20 30 HIEDHN C[C@H](N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603706 920249671 /nfs/dbraw/zinc/24/96/71/920249671.db2.gz IIHPVBQWNHKQAT-KSSFIOAISA-N 0 3 409.452 4.357 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1C ZINC000511797259 920490756 /nfs/dbraw/zinc/49/07/56/920490756.db2.gz NDCRDMLUFNZOAU-OYRHQHFDSA-N 0 3 417.553 4.055 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1C ZINC000511797261 920490833 /nfs/dbraw/zinc/49/08/33/920490833.db2.gz NDCRDMLUFNZOAU-VDKIKQQVSA-N 0 3 417.553 4.055 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000513661394 921984848 /nfs/dbraw/zinc/98/48/48/921984848.db2.gz RYZJSRQMKZDMHT-MRXNPFEDSA-N 0 3 424.439 4.179 20 30 HIEDHN N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513751114 922070813 /nfs/dbraw/zinc/07/08/13/922070813.db2.gz WZSLMEYWWHTOAJ-PKOBYXMFSA-N 0 3 405.832 4.018 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C ZINC000516713680 923858571 /nfs/dbraw/zinc/85/85/71/923858571.db2.gz GYNLVDIHJWNHBJ-KRWDZBQOSA-N 0 3 403.463 4.497 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000517318184 924099457 /nfs/dbraw/zinc/09/94/57/924099457.db2.gz RNEFJCKUPRULSA-UHFFFAOYSA-N 0 3 418.585 4.089 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000517319568 924100725 /nfs/dbraw/zinc/10/07/25/924100725.db2.gz ZNVIZWPRHVUZRK-UHFFFAOYSA-N 0 3 404.605 4.062 20 30 HIEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849240 927553890 /nfs/dbraw/zinc/55/38/90/927553890.db2.gz VNXRGEGSXQDIBM-PXNSSMCTSA-N 0 3 419.422 4.438 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 ZINC000518919413 927627963 /nfs/dbraw/zinc/62/79/63/927627963.db2.gz VKNWQPYIPGHHSG-QFIPXVFZSA-N 0 3 400.482 4.087 20 30 HIEDHN C=CCN1CCC(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000519301550 927871200 /nfs/dbraw/zinc/87/12/00/927871200.db2.gz KJQUAFHNEISTOG-UHFFFAOYSA-N 0 3 409.496 4.467 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000521240239 929074230 /nfs/dbraw/zinc/07/42/30/929074230.db2.gz KWRKOXHTMOURFX-OAHLLOKOSA-N 0 3 402.539 4.268 20 30 HIEDHN N#Cc1cccc(OCCCCC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000521957705 929594738 /nfs/dbraw/zinc/59/47/38/929594738.db2.gz SNQMRYSVEMVEMR-UHFFFAOYSA-N 0 3 423.582 4.337 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000525248523 930104834 /nfs/dbraw/zinc/10/48/34/930104834.db2.gz MALZSXHAMMAPIW-LSDHHAIUSA-N 0 3 405.420 4.413 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000525462272 930255500 /nfs/dbraw/zinc/25/55/00/930255500.db2.gz GMPQPFIBCFYGCV-UHFFFAOYSA-N 0 3 420.395 4.163 20 30 HIEDHN N#CCCCOc1cccc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000530967364 930870949 /nfs/dbraw/zinc/87/09/49/930870949.db2.gz JXSMYXSJRLHSIH-SFHVURJKSA-N 0 3 417.431 4.283 20 30 HIEDHN CC(C)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000533224282 931814198 /nfs/dbraw/zinc/81/41/98/931814198.db2.gz KIJBSQTVRQBGJM-OAQYLSRUSA-N 0 3 407.905 4.323 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(Nc3cccc(C)c3)CC2)c(OC)c1 ZINC000533529711 931895287 /nfs/dbraw/zinc/89/52/87/931895287.db2.gz IEMYRGDGWFHVOO-HSZRJFAPSA-N 0 3 410.558 4.048 20 30 HIEDHN C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000533936329 932110023 /nfs/dbraw/zinc/11/00/23/932110023.db2.gz AYQYYUQCMCTQNL-CVDCTZTESA-N 0 3 405.542 4.151 20 30 HIEDHN COc1ccc(Br)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000535068271 932896735 /nfs/dbraw/zinc/89/67/35/932896735.db2.gz PKKXTQQWQWMUCQ-UHFFFAOYSA-N 0 3 414.347 4.037 20 30 HIEDHN C=C[C@H](CC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000535372659 933098945 /nfs/dbraw/zinc/09/89/45/933098945.db2.gz FOQLKCDZAYVLHY-HSZRJFAPSA-N 0 3 405.586 4.373 20 30 HIEDHN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478455 933790639 /nfs/dbraw/zinc/79/06/39/933790639.db2.gz TVXUJTDHJTWRKH-FOIQADDNSA-N 0 3 401.432 4.419 20 30 HIEDHN C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478458 933790673 /nfs/dbraw/zinc/79/06/73/933790673.db2.gz TVXUJTDHJTWRKH-QRWLVFNGSA-N 0 3 401.432 4.419 20 30 HIEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)o2)cc1 ZINC000537561868 938324980 /nfs/dbraw/zinc/32/49/80/938324980.db2.gz OXASIJCQXGTQLH-LJQANCHMSA-N 0 3 417.517 4.154 20 30 HIEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)o2)cc1 ZINC000537561868 938324982 /nfs/dbraw/zinc/32/49/82/938324982.db2.gz OXASIJCQXGTQLH-LJQANCHMSA-N 0 3 417.517 4.154 20 30 HIEDHN N#Cc1ccc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)s1 ZINC000537824936 938384669 /nfs/dbraw/zinc/38/46/69/938384669.db2.gz VBHMCBUQVOSCME-UHFFFAOYSA-N 0 3 416.550 4.237 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000563316877 945178128 /nfs/dbraw/zinc/17/81/28/945178128.db2.gz ZHCOGHMPADKSKQ-KUHUBIRLSA-N 0 3 420.435 4.312 20 30 HIEDHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000538174219 938535670 /nfs/dbraw/zinc/53/56/70/938535670.db2.gz AWGGSMWSGBCQBG-JOCHJYFZSA-N 0 3 409.505 4.050 20 30 HIEDHN C=CCC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000538228944 938566262 /nfs/dbraw/zinc/56/62/62/938566262.db2.gz BVJUUGDPDYHOPK-HXUWFJFHSA-N 0 3 401.432 4.490 20 30 HIEDHN N#CCCN(C(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231483 938566495 /nfs/dbraw/zinc/56/64/95/938566495.db2.gz PIUDJFZPUMQTGQ-XMSQKQJNSA-N 0 3 411.933 4.344 20 30 HIEDHN C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000539214283 938819665 /nfs/dbraw/zinc/81/96/65/938819665.db2.gz GQDQBPJMSDQRSW-KRWDZBQOSA-N 0 3 405.523 4.448 20 30 HIEDHN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(-n2cccn2)c1 ZINC000539287987 938833880 /nfs/dbraw/zinc/83/38/80/938833880.db2.gz GDATTWGWTWKQIN-INIZCTEOSA-N 0 3 419.554 4.364 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000539333185 938843202 /nfs/dbraw/zinc/84/32/02/938843202.db2.gz TZFUDTGVOQZIEH-UKILVPOCSA-N 0 3 400.526 4.093 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491355 938867840 /nfs/dbraw/zinc/86/78/40/938867840.db2.gz QJZISTWVXJNPPC-OPAMFIHVSA-N 0 3 412.555 4.163 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000539623394 938889495 /nfs/dbraw/zinc/88/94/95/938889495.db2.gz XJCSHWDNKRHILC-UHFFFAOYSA-N 0 3 415.459 4.465 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1C ZINC000540342586 939200937 /nfs/dbraw/zinc/20/09/37/939200937.db2.gz XSSOMSCEDOVMMV-VWLOTQADSA-N 0 3 421.541 4.308 20 30 HIEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC000540380572 939220267 /nfs/dbraw/zinc/22/02/67/939220267.db2.gz PCDOCPNHAIQAOL-DEOSSOPVSA-N 0 3 404.535 4.296 20 30 HIEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C ZINC000540459870 939261412 /nfs/dbraw/zinc/26/14/12/939261412.db2.gz SOGGJUMHVXWDND-JOCHJYFZSA-N 0 3 401.514 4.368 20 30 HIEDHN C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522557 939286495 /nfs/dbraw/zinc/28/64/95/939286495.db2.gz WGWYNQXJVLHNKX-UPKQVVFYSA-N 0 3 419.916 4.323 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027755 939435101 /nfs/dbraw/zinc/43/51/01/939435101.db2.gz KUJQOBCYDZTBEI-PYQXHLOTSA-N 0 3 407.562 4.151 20 30 HIEDHN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000541701669 939609234 /nfs/dbraw/zinc/60/92/34/939609234.db2.gz VQKYKJBQSSLHRL-HNNXBMFYSA-N 0 3 400.935 4.375 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000541957585 939662759 /nfs/dbraw/zinc/66/27/59/939662759.db2.gz GQDUSYWYGYFCER-FQEVSTJZSA-N 0 3 415.541 4.395 20 30 HIEDHN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934040 939881295 /nfs/dbraw/zinc/88/12/95/939881295.db2.gz GVAKHDGJDZHAAP-FOIQADDNSA-N 0 3 401.432 4.429 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000543813527 940195064 /nfs/dbraw/zinc/19/50/64/940195064.db2.gz GGUKVUJZQDSTDZ-KRWDZBQOSA-N 0 3 421.932 4.432 20 30 HIEDHN C=CCNC(=O)c1cccc(-c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)c1 ZINC000546362707 940801900 /nfs/dbraw/zinc/80/19/00/940801900.db2.gz IXJMPSMEZFHAKJ-FQEVSTJZSA-N 0 3 420.488 4.171 20 30 HIEDHN N#Cc1ccccc1NC(=O)CCN1CC=C(c2cccc(Br)c2)CC1 ZINC000546588064 940858643 /nfs/dbraw/zinc/85/86/43/940858643.db2.gz FASLYRYTHDKXCL-UHFFFAOYSA-N 0 3 410.315 4.439 20 30 HIEDHN COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000547417083 941061468 /nfs/dbraw/zinc/06/14/68/941061468.db2.gz OZWDZJFSIDPGRB-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000547849184 941078415 /nfs/dbraw/zinc/07/84/15/941078415.db2.gz PEEUKLJBXDYSAB-UHFFFAOYSA-N 0 3 412.486 4.170 20 30 HIEDHN CCN1CC[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549468468 941192940 /nfs/dbraw/zinc/19/29/40/941192940.db2.gz LGRYPXOEFYMLAD-WVFSVQOHSA-N 0 3 414.912 4.103 20 30 HIEDHN Cc1nc(SCC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c(C#N)c(C)c1C ZINC000549615525 941201433 /nfs/dbraw/zinc/20/14/33/941201433.db2.gz DURJEKBGNHSYFF-IBGZPJMESA-N 0 3 416.978 4.043 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000554294566 942093937 /nfs/dbraw/zinc/09/39/37/942093937.db2.gz MCHOXVWDXGNMQL-IAGOWNOFSA-N 0 3 402.560 4.328 20 30 HIEDHN CC(C)N1CC[C@@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555005840 942352348 /nfs/dbraw/zinc/35/23/48/942352348.db2.gz IMZNSPCHJWMIFW-RDAFOJIHSA-N 0 3 422.976 4.035 20 30 HIEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556104753 942805748 /nfs/dbraw/zinc/80/57/48/942805748.db2.gz KAILZSUGNCOZOT-SIKLNZKXSA-N 0 3 417.525 4.216 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000558332689 943511431 /nfs/dbraw/zinc/51/14/31/943511431.db2.gz UMDOIQZFCSTPHI-QFIPXVFZSA-N 0 3 424.520 4.064 20 30 HIEDHN N#Cc1cc(F)ccc1CNC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559266483 943887970 /nfs/dbraw/zinc/88/79/70/943887970.db2.gz DRYBWOUEGXSWSP-UHFFFAOYSA-N 0 3 421.285 4.480 20 30 HIEDHN Cc1c(Cl)cccc1N1CCCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000560195259 944193792 /nfs/dbraw/zinc/19/37/92/944193792.db2.gz AMWIVXZLBMEXFV-UHFFFAOYSA-N 0 3 402.951 4.123 20 30 HIEDHN N#CCc1cccc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000561075729 944430742 /nfs/dbraw/zinc/43/07/42/944430742.db2.gz UYQUUDWLVJUIOH-SANMLTNESA-N 0 3 424.548 4.455 20 30 HIEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1OCc1ccccc1 ZINC000561126193 944468165 /nfs/dbraw/zinc/46/81/65/944468165.db2.gz QKNCKHOOTQTXRO-DENIHFKCSA-N 0 3 402.494 4.228 20 30 HIEDHN CN1C(=O)C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000562200116 945016945 /nfs/dbraw/zinc/01/69/45/945016945.db2.gz COZPTXPNAXJOFK-PKOBYXMFSA-N 0 3 407.823 4.292 20 30 HIEDHN N#CCc1cccc(Br)c1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000564398030 945555043 /nfs/dbraw/zinc/55/50/43/945555043.db2.gz YMRDNZUXUUQFQH-LJQANCHMSA-N 0 3 415.331 4.185 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000565332140 945813416 /nfs/dbraw/zinc/81/34/16/945813416.db2.gz BLRBNGGBTPRLME-PGRDOPGGSA-N 0 3 410.583 4.335 20 30 HIEDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664892 947739519 /nfs/dbraw/zinc/73/95/19/947739519.db2.gz PZELIKNSDIZACB-VFNWGFHPSA-N 0 3 409.917 4.222 20 30 HIEDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664893 947739731 /nfs/dbraw/zinc/73/97/31/947739731.db2.gz PZELIKNSDIZACB-YCRPNKLZSA-N 0 3 409.917 4.222 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(Cc2cccnc2)C2CC2)c1C#N ZINC000573989587 948341975 /nfs/dbraw/zinc/34/19/75/948341975.db2.gz WODHTDSLMVBMIY-UHFFFAOYSA-N 0 3 417.513 4.006 20 30 HIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)N(C)C)cc1 ZINC000575475193 948671026 /nfs/dbraw/zinc/67/10/26/948671026.db2.gz VNXMKCRLEXWZIL-JOCHJYFZSA-N 0 3 411.521 4.181 20 30 HIEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164626620 719071371 /nfs/dbraw/zinc/07/13/71/719071371.db2.gz OVIVXCRGUNDGSM-APWZRJJASA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164628836 719090321 /nfs/dbraw/zinc/09/03/21/719090321.db2.gz OXGQIWUYJCALLE-VQIMIIECSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1c(Cl)c2ccccc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909898 721552185 /nfs/dbraw/zinc/55/21/85/721552185.db2.gz VDLGEOZVZMWZSK-SJLPKXTDSA-N 0 3 422.891 4.241 20 30 HIEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164904743 721563648 /nfs/dbraw/zinc/56/36/48/721563648.db2.gz FLIPNTITNFIPSL-QUCCMNQESA-N 0 3 422.891 4.241 20 30 HIEDHN N#Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164907779 721724052 /nfs/dbraw/zinc/72/40/52/721724052.db2.gz UBZCCYIEUPZOEK-HSZRJFAPSA-N 0 3 419.479 4.239 20 30 HIEDHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342666 861654575 /nfs/dbraw/zinc/65/45/75/861654575.db2.gz VCXJMVUYVUOBPE-DQEYMECFSA-N 0 3 416.569 4.129 20 30 HIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc2c(c1)OCO2 ZINC000019541955 846367981 /nfs/dbraw/zinc/36/79/81/846367981.db2.gz JPPCKLLCPNBWRF-UHFFFAOYSA-N 0 3 411.527 4.078 20 30 HIEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000022850561 846628654 /nfs/dbraw/zinc/62/86/54/846628654.db2.gz VTIKQDWHFGOOIZ-UHFFFAOYSA-N 0 3 414.347 4.037 20 30 HIEDHN N#CC(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000041553680 848230989 /nfs/dbraw/zinc/23/09/89/848230989.db2.gz DUMSVOPINXJILQ-OAHLLOKOSA-N 0 3 404.779 4.489 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2s1 ZINC000047010934 848972726 /nfs/dbraw/zinc/97/27/26/848972726.db2.gz DBJCTBUJCMYBKU-UHFFFAOYSA-N 0 3 406.555 4.081 20 30 HIEDHN CN(C(=O)C1CC1)c1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656085 849498921 /nfs/dbraw/zinc/49/89/21/849498921.db2.gz KBQOBECKOGUVIB-HNNXBMFYSA-N 0 3 408.408 4.294 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(CCC(C)(C)C)CC2)c1C#N ZINC000055933978 850210711 /nfs/dbraw/zinc/21/07/11/850210711.db2.gz JBWDFSVHBCKWCC-UHFFFAOYSA-N 0 3 413.610 4.084 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1cccc2ccccc21 ZINC000060576001 851153639 /nfs/dbraw/zinc/15/36/39/851153639.db2.gz CDKNNBGAQWUKNG-UHFFFAOYSA-N 0 3 415.537 4.461 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000063320450 851659813 /nfs/dbraw/zinc/65/98/13/851659813.db2.gz VPQOWGPMLZUHGO-UHFFFAOYSA-N 0 3 417.557 4.229 20 30 HIEDHN C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)cc1F ZINC000437102432 862290709 /nfs/dbraw/zinc/29/07/09/862290709.db2.gz YBAAFGLNVJKGJN-UWTIGNOOSA-N 0 3 419.298 4.291 20 30 HIEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000064741914 851974647 /nfs/dbraw/zinc/97/46/47/851974647.db2.gz DUQOYJWIBXDCHB-UHFFFAOYSA-N 0 3 420.435 4.181 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065217524 852088266 /nfs/dbraw/zinc/08/82/66/852088266.db2.gz GCZWSLZYBBMOCS-FQEVSTJZSA-N 0 3 418.463 4.188 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000065931269 852321747 /nfs/dbraw/zinc/32/17/47/852321747.db2.gz GUXMLFWOZZLSHO-UHFFFAOYSA-N 0 3 400.526 4.122 20 30 HIEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1OC ZINC000065936431 852324656 /nfs/dbraw/zinc/32/46/56/852324656.db2.gz ISGMKIKSHUPMGJ-UHFFFAOYSA-N 0 3 402.922 4.117 20 30 HIEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110198530 853071200 /nfs/dbraw/zinc/07/12/00/853071200.db2.gz UCUPKTZQEQITED-RUZDIDTESA-N 0 3 419.569 4.129 20 30 HIEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138745003 853395777 /nfs/dbraw/zinc/39/57/77/853395777.db2.gz JTCGSPKIOZLOHR-HNNXBMFYSA-N 0 3 417.227 4.279 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(CN4CCCC4)c3)s2)cc1 ZINC000195651834 853738464 /nfs/dbraw/zinc/73/84/64/853738464.db2.gz GXEJDQUKHHLSHF-UHFFFAOYSA-N 0 3 402.523 4.454 20 30 HIEDHN C=C(C)COc1cc(CNCc2cccc(CN3CCO[C@H](C)C3)c2)ccc1OC ZINC000237257265 853991648 /nfs/dbraw/zinc/99/16/48/853991648.db2.gz UVGBETBUDNPAHY-HXUWFJFHSA-N 0 3 410.558 4.161 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000303257779 854838667 /nfs/dbraw/zinc/83/86/67/854838667.db2.gz HFKHACJUIVFHCF-UHFFFAOYSA-N 0 3 410.905 4.166 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000303305775 854862058 /nfs/dbraw/zinc/86/20/58/854862058.db2.gz JGLILKTWHNNXIJ-SFHVURJKSA-N 0 3 407.942 4.060 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1 ZINC000303330225 854875404 /nfs/dbraw/zinc/87/54/04/854875404.db2.gz WQKSKXOMKAAJJJ-UHFFFAOYSA-N 0 3 419.319 4.001 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000303378680 854900086 /nfs/dbraw/zinc/90/00/86/854900086.db2.gz LZGJUIJWLWSQSC-LJQANCHMSA-N 0 3 414.619 4.075 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000303387811 854904930 /nfs/dbraw/zinc/90/49/30/854904930.db2.gz YPMQMXBLWIZFBM-LJQANCHMSA-N 0 3 420.557 4.340 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CCS[C@H](C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000303740035 855164863 /nfs/dbraw/zinc/16/48/63/855164863.db2.gz YUECUFZMDKJVCH-MEKIYTOJSA-N 0 3 413.583 4.342 20 30 HIEDHN CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000409814863 855668190 /nfs/dbraw/zinc/66/81/90/855668190.db2.gz YXRYASIZHQNAGL-AUSIDOKSSA-N 0 3 413.525 4.042 20 30 HIEDHN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000410368283 855955044 /nfs/dbraw/zinc/95/50/44/855955044.db2.gz ADKQECAZOFVIFQ-HNNXBMFYSA-N 0 3 420.340 4.223 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN[C@H](C)c2cccc(O)c2)c1C#N ZINC000429306972 857597859 /nfs/dbraw/zinc/59/78/59/857597859.db2.gz IPTGILRTWBHXLW-MRXNPFEDSA-N 0 3 406.486 4.003 20 30 HIEDHN CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429494222 857695967 /nfs/dbraw/zinc/69/59/67/857695967.db2.gz REOPDIKCFNGZNB-HSZRJFAPSA-N 0 3 404.558 4.173 20 30 HIEDHN CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000429502824 857701532 /nfs/dbraw/zinc/70/15/32/857701532.db2.gz KKHKFABAUUOBLM-QHCPKHFHSA-N 0 3 404.558 4.173 20 30 HIEDHN C=CCC(C)(C)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000429835014 857903058 /nfs/dbraw/zinc/90/30/58/857903058.db2.gz YOOBOHZVOZWDCP-UHFFFAOYSA-N 0 3 411.512 4.326 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430562426 858219347 /nfs/dbraw/zinc/21/93/47/858219347.db2.gz DMOQNYNPWLJILK-GOSISDBHSA-N 0 3 410.331 4.085 20 30 HIEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000434324310 860284919 /nfs/dbraw/zinc/28/49/19/860284919.db2.gz CKLZEUZGIIZKIQ-GOSISDBHSA-N 0 3 421.451 4.041 20 30 HIEDHN N#CCCn1cc(CN2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435132424 860655940 /nfs/dbraw/zinc/65/59/40/860655940.db2.gz XKKUWXAHHBVOPF-UHFFFAOYSA-N 0 3 404.493 4.074 20 30 HIEDHN N#CCCn1cc(CN2CCC(COc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435134233 860657626 /nfs/dbraw/zinc/65/76/26/860657626.db2.gz GPGRUBCSZDJDFQ-UHFFFAOYSA-N 0 3 401.514 4.150 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000435162523 860671787 /nfs/dbraw/zinc/67/17/87/860671787.db2.gz LMTUWORHKCGAKT-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN N#CCSc1cccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000435366312 860765175 /nfs/dbraw/zinc/76/51/75/860765175.db2.gz LBFTZXUGYWTACY-FQEVSTJZSA-N 0 3 417.538 4.198 20 30 HIEDHN CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1C#N ZINC000435555665 860874228 /nfs/dbraw/zinc/87/42/28/860874228.db2.gz YVHUMPCXCXWBKE-UHFFFAOYSA-N 0 3 406.530 4.474 20 30 HIEDHN C=CCC[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000435766356 861042555 /nfs/dbraw/zinc/04/25/55/861042555.db2.gz WYIDIEHAZKIIJC-DEOSSOPVSA-N 0 3 407.558 4.150 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000439612744 864935135 /nfs/dbraw/zinc/93/51/35/864935135.db2.gz JYOIJQOKRVZTHU-RBUKOAKNSA-N 0 3 410.484 4.000 20 30 HIEDHN CC[C@H](C)[C@@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808236 865926986 /nfs/dbraw/zinc/92/69/86/865926986.db2.gz PVXOOBZSQAXEEF-MHECFPHRSA-N 0 3 420.557 4.310 20 30 HIEDHN C=CCC[C@H](NC(=O)NC1CCN(CCOC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440840500 865951903 /nfs/dbraw/zinc/95/19/03/865951903.db2.gz FQGNRSANJROZHV-IBGZPJMESA-N 0 3 413.484 4.123 20 30 HIEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000443633852 868213115 /nfs/dbraw/zinc/21/31/15/868213115.db2.gz QJQOCKKLPSUYGS-SFHVURJKSA-N 0 3 404.432 4.024 20 30 HIEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000444021407 868548565 /nfs/dbraw/zinc/54/85/65/868548565.db2.gz IBOXWMMJUCRLFE-UHFFFAOYSA-N 0 3 408.546 4.383 20 30 HIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444784866 869003535 /nfs/dbraw/zinc/00/35/35/869003535.db2.gz PFQCBHOPGSNYMT-OAQYLSRUSA-N 0 3 406.526 4.484 20 30 HIEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445894698 869876161 /nfs/dbraw/zinc/87/61/61/869876161.db2.gz RCSVISCQCUJKGV-GOSISDBHSA-N 0 3 414.303 4.105 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000446634299 870540897 /nfs/dbraw/zinc/54/08/97/870540897.db2.gz CRVMQEHLRJVSKU-ZEQRLZLVSA-N 0 3 404.558 4.043 20 30 HIEDHN CC[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447585132 871495133 /nfs/dbraw/zinc/49/51/33/871495133.db2.gz IJBZJNRCNZEMMB-HXUWFJFHSA-N 0 3 414.347 4.398 20 30 HIEDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541274 882578294 /nfs/dbraw/zinc/57/82/94/882578294.db2.gz FOCCDVNGGDDWIB-CQSZACIVSA-N 0 3 414.365 4.381 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460251151 872839098 /nfs/dbraw/zinc/83/90/98/872839098.db2.gz KFESIVGNWQPFAD-UHFFFAOYSA-N 0 3 422.863 4.409 20 30 HIEDHN CC(C)Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460598202 873339996 /nfs/dbraw/zinc/33/99/96/873339996.db2.gz GXFOWVWIUMLMKK-UHFFFAOYSA-N 0 3 414.557 4.185 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462040458 875154333 /nfs/dbraw/zinc/15/43/33/875154333.db2.gz NTSFQPYHHLHROA-KRWDZBQOSA-N 0 3 402.951 4.034 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000462249535 875370138 /nfs/dbraw/zinc/37/01/38/875370138.db2.gz WKYPMNPYKJWJLG-INIZCTEOSA-N 0 3 414.347 4.015 20 30 HIEDHN C=CCOc1cc(OC)ccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000463778178 876897940 /nfs/dbraw/zinc/89/79/40/876897940.db2.gz XLRAVJVGPJLDFL-UHFFFAOYSA-N 0 3 408.542 4.041 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000464816806 878069998 /nfs/dbraw/zinc/06/99/98/878069998.db2.gz ZWBHGAJTICDZOR-UHFFFAOYSA-N 0 3 422.303 4.435 20 30 HIEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464850896 878127096 /nfs/dbraw/zinc/12/70/96/878127096.db2.gz PIMCZKHIYVSDGC-LEWJYISDSA-N 0 3 422.548 4.057 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc2cc(F)ccc2o1 ZINC000464902582 878213885 /nfs/dbraw/zinc/21/38/85/878213885.db2.gz JYYIBOVZIKUTPE-UHFFFAOYSA-N 0 3 401.511 4.065 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000465589778 879072893 /nfs/dbraw/zinc/07/28/93/879072893.db2.gz DHNCWWYPGVRWGW-SMIHKQSGSA-N 0 3 402.542 4.305 20 30 HIEDHN C=CCN1CCC(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000465868397 879519801 /nfs/dbraw/zinc/51/98/01/879519801.db2.gz YQAAXPYJBCFMSX-UHFFFAOYSA-N 0 3 424.492 4.279 20 30 HIEDHN C=CCOc1ccc(CNCc2ccc(I)c(C)c2)cc1OC ZINC000466365170 880123540 /nfs/dbraw/zinc/12/35/40/880123540.db2.gz UTYYACGRUQIOAC-UHFFFAOYSA-N 0 3 423.294 4.463 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC2(CCCCC2)O1 ZINC000466412031 880181591 /nfs/dbraw/zinc/18/15/91/880181591.db2.gz JWWMEFLELQGRTA-LJQANCHMSA-N 0 3 404.624 4.467 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC1 ZINC000471303046 885891113 /nfs/dbraw/zinc/89/11/13/885891113.db2.gz DLFWSQSBJVBEBS-UHFFFAOYSA-N 0 3 409.918 4.160 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000504248585 913114344 /nfs/dbraw/zinc/11/43/44/913114344.db2.gz YASFWJBZTNVRSJ-XMMPIXPASA-N 0 3 405.542 4.051 20 30 HIEDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000473516623 888248471 /nfs/dbraw/zinc/24/84/71/888248471.db2.gz CPUCJXWPIIUDRB-UHFFFAOYSA-N 0 3 412.349 4.380 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1OCc1cnn(C)c1 ZINC000474446286 889312832 /nfs/dbraw/zinc/31/28/32/889312832.db2.gz ODXVFRJOEURSSP-MRXNPFEDSA-N 0 3 410.499 4.078 20 30 HIEDHN C=CCCC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CC1 ZINC000476087451 891010377 /nfs/dbraw/zinc/01/03/77/891010377.db2.gz AINJAUYWHNTYTG-UHFFFAOYSA-N 0 3 421.379 4.155 20 30 HIEDHN C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000504825127 913543259 /nfs/dbraw/zinc/54/32/59/913543259.db2.gz HMTREUPSKVFKIY-NTKDMRAZSA-N 0 3 400.526 4.020 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN(C)[C@@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036482 893168881 /nfs/dbraw/zinc/16/88/81/893168881.db2.gz KZBAMUPKQUMVNP-IEBWSBKVSA-N 0 3 416.587 4.192 20 30 HIEDHN Cn1cc(CNCc2ccc(OCc3ccccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000480029084 895379350 /nfs/dbraw/zinc/37/93/50/895379350.db2.gz YURYIYKPPSPBOK-UHFFFAOYSA-N 0 3 409.493 4.223 20 30 HIEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2cc(Br)ccc2n1 ZINC000505417513 914081731 /nfs/dbraw/zinc/08/17/31/914081731.db2.gz YTIFXDLGWNDTHF-INIZCTEOSA-N 0 3 424.302 4.114 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481930359 897314155 /nfs/dbraw/zinc/31/41/55/897314155.db2.gz WONFQNPEKATLOG-LADGPHEKSA-N 0 3 403.526 4.024 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481930360 897314809 /nfs/dbraw/zinc/31/48/09/897314809.db2.gz WONFQNPEKATLOG-UPVQGACJSA-N 0 3 403.526 4.024 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000482553825 898145765 /nfs/dbraw/zinc/14/57/65/898145765.db2.gz OKTIAVFZXYTOKP-UHFFFAOYSA-N 0 3 407.848 4.017 20 30 HIEDHN N#CC(C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483190208 898849160 /nfs/dbraw/zinc/84/91/60/898849160.db2.gz CSTHCZKTUKEANJ-MRXNPFEDSA-N 0 3 424.382 4.265 20 30 HIEDHN N#CC(C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000483211913 898861897 /nfs/dbraw/zinc/86/18/97/898861897.db2.gz IDRIUBRVYFLLFD-HNNXBMFYSA-N 0 3 407.355 4.324 20 30 HIEDHN CSc1cccc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CCN(C)CC2)c1 ZINC000484404243 899929415 /nfs/dbraw/zinc/92/94/15/899929415.db2.gz MOHARDOHOOJODP-QGZVFWFLSA-N 0 3 409.555 4.175 20 30 HIEDHN C=CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484613772 900070440 /nfs/dbraw/zinc/07/04/40/900070440.db2.gz BSQQTZUQULQJJH-OAQYLSRUSA-N 0 3 400.563 4.436 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000485388849 900685029 /nfs/dbraw/zinc/68/50/29/900685029.db2.gz UQFKGESDNHLOPV-UHFFFAOYSA-N 0 3 415.497 4.341 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000486469356 901629862 /nfs/dbraw/zinc/62/98/62/901629862.db2.gz OEAVEAVFWAVWRE-NRFANRHFSA-N 0 3 424.520 4.073 20 30 HIEDHN N#Cc1c(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cn2ccccc12 ZINC000486842262 901890301 /nfs/dbraw/zinc/89/03/01/901890301.db2.gz BYLBLGVYDMOKNY-CJFMBICVSA-N 0 3 409.493 4.415 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487740972 902332671 /nfs/dbraw/zinc/33/26/71/902332671.db2.gz PQOBYCOPJJFSKV-DNQXCXABSA-N 0 3 404.558 4.358 20 30 HIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866795 903637456 /nfs/dbraw/zinc/63/74/56/903637456.db2.gz SJAMSVIJTNSDNF-YOEHRIQHSA-N 0 3 413.319 4.127 20 30 HIEDHN CC1(C#N)CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000506048156 914743190 /nfs/dbraw/zinc/74/31/90/914743190.db2.gz VOFJWAGQNRWTQB-NRFANRHFSA-N 0 3 400.469 4.057 20 30 HIEDHN COc1ccc([C@H]2CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000491137848 904449653 /nfs/dbraw/zinc/44/96/53/904449653.db2.gz QLAUSWBEUJNJIB-OAQYLSRUSA-N 0 3 402.498 4.313 20 30 HIEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@H]2C1 ZINC000492123066 904802720 /nfs/dbraw/zinc/80/27/20/904802720.db2.gz VBBDQWZBGYJCRK-RXVVDRJESA-N 0 3 424.932 4.349 20 30 HIEDHN COc1ccc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000506261230 914869850 /nfs/dbraw/zinc/86/98/50/914869850.db2.gz FDOJOIGUPQKGJH-FQEVSTJZSA-N 0 3 407.514 4.228 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494447424 905730947 /nfs/dbraw/zinc/73/09/47/905730947.db2.gz ZJZSLYMXXDWOTB-RYGJVYDSSA-N 0 3 404.963 4.424 20 30 HIEDHN CS[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H]1N(C)C ZINC000495566861 906506494 /nfs/dbraw/zinc/50/64/94/906506494.db2.gz ZWKOUIVQDZMCFP-PXNSSMCTSA-N 0 3 415.946 4.122 20 30 HIEDHN CS[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H]1N(C)C ZINC000495695380 906525498 /nfs/dbraw/zinc/52/54/98/906525498.db2.gz CGXWIIFCNRUGDE-AZUAARDMSA-N 0 3 415.946 4.122 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CCN(C)CC1 ZINC000512851422 921356971 /nfs/dbraw/zinc/35/69/71/921356971.db2.gz JFMPVFOHQYAPMH-MRXNPFEDSA-N 0 3 408.477 4.048 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000499724560 908891037 /nfs/dbraw/zinc/89/10/37/908891037.db2.gz JPASSVFPPVCYCJ-MRXNPFEDSA-N 0 3 414.347 4.015 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)CC2)cc1 ZINC000502291697 911247000 /nfs/dbraw/zinc/24/70/00/911247000.db2.gz JKAIBVJEBDZBDY-DEOSSOPVSA-N 0 3 400.526 4.022 20 30 HIEDHN N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCN3Cc3ccccc3)cc2)nc1 ZINC000513260533 921664601 /nfs/dbraw/zinc/66/46/01/921664601.db2.gz GZWUFZSVOVWMIO-JOCHJYFZSA-N 0 3 412.493 4.140 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000502529719 911532391 /nfs/dbraw/zinc/53/23/91/911532391.db2.gz IKWHCCOYZHTLBX-IBGZPJMESA-N 0 3 419.447 4.155 20 30 HIEDHN C=CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000503230203 912210199 /nfs/dbraw/zinc/21/01/99/912210199.db2.gz IHCWTMHXHBIYRA-UHFFFAOYSA-N 0 3 420.601 4.295 20 30 HIEDHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(SC)cc1OC ZINC000506278854 914880253 /nfs/dbraw/zinc/88/02/53/914880253.db2.gz BWPAEYFVKZEXKH-UHFFFAOYSA-N 0 3 411.571 4.005 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3OCCc4ccccc43)sc2C1 ZINC000507261617 916023827 /nfs/dbraw/zinc/02/38/27/916023827.db2.gz VYRRGWYKGACLON-KKSFZXQISA-N 0 3 423.582 4.319 20 30 HIEDHN CCOc1cc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000508601881 917372423 /nfs/dbraw/zinc/37/24/23/917372423.db2.gz BERUXQIUFRCKDA-OALUTQOASA-N 0 3 423.557 4.396 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)[C@H](C)c2ccccn2)c1C#N ZINC000509084953 917828206 /nfs/dbraw/zinc/82/82/06/917828206.db2.gz QAAVDZUIVVGAGX-GOSISDBHSA-N 0 3 405.502 4.035 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000509372078 918037871 /nfs/dbraw/zinc/03/78/71/918037871.db2.gz LUQLZJYJXXFVPM-GOSISDBHSA-N 0 3 412.921 4.268 20 30 HIEDHN CC(C)(C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1cc(F)cc(C#N)c1 ZINC000509817754 918420831 /nfs/dbraw/zinc/42/08/31/918420831.db2.gz DTDZNRZKTWTQKV-UHFFFAOYSA-N 0 3 411.546 4.205 20 30 HIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645242 919086868 /nfs/dbraw/zinc/08/68/68/919086868.db2.gz HFXMNXQMNVYOMY-LEWJYISDSA-N 0 3 418.541 4.108 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC=C(c3ccco3)C2)c1C#N ZINC000511120654 919733271 /nfs/dbraw/zinc/73/32/71/919733271.db2.gz CPSAVZUTXXTPTG-UHFFFAOYSA-N 0 3 418.497 4.329 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(-c2cccc(C)c2)no1 ZINC000511144003 919763905 /nfs/dbraw/zinc/76/39/05/919763905.db2.gz PNCXVNXLJPBAHO-UHFFFAOYSA-N 0 3 424.574 4.143 20 30 HIEDHN COc1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)cc1OCCCC#N ZINC000512359488 921102964 /nfs/dbraw/zinc/10/29/64/921102964.db2.gz HKBMJPZDMOZNMZ-UHFFFAOYSA-N 0 3 413.562 4.039 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490088 921842456 /nfs/dbraw/zinc/84/24/56/921842456.db2.gz LXSGNUNKLBETQQ-BEFAXECRSA-N 0 3 423.542 4.449 20 30 HIEDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820654 922813863 /nfs/dbraw/zinc/81/38/63/922813863.db2.gz VBYPGMVTDRFAOC-AUSIDOKSSA-N 0 3 403.526 4.006 20 30 HIEDHN COc1ccc(Cl)cc1NC(=O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000516441710 923735219 /nfs/dbraw/zinc/73/52/19/923735219.db2.gz BBTAXVQXHHWFHW-UHFFFAOYSA-N 0 3 411.811 4.357 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)CC1 ZINC000518514230 927320093 /nfs/dbraw/zinc/32/00/93/927320093.db2.gz IKVJSNLEOQMDRE-UHFFFAOYSA-N 0 3 414.481 4.141 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000518531014 927331222 /nfs/dbraw/zinc/33/12/22/927331222.db2.gz BVVMPDDCBBNNHM-LJQANCHMSA-N 0 3 414.550 4.276 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 ZINC000518582191 927361179 /nfs/dbraw/zinc/36/11/79/927361179.db2.gz HKLNKVRHFREOLG-UHFFFAOYSA-N 0 3 418.969 4.174 20 30 HIEDHN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1(C#N)CCCCC1 ZINC000518863361 927571650 /nfs/dbraw/zinc/57/16/50/927571650.db2.gz FUKMAKUMVVTMMN-UHFFFAOYSA-N 0 3 407.562 4.064 20 30 HIEDHN CC(C)(C)c1ccc(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000519202378 927825173 /nfs/dbraw/zinc/82/51/73/927825173.db2.gz OFSSQFRRRFYDLX-OAQYLSRUSA-N 0 3 408.542 4.139 20 30 HIEDHN CCC[C@@H](NCc1cccc(OCCCC#N)c1)C(=O)N1CCc2sccc2C1 ZINC000520219826 928396903 /nfs/dbraw/zinc/39/69/03/928396903.db2.gz MYWUWRGDRWBOJC-OAQYLSRUSA-N 0 3 411.571 4.274 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000521080800 928978979 /nfs/dbraw/zinc/97/89/79/928978979.db2.gz MVBCSXXAGPKCNW-XMMPIXPASA-N 0 3 402.542 4.093 20 30 HIEDHN N#CC(C(=O)Nc1ccc(-c2ncon2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000521507609 929259058 /nfs/dbraw/zinc/25/90/58/929259058.db2.gz QQBAALSMURUNRM-ZDUSSCGKSA-N 0 3 423.404 4.384 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)CC1 ZINC000524668932 929782855 /nfs/dbraw/zinc/78/28/55/929782855.db2.gz FIPQCKULOBHJND-HSZRJFAPSA-N 0 3 417.557 4.002 20 30 HIEDHN C=CCc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000524868241 929865194 /nfs/dbraw/zinc/86/51/94/929865194.db2.gz JXKMZDRCTFUJCR-IBGZPJMESA-N 0 3 408.542 4.169 20 30 HIEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000524895332 929876410 /nfs/dbraw/zinc/87/64/10/929876410.db2.gz VFLYAEDLGMSINB-FQEVSTJZSA-N 0 3 424.976 4.183 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)CC1 ZINC000524991327 929956988 /nfs/dbraw/zinc/95/69/88/929956988.db2.gz HHSNWRCFDNRIBC-UHFFFAOYSA-N 0 3 421.520 4.460 20 30 HIEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000527484729 930666930 /nfs/dbraw/zinc/66/69/30/930666930.db2.gz SRUDHFRJTUEFQA-OAHLLOKOSA-N 0 3 401.495 4.248 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2ccccc2)CCOCC1 ZINC000532709187 931600498 /nfs/dbraw/zinc/60/04/98/931600498.db2.gz RQDHWTVJHCLDQW-SFHVURJKSA-N 0 3 409.555 4.315 20 30 HIEDHN COCCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccs1 ZINC000532893509 931682239 /nfs/dbraw/zinc/68/22/39/931682239.db2.gz WZYCDKKWNTYOTJ-UHFFFAOYSA-N 0 3 403.573 4.037 20 30 HIEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CCC(C)(C)C)CC1 ZINC000532930429 931702031 /nfs/dbraw/zinc/70/20/31/931702031.db2.gz DGMHFJVDHQTXQZ-KRWDZBQOSA-N 0 3 416.635 4.269 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2)CCOCC1 ZINC000533059706 931757568 /nfs/dbraw/zinc/75/75/68/931757568.db2.gz AJBAMDIOJALYCX-GOSISDBHSA-N 0 3 409.555 4.172 20 30 HIEDHN CC1CCC(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CC1 ZINC000533436178 931868474 /nfs/dbraw/zinc/86/84/74/931868474.db2.gz WZFXOKXHVIKZHN-UHFFFAOYSA-N 0 3 414.619 4.023 20 30 HIEDHN COc1ccc2[nH]cc(C3=CCN(CCOc4ccc(C#N)cc4OC)CC3)c2c1 ZINC000533487072 931882656 /nfs/dbraw/zinc/88/26/56/931882656.db2.gz SOJISRYLHKHCDE-UHFFFAOYSA-N 0 3 403.482 4.225 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)CC1 ZINC000534484486 932523277 /nfs/dbraw/zinc/52/32/77/932523277.db2.gz QIFPHVZHBBFJEH-UHFFFAOYSA-N 0 3 409.530 4.355 20 30 HIEDHN CN1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000535466566 933156742 /nfs/dbraw/zinc/15/67/42/933156742.db2.gz SZRHWBGCYOQDOT-JWQCQUIFSA-N 0 3 411.505 4.312 20 30 HIEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535850050 933431420 /nfs/dbraw/zinc/43/14/20/933431420.db2.gz FDQFWSHRYLLDGF-IBGZPJMESA-N 0 3 408.546 4.408 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](c2ccccc2)C2CC2)c1C#N ZINC000537288399 933698425 /nfs/dbraw/zinc/69/84/25/933698425.db2.gz WXNJIQLJOWRWOO-HSZRJFAPSA-N 0 3 402.498 4.297 20 30 HIEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc2ccccc2n1C(F)F ZINC000562494561 945091193 /nfs/dbraw/zinc/09/11/93/945091193.db2.gz TZHHVJNVAKYBGK-LLVKDONJSA-N 0 3 410.302 4.258 20 30 HIEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537636740 938342551 /nfs/dbraw/zinc/34/25/51/938342551.db2.gz QCBQNAXQQQPKLY-UHFFFAOYSA-N 0 3 414.431 4.411 20 30 HIEDHN C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000538113282 938505374 /nfs/dbraw/zinc/50/53/74/938505374.db2.gz CSHFLPYJNUGYMG-SFHVURJKSA-N 0 3 419.550 4.326 20 30 HIEDHN N#Cc1c(NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)sc2c1CCCCC2 ZINC000538186580 938543283 /nfs/dbraw/zinc/54/32/83/938543283.db2.gz SXONFWQLDLZETJ-JTSKRJEESA-N 0 3 409.555 4.195 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277000 938831931 /nfs/dbraw/zinc/83/19/31/938831931.db2.gz QDNUBEVVECHQPX-XVTZWQNCSA-N 0 3 424.520 4.172 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000539333187 938843252 /nfs/dbraw/zinc/84/32/52/938843252.db2.gz TZFUDTGVOQZIEH-ZCYQVOJMSA-N 0 3 400.526 4.093 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000539333184 938843299 /nfs/dbraw/zinc/84/32/99/938843299.db2.gz TZFUDTGVOQZIEH-NOZRDPDXSA-N 0 3 400.526 4.093 20 30 HIEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490686 938867656 /nfs/dbraw/zinc/86/76/56/938867656.db2.gz HNOKUZGXRRYMEZ-ZSEKCTLFSA-N 0 3 411.889 4.051 20 30 HIEDHN CC(C)Oc1c(F)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000541465979 939527004 /nfs/dbraw/zinc/52/70/04/939527004.db2.gz CALUXLPBHGZBCY-UHFFFAOYSA-N 0 3 416.472 4.219 20 30 HIEDHN C[C@H](c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1)N1CCOCC1 ZINC000542832509 939861851 /nfs/dbraw/zinc/86/18/51/939861851.db2.gz JIFVBHCLTNFTMH-HXUWFJFHSA-N 0 3 404.558 4.028 20 30 HIEDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@H]2C ZINC000542880766 939864920 /nfs/dbraw/zinc/86/49/20/939864920.db2.gz HBPIYJUXZPKZTE-GJZGRUSLSA-N 0 3 409.555 4.453 20 30 HIEDHN C[C@@H]1CN(c2ccccc2NC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000543758897 940176641 /nfs/dbraw/zinc/17/66/41/940176641.db2.gz IZKXFHJOOHEEKW-WOJBJXKFSA-N 0 3 404.558 4.248 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000544531917 940473467 /nfs/dbraw/zinc/47/34/67/940473467.db2.gz RDSOLLSVIANIPH-HRAATJIYSA-N 0 3 406.530 4.185 20 30 HIEDHN N#CCCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000552012147 941568768 /nfs/dbraw/zinc/56/87/68/941568768.db2.gz SGQYUUDUWXJFKU-FQEVSTJZSA-N 0 3 401.432 4.230 20 30 HIEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000553409211 941880671 /nfs/dbraw/zinc/88/06/71/941880671.db2.gz OUNHCTLEDKAZTG-HZPDHXFCSA-N 0 3 408.571 4.386 20 30 HIEDHN C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](c1ccccc1)N(C)C ZINC000554072968 942029695 /nfs/dbraw/zinc/02/96/95/942029695.db2.gz HORASRRYYTUVBD-IERDGZPVSA-N 0 3 419.554 4.418 20 30 HIEDHN CC(C)N1CC[C@@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555005833 942352331 /nfs/dbraw/zinc/35/23/31/942352331.db2.gz IMZNSPCHJWMIFW-CDYWNXMYSA-N 0 3 422.976 4.035 20 30 HIEDHN C=C(C)[C@H](CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)OCC ZINC000555161411 942411350 /nfs/dbraw/zinc/41/13/50/942411350.db2.gz HBUQKYGAZUITSY-FQEVSTJZSA-N 0 3 423.395 4.243 20 30 HIEDHN CCc1sc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000559081183 943829863 /nfs/dbraw/zinc/82/98/63/943829863.db2.gz DKUQSSSKRUFVHV-UHFFFAOYSA-N 0 3 420.376 4.149 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000561537914 944663454 /nfs/dbraw/zinc/66/34/54/944663454.db2.gz GQLPCTLXEDTGPR-IBGZPJMESA-N 0 3 411.468 4.376 20 30 HIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000562050296 944912378 /nfs/dbraw/zinc/91/23/78/944912378.db2.gz YHUMQPBRVNZXSM-NRFANRHFSA-N 0 3 422.573 4.243 20 30 HIEDHN CN(C)C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccc(F)cc1 ZINC000562173986 945002586 /nfs/dbraw/zinc/00/25/86/945002586.db2.gz ZABANMQABIPTGG-QHCPKHFHSA-N 0 3 402.473 4.045 20 30 HIEDHN N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)ccn1 ZINC000565922046 945926384 /nfs/dbraw/zinc/92/63/84/945926384.db2.gz JXSSABRGXUKBQM-FQEVSTJZSA-N 0 3 413.481 4.142 20 30 HIEDHN CN(CCc1nc(-c2ccccc2)no1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000568445445 946552052 /nfs/dbraw/zinc/55/20/52/946552052.db2.gz UTELWWFUIJRUHA-UHFFFAOYSA-N 0 3 412.497 4.188 20 30 HIEDHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000572318549 947882732 /nfs/dbraw/zinc/88/27/32/947882732.db2.gz NPKQHNNSTHXRPE-FQEVSTJZSA-N 0 3 400.544 4.015 20 30 HIEDHN CN1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccccc1 ZINC000574006531 948348685 /nfs/dbraw/zinc/34/86/85/948348685.db2.gz SUUNPIRDSQUYRP-XZOQPEGZSA-N 0 3 413.481 4.312 20 30 HIEDHN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164627205 719081165 /nfs/dbraw/zinc/08/11/65/719081165.db2.gz PRYRESSUANGVLI-QZTJIDSGSA-N 0 3 402.876 4.252 20 30 HIEDHN CCOc1cc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000026455560 847153008 /nfs/dbraw/zinc/15/30/08/847153008.db2.gz DSVGIKFIYWRYAU-UHFFFAOYSA-N 0 3 403.429 4.019 20 30 HIEDHN C=CCc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc(OC)c1OC ZINC000029376528 847555752 /nfs/dbraw/zinc/55/57/52/847555752.db2.gz PZJUZDPBNNJMQM-UHFFFAOYSA-N 0 3 423.557 4.135 20 30 HIEDHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000041494932 848221423 /nfs/dbraw/zinc/22/14/23/848221423.db2.gz IAQZYTGADRQFRL-KRWDZBQOSA-N 0 3 406.449 4.310 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(-c2ccccc2)no1 ZINC000054145151 849815753 /nfs/dbraw/zinc/81/57/53/849815753.db2.gz ODJUAPBTNKESEN-UHFFFAOYSA-N 0 3 409.559 4.440 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000059000817 850976330 /nfs/dbraw/zinc/97/63/30/850976330.db2.gz KEAYEPLITFUHBB-UHFFFAOYSA-N 0 3 421.472 4.073 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1Cl ZINC000060269441 851057493 /nfs/dbraw/zinc/05/74/93/851057493.db2.gz WEOWKMWTHDYPEA-FQEVSTJZSA-N 0 3 415.896 4.361 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000062502093 851566158 /nfs/dbraw/zinc/56/61/58/851566158.db2.gz LRPIGBIHUXPLBR-MRXNPFEDSA-N 0 3 418.463 4.411 20 30 HIEDHN Cc1c([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(C)cc1 ZINC000437081415 862277255 /nfs/dbraw/zinc/27/72/55/862277255.db2.gz HJMYUJMLHVIMJI-FEPNQTLGSA-N 0 3 416.529 4.192 20 30 HIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000064764266 851979929 /nfs/dbraw/zinc/97/99/29/851979929.db2.gz JFQJUFLIXHOOIH-MRXNPFEDSA-N 0 3 418.463 4.411 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065121941 852072006 /nfs/dbraw/zinc/07/20/06/852072006.db2.gz BOBOPHIYKZEVTC-HXUWFJFHSA-N 0 3 419.447 4.155 20 30 HIEDHN Cc1ccc(-c2nc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000065930946 852321983 /nfs/dbraw/zinc/32/19/83/852321983.db2.gz PFWGVIAKSRMZIR-UHFFFAOYSA-N 0 3 418.566 4.123 20 30 HIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000105261531 852694863 /nfs/dbraw/zinc/69/48/63/852694863.db2.gz QLWAUNHIYRFLJH-QGZVFWFLSA-N 0 3 423.856 4.284 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(F)c(Br)c3)CC2)cc1 ZINC000108202957 852829293 /nfs/dbraw/zinc/82/92/93/852829293.db2.gz MVQCGMIOMOODJB-UHFFFAOYSA-N 0 3 402.311 4.168 20 30 HIEDHN COc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OCCCC#N ZINC000147210405 853584211 /nfs/dbraw/zinc/58/42/11/853584211.db2.gz MJUJTQCPCSXVSI-DEOSSOPVSA-N 0 3 408.498 4.390 20 30 HIEDHN CC[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000237020930 853952586 /nfs/dbraw/zinc/95/25/86/853952586.db2.gz GTFIQFAWVSAMAR-OAQYLSRUSA-N 0 3 402.498 4.476 20 30 HIEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237494643 854045518 /nfs/dbraw/zinc/04/55/18/854045518.db2.gz NDCHCNHCGKNRGG-INIZCTEOSA-N 0 3 419.447 4.123 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)n1 ZINC000237832044 854105307 /nfs/dbraw/zinc/10/53/07/854105307.db2.gz OVDZPKHDJCUXLF-UHFFFAOYSA-N 0 3 417.582 4.307 20 30 HIEDHN N#Cc1ccc2ncc(CNCc3ccccc3-c3ccc(Cn4cccn4)cc3)n2c1 ZINC000237856972 854109347 /nfs/dbraw/zinc/10/93/47/854109347.db2.gz VKYPDSRNBJQALK-UHFFFAOYSA-N 0 3 418.504 4.408 20 30 HIEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)nnc1C1CC1 ZINC000302947313 854692560 /nfs/dbraw/zinc/69/25/60/854692560.db2.gz LOHCDHKRUYSBFM-MRXNPFEDSA-N 0 3 421.551 4.434 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)CC1 ZINC000303300960 854860118 /nfs/dbraw/zinc/86/01/18/854860118.db2.gz PYJWGCAJLNFBPR-UHFFFAOYSA-N 0 3 414.962 4.429 20 30 HIEDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000426747648 856451396 /nfs/dbraw/zinc/45/13/96/856451396.db2.gz QUFZPNJAQKUGOD-SFHVURJKSA-N 0 3 411.571 4.221 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000427118850 856649224 /nfs/dbraw/zinc/64/92/24/856649224.db2.gz BXXATRNDEGVYEP-MRXNPFEDSA-N 0 3 401.536 4.254 20 30 HIEDHN C=C(C)COc1cccc(NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429058137 857482900 /nfs/dbraw/zinc/48/29/00/857482900.db2.gz CXSOYOHPVUOUPL-BGYRXZFFSA-N 0 3 415.578 4.385 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429408800 857649140 /nfs/dbraw/zinc/64/91/40/857649140.db2.gz NTENFYKWIXJFKA-ROOHIHILSA-N 0 3 406.368 4.105 20 30 HIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)s1 ZINC000430597366 858232761 /nfs/dbraw/zinc/23/27/61/858232761.db2.gz LKMTXVLCLDNXDF-LBPRGKRZSA-N 0 3 402.907 4.114 20 30 HIEDHN C=CCN1C(=O)N(C[C@@H]2CCCN(Cc3cccs3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431165820 858481580 /nfs/dbraw/zinc/48/15/80/858481580.db2.gz HHAUWKQEGWDOJA-IFMALSPDSA-N 0 3 423.582 4.022 20 30 HIEDHN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1Cl ZINC000437732542 863061134 /nfs/dbraw/zinc/06/11/34/863061134.db2.gz MSGHVMXBWCAAQM-FPOVZHCZSA-N 0 3 406.917 4.473 20 30 HIEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000431756261 858791732 /nfs/dbraw/zinc/79/17/32/858791732.db2.gz RBWCGGQFDMUTNF-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085240 858978674 /nfs/dbraw/zinc/97/86/74/858978674.db2.gz NQGRBGBHNFLOND-GOSISDBHSA-N 0 3 420.395 4.064 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085241 858978829 /nfs/dbraw/zinc/97/88/29/858978829.db2.gz NQGRBGBHNFLOND-SFHVURJKSA-N 0 3 420.395 4.064 20 30 HIEDHN N#CCCC[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000433022588 859484713 /nfs/dbraw/zinc/48/47/13/859484713.db2.gz WGIDYHJMVBTYOQ-LJQANCHMSA-N 0 3 421.360 4.248 20 30 HIEDHN Cc1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)n(-c2ccccc2F)n1 ZINC000433022792 859484770 /nfs/dbraw/zinc/48/47/70/859484770.db2.gz MAVGYQRVHCVIFQ-FQEVSTJZSA-N 0 3 405.477 4.283 20 30 HIEDHN N#CCCn1cc(CNc2cccc(CN3CCSCC3)c2)c(-c2ccncc2)n1 ZINC000433309539 859630893 /nfs/dbraw/zinc/63/08/93/859630893.db2.gz ATVZGXOKZBXAQM-UHFFFAOYSA-N 0 3 418.570 4.020 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(O[C@H]4CCOC4)cc3)n2)cc1 ZINC000434622085 860435403 /nfs/dbraw/zinc/43/54/03/860435403.db2.gz AIBBWFKRUDVOTN-PMACEKPBSA-N 0 3 420.490 4.476 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435165518 860673152 /nfs/dbraw/zinc/67/31/52/860673152.db2.gz LMGJRWQHPXQYDO-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000467781674 881602977 /nfs/dbraw/zinc/60/29/77/881602977.db2.gz BTUIKNSMCJTSKJ-INIZCTEOSA-N 0 3 409.368 4.011 20 30 HIEDHN Cc1sc(NC(=O)CN2CCN(C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000438564174 863997286 /nfs/dbraw/zinc/99/72/86/863997286.db2.gz QSPJGTMZKNCMHX-UHFFFAOYSA-N 0 3 402.608 4.008 20 30 HIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438643786 864080705 /nfs/dbraw/zinc/08/07/05/864080705.db2.gz GJGDHCFATRDKOG-UHFFFAOYSA-N 0 3 408.399 4.312 20 30 HIEDHN N#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1C(F)(F)F ZINC000438645290 864083819 /nfs/dbraw/zinc/08/38/19/864083819.db2.gz XNFVSIUGCWSVEK-UHFFFAOYSA-N 0 3 412.481 4.060 20 30 HIEDHN COc1cccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)N2CCCC2)c1 ZINC000440216459 865453860 /nfs/dbraw/zinc/45/38/60/865453860.db2.gz OVTAHXZJXCTKIU-PKTZIBPZSA-N 0 3 406.530 4.176 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440258707 865508850 /nfs/dbraw/zinc/50/88/50/865508850.db2.gz UNGCDCGAKXUWBG-OAQYLSRUSA-N 0 3 400.473 4.083 20 30 HIEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000468392012 882336118 /nfs/dbraw/zinc/33/61/18/882336118.db2.gz ISGIFCGGFHEVSP-UHFFFAOYSA-N 0 3 408.424 4.297 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000446634297 870540719 /nfs/dbraw/zinc/54/07/19/870540719.db2.gz CRVMQEHLRJVSKU-RPWUZVMVSA-N 0 3 404.558 4.043 20 30 HIEDHN CC[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537542 871400576 /nfs/dbraw/zinc/40/05/76/871400576.db2.gz WRVRDQHZDWGEKX-FDDCHVKYSA-N 0 3 411.571 4.220 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC#Cc1cccc(Cl)c1 ZINC000448096782 871938867 /nfs/dbraw/zinc/93/88/67/871938867.db2.gz JKQLHIQEYCAVNG-UHFFFAOYSA-N 0 3 400.979 4.290 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460783563 873640200 /nfs/dbraw/zinc/64/02/00/873640200.db2.gz PDSYNSLMTDTJAX-SQNIBIBYSA-N 0 3 401.530 4.052 20 30 HIEDHN C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460955218 873852387 /nfs/dbraw/zinc/85/23/87/873852387.db2.gz DKNXNKUTQVPVGG-ZWKOTPCHSA-N 0 3 415.607 4.074 20 30 HIEDHN N#C[C@H]1CCC[C@H]1NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952176 875082620 /nfs/dbraw/zinc/08/26/20/875082620.db2.gz ZVHISGRDXNKOQQ-VQIMIIECSA-N 0 3 409.361 4.293 20 30 HIEDHN C=CCOc1cccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000462733734 875807259 /nfs/dbraw/zinc/80/72/59/875807259.db2.gz GGIJWSNRNOGLQX-FQEVSTJZSA-N 0 3 402.441 4.138 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000463210639 876269668 /nfs/dbraw/zinc/26/96/68/876269668.db2.gz OIKSLFBBGSDDDH-KSEOMHKRSA-N 0 3 417.981 4.301 20 30 HIEDHN N#CC(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463242 877684744 /nfs/dbraw/zinc/68/47/44/877684744.db2.gz FHTOIBWOLKBWRD-QGZVFWFLSA-N 0 3 422.428 4.307 20 30 HIEDHN N#CC(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464466361 877689141 /nfs/dbraw/zinc/68/91/41/877689141.db2.gz LIFHNFSUEFXRNI-SFHVURJKSA-N 0 3 421.382 4.383 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000464510536 877733776 /nfs/dbraw/zinc/73/37/76/877733776.db2.gz LMZLLDMUCKWUCB-CQSZACIVSA-N 0 3 407.380 4.055 20 30 HIEDHN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000464788399 878036367 /nfs/dbraw/zinc/03/63/67/878036367.db2.gz JWTDDQGTAKWYGP-JOCHJYFZSA-N 0 3 419.504 4.021 20 30 HIEDHN C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CCN1Cc1ccccc1 ZINC000464833513 878092957 /nfs/dbraw/zinc/09/29/57/878092957.db2.gz FAZAGLDHFZSOQR-NRFANRHFSA-N 0 3 414.553 4.334 20 30 HIEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464839328 878101925 /nfs/dbraw/zinc/10/19/25/878101925.db2.gz PUMJGLVMTCNBRV-QZTJIDSGSA-N 0 3 422.598 4.032 20 30 HIEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464850898 878125597 /nfs/dbraw/zinc/12/55/97/878125597.db2.gz PIMCZKHIYVSDGC-RTWAWAEBSA-N 0 3 422.548 4.057 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)ccc1OC ZINC000512370597 921111440 /nfs/dbraw/zinc/11/14/40/921111440.db2.gz UJQZRRJLRCCZFG-UHFFFAOYSA-N 0 3 400.563 4.311 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000465854270 879499101 /nfs/dbraw/zinc/49/91/01/879499101.db2.gz HBJJIIXAGRNLDR-JOCHJYFZSA-N 0 3 413.949 4.388 20 30 HIEDHN CCC(CC)(CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000466354790 880112158 /nfs/dbraw/zinc/11/21/58/880112158.db2.gz QZFHGVPYAANUHC-UHFFFAOYSA-N 0 3 406.574 4.389 20 30 HIEDHN COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)N2CCCC2)cc1 ZINC000503513212 912558399 /nfs/dbraw/zinc/55/83/99/912558399.db2.gz ZCSMNNRDDFKOEL-JOCHJYFZSA-N 0 3 422.529 4.313 20 30 HIEDHN COc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000467151039 880888989 /nfs/dbraw/zinc/88/89/89/880888989.db2.gz VNCJSXJPWUIYKB-UHFFFAOYSA-N 0 3 402.498 4.249 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC000469103549 883195143 /nfs/dbraw/zinc/19/51/43/883195143.db2.gz ZHPQTUSJMWFHTL-UHFFFAOYSA-N 0 3 402.951 4.052 20 30 HIEDHN N#Cc1ccc(CN(CCC(=O)Nc2cc(N)ccc2F)Cc2cccc(F)c2)cc1 ZINC000470963058 885461554 /nfs/dbraw/zinc/46/15/54/885461554.db2.gz YNXUAXZBNPBSMU-UHFFFAOYSA-N 0 3 420.463 4.450 20 30 HIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474241144 889088776 /nfs/dbraw/zinc/08/87/76/889088776.db2.gz UFIOJJUBCODRKW-PZJWPPBQSA-N 0 3 422.598 4.083 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1 ZINC000474694613 889554573 /nfs/dbraw/zinc/55/45/73/889554573.db2.gz CGWUYWUCXGPYNR-UHFFFAOYSA-N 0 3 416.319 4.017 20 30 HIEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000475274133 890168584 /nfs/dbraw/zinc/16/85/84/890168584.db2.gz HUIYKGUSOQIHLJ-UHFFFAOYSA-N 0 3 408.542 4.275 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475520674 890442613 /nfs/dbraw/zinc/44/26/13/890442613.db2.gz SJDPRROCJZPPKW-GMAHTHKFSA-N 0 3 408.521 4.107 20 30 HIEDHN Cn1cc(CNc2cccc(CN3CCSCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478358183 893610526 /nfs/dbraw/zinc/61/05/26/893610526.db2.gz SPBGXWDZWYSCQY-UHFFFAOYSA-N 0 3 403.555 4.120 20 30 HIEDHN C=C(C)[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000479766502 895068501 /nfs/dbraw/zinc/06/85/01/895068501.db2.gz GMKWOMWVFDBVTM-JOCHJYFZSA-N 0 3 417.500 4.364 20 30 HIEDHN CCCCOc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000479978233 895331832 /nfs/dbraw/zinc/33/18/32/895331832.db2.gz JMHXRHINVKKSQV-UHFFFAOYSA-N 0 3 404.514 4.436 20 30 HIEDHN C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](c1ccccc1)N(C)C ZINC000480347121 895752603 /nfs/dbraw/zinc/75/26/03/895752603.db2.gz IUNOXDRDOBMPDG-YCRPNKLZSA-N 0 3 422.920 4.210 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000480348580 895755358 /nfs/dbraw/zinc/75/53/58/895755358.db2.gz NKENPVBIFYCLKQ-QVKFZJNVSA-N 0 3 422.920 4.210 20 30 HIEDHN C=CCc1cc(CNCc2cccc(-c3nc(C(=O)OC)cs3)c2)cc(OC)c1O ZINC000480467758 895850494 /nfs/dbraw/zinc/85/04/94/895850494.db2.gz HDYOMJOOFBMKGI-UHFFFAOYSA-N 0 3 424.522 4.329 20 30 HIEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000480507086 895875434 /nfs/dbraw/zinc/87/54/34/895875434.db2.gz UNNARBHBPWTWDP-UHFFFAOYSA-N 0 3 423.582 4.329 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1OC(F)F ZINC000480909118 896265015 /nfs/dbraw/zinc/26/50/15/896265015.db2.gz FUUGXFMTZKHQKI-UHFFFAOYSA-N 0 3 408.518 4.386 20 30 HIEDHN COc1ncccc1NC(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000505419387 914084433 /nfs/dbraw/zinc/08/44/33/914084433.db2.gz DVWXSVHGAVPPKC-IGMNZBQBSA-N 0 3 408.527 4.260 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481930361 897314287 /nfs/dbraw/zinc/31/42/87/897314287.db2.gz WONFQNPEKATLOG-VWNXMTODSA-N 0 3 403.526 4.024 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1OCc1ccccc1F ZINC000482575433 898170079 /nfs/dbraw/zinc/17/00/79/898170079.db2.gz GMRKUSWVTVKSHS-QGZVFWFLSA-N 0 3 400.413 4.176 20 30 HIEDHN COc1ccc([C@@H](CCO)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000482631991 898234675 /nfs/dbraw/zinc/23/46/75/898234675.db2.gz GLHMQAICORYXKO-RUZDIDTESA-N 0 3 402.494 4.359 20 30 HIEDHN COc1cc(F)c([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890757 898507767 /nfs/dbraw/zinc/50/77/67/898507767.db2.gz NSZHGEYEELKRNN-GOEBONIOSA-N 0 3 401.457 4.173 20 30 HIEDHN C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000505636356 914335992 /nfs/dbraw/zinc/33/59/92/914335992.db2.gz OZRTXOLAZZTBEU-SBUREZEXSA-N 0 3 400.482 4.167 20 30 HIEDHN CC(C)[C@](C)(NCC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000484328410 899883058 /nfs/dbraw/zinc/88/30/58/899883058.db2.gz ITDYRNCWTDZIFZ-SFHVURJKSA-N 0 3 406.349 4.482 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349980 899899287 /nfs/dbraw/zinc/89/92/87/899899287.db2.gz KUWFACFIQHGUPB-LPHOPBHVSA-N 0 3 401.469 4.074 20 30 HIEDHN CO[C@H](C)c1nc(CN2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000486782740 901851274 /nfs/dbraw/zinc/85/12/74/901851274.db2.gz YPLJSOUVXFHPJJ-GOSISDBHSA-N 0 3 412.603 4.360 20 30 HIEDHN Cc1ccc(-c2ccc(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000486909886 901957147 /nfs/dbraw/zinc/95/71/47/901957147.db2.gz WOIWWEAGGKAGQY-QFIPXVFZSA-N 0 3 401.535 4.486 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000487113423 902062393 /nfs/dbraw/zinc/06/23/93/902062393.db2.gz FKAIJWXBOXFYRW-IBGZPJMESA-N 0 3 422.426 4.074 20 30 HIEDHN CCOc1ccc([C@H](CC)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459973 902835470 /nfs/dbraw/zinc/83/54/70/902835470.db2.gz MAUWZTHIUYASJU-VXKWHMMOSA-N 0 3 421.541 4.197 20 30 HIEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488650800 902920674 /nfs/dbraw/zinc/92/06/74/902920674.db2.gz CFNLLYQQNAFSIW-SFHVURJKSA-N 0 3 420.513 4.068 20 30 HIEDHN C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1 ZINC000489015855 903122585 /nfs/dbraw/zinc/12/25/85/903122585.db2.gz PZQCVCUWNSEZBZ-PKTZIBPZSA-N 0 3 405.542 4.151 20 30 HIEDHN N#Cc1c(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)sc2c1CCC2 ZINC000490060345 903749351 /nfs/dbraw/zinc/74/93/51/903749351.db2.gz WXMMGYIJCIISFR-UHFFFAOYSA-N 0 3 410.499 4.010 20 30 HIEDHN CCN1CCN(c2ccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000490405589 903990758 /nfs/dbraw/zinc/99/07/58/903990758.db2.gz WBPZVSKFZTUJEQ-UHFFFAOYSA-N 0 3 414.557 4.021 20 30 HIEDHN Cc1ccc2[nH]c([C@H]3CCCN([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812745 904910100 /nfs/dbraw/zinc/91/01/00/904910100.db2.gz ZVWKYVNGRBWIFT-CVDCTZTESA-N 0 3 413.525 4.118 20 30 HIEDHN Cc1ccc2nc([C@H]3CCCN([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812745 904910133 /nfs/dbraw/zinc/91/01/33/904910133.db2.gz ZVWKYVNGRBWIFT-CVDCTZTESA-N 0 3 413.525 4.118 20 30 HIEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506272435 914876276 /nfs/dbraw/zinc/87/62/76/914876276.db2.gz LKUMVISUYHUHCR-UHFFFAOYSA-N 0 3 417.532 4.208 20 30 HIEDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512449217 921169063 /nfs/dbraw/zinc/16/90/63/921169063.db2.gz DDFCLHVGORGNRK-OAQYLSRUSA-N 0 3 405.542 4.121 20 30 HIEDHN C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000496226296 906632817 /nfs/dbraw/zinc/63/28/17/906632817.db2.gz YGXWDCFHQNJAFB-GGOOSFECSA-N 0 3 420.557 4.239 20 30 HIEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000512613130 921261058 /nfs/dbraw/zinc/26/10/58/921261058.db2.gz JVWYEVMLECDRPO-UHFFFAOYSA-N 0 3 403.404 4.308 20 30 HIEDHN Cc1nn(-c2ccccc2)c(C)c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512644803 921272257 /nfs/dbraw/zinc/27/22/57/921272257.db2.gz VIJROEXBELJAND-UHFFFAOYSA-N 0 3 413.525 4.212 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000497927689 907394059 /nfs/dbraw/zinc/39/40/59/907394059.db2.gz MIYIFUOYFOBLBY-OAHLLOKOSA-N 0 3 404.584 4.026 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000512841039 921344546 /nfs/dbraw/zinc/34/45/46/921344546.db2.gz PYATTXMQFIDQHO-GOSISDBHSA-N 0 3 422.422 4.163 20 30 HIEDHN COc1ccc(C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000499052241 908423167 /nfs/dbraw/zinc/42/31/67/908423167.db2.gz ILXAGAQWLCOCAS-XMMPIXPASA-N 0 3 415.493 4.088 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056427 908427446 /nfs/dbraw/zinc/42/74/46/908427446.db2.gz PAJZRGNQUYJGIX-SFTDATJTSA-N 0 3 415.459 4.271 20 30 HIEDHN COc1ccc(C[C@H](NCC(=O)Nc2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000499060518 908429154 /nfs/dbraw/zinc/42/91/54/908429154.db2.gz VLAGBIHXPCSZAZ-DEOSSOPVSA-N 0 3 415.493 4.088 20 30 HIEDHN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000499210244 908565553 /nfs/dbraw/zinc/56/55/53/908565553.db2.gz JWHNEWUEZIHYDS-OAHLLOKOSA-N 0 3 408.412 4.322 20 30 HIEDHN N#CC(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 ZINC000512973795 921447752 /nfs/dbraw/zinc/44/77/52/921447752.db2.gz BQWJJHQJPOZVDY-OALUTQOASA-N 0 3 405.479 4.253 20 30 HIEDHN N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000513112459 921559276 /nfs/dbraw/zinc/55/92/76/921559276.db2.gz AFJFFGQWZNHMHR-XMMPIXPASA-N 0 3 411.505 4.142 20 30 HIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000502002793 910970316 /nfs/dbraw/zinc/97/03/16/910970316.db2.gz XSZQJPNXJFPTAK-UHFFFAOYSA-N 0 3 422.344 4.466 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000502152944 911075079 /nfs/dbraw/zinc/07/50/79/911075079.db2.gz CWUFMUJTDNZVDL-OFNKIYASSA-N 0 3 409.578 4.072 20 30 HIEDHN COc1ccc(CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC2CC2)c(OC)c1 ZINC000503207955 912189046 /nfs/dbraw/zinc/18/90/46/912189046.db2.gz UCJMQMBGGMDQAJ-UHFFFAOYSA-N 0 3 416.525 4.388 20 30 HIEDHN Cc1ccc([C@@H](OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317617 914914296 /nfs/dbraw/zinc/91/42/96/914914296.db2.gz YXEGXZXFUXBCEA-UIOOFZCWSA-N 0 3 400.522 4.466 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000506658575 915332039 /nfs/dbraw/zinc/33/20/39/915332039.db2.gz CBOUBLFIOBPZOS-UHFFFAOYSA-N 0 3 421.545 4.170 20 30 HIEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670042 915346164 /nfs/dbraw/zinc/34/61/64/915346164.db2.gz SDMKGONUQRRVMG-UZLBHIALSA-N 0 3 413.493 4.219 20 30 HIEDHN COc1ccccc1O[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000513406266 921775380 /nfs/dbraw/zinc/77/53/80/921775380.db2.gz OUTBHNCUDUUJCK-NRFANRHFSA-N 0 3 402.498 4.011 20 30 HIEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000507222867 915977490 /nfs/dbraw/zinc/97/74/90/915977490.db2.gz XDERNKOAIGWCMO-FQEVSTJZSA-N 0 3 419.550 4.102 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508587740 917359345 /nfs/dbraw/zinc/35/93/45/917359345.db2.gz LUFHFQKGEFPDKU-NRFANRHFSA-N 0 3 417.431 4.350 20 30 HIEDHN C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508959535 917716585 /nfs/dbraw/zinc/71/65/85/917716585.db2.gz GENTYACNIUNKJB-VXKWHMMOSA-N 0 3 423.605 4.268 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509597553 918247766 /nfs/dbraw/zinc/24/77/66/918247766.db2.gz BLFMMCCKRQDBME-MGPUTAFESA-N 0 3 405.468 4.220 20 30 HIEDHN N#CCCn1cc(C(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2ccccc21 ZINC000511782161 920473538 /nfs/dbraw/zinc/47/35/38/920473538.db2.gz XEWBHLKLDQMIJI-PFATUAPWSA-N 0 3 413.521 4.242 20 30 HIEDHN CCN(CC)C(=O)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000512211447 920957484 /nfs/dbraw/zinc/95/74/84/920957484.db2.gz KDGILOABIURLGX-UHFFFAOYSA-N 0 3 405.542 4.218 20 30 HIEDHN C=CCOc1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1OC ZINC000512280107 921035732 /nfs/dbraw/zinc/03/57/32/921035732.db2.gz VCORNZUFKXTPEM-UHFFFAOYSA-N 0 3 406.526 4.061 20 30 HIEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000513536885 921875990 /nfs/dbraw/zinc/87/59/90/921875990.db2.gz QGXNXDMSQAUOJZ-UHFFFAOYSA-N 0 3 411.575 4.335 20 30 HIEDHN COc1ccc(Br)c(CNC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513665604 921988498 /nfs/dbraw/zinc/98/84/98/921988498.db2.gz GEYHYLYWTJDGGF-UHFFFAOYSA-N 0 3 400.320 4.088 20 30 HIEDHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)C(C#N)c3nc4ccccc4n3C)c12 ZINC000513672226 921995603 /nfs/dbraw/zinc/99/56/03/921995603.db2.gz PUECRSPMMKYYBH-GOSISDBHSA-N 0 3 420.476 4.321 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2Cc2ccccc2C)cc1 ZINC000514173832 922511476 /nfs/dbraw/zinc/51/14/76/922511476.db2.gz HRRYNNZUKDCKKA-HSZRJFAPSA-N 0 3 405.542 4.348 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)CC1 ZINC000517310710 924095465 /nfs/dbraw/zinc/09/54/65/924095465.db2.gz VSEBVBRKIQISMG-UHFFFAOYSA-N 0 3 402.498 4.092 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000517324500 924103838 /nfs/dbraw/zinc/10/38/38/924103838.db2.gz RWIGSPPYWBEPHQ-UHFFFAOYSA-N 0 3 423.605 4.471 20 30 HIEDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000517373730 924141319 /nfs/dbraw/zinc/14/13/19/924141319.db2.gz UPPZRNMDDXGJHB-UHFFFAOYSA-N 0 3 403.457 4.481 20 30 HIEDHN C=CCN1CCC(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)CC1 ZINC000517982148 926928178 /nfs/dbraw/zinc/92/81/78/926928178.db2.gz FGENLVGEJFOJOV-UHFFFAOYSA-N 0 3 405.951 4.064 20 30 HIEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849239 927554223 /nfs/dbraw/zinc/55/42/23/927554223.db2.gz VNXRGEGSXQDIBM-FXAWDEMLSA-N 0 3 419.422 4.438 20 30 HIEDHN C=CCN1CCC(NC(=O)NC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000519302659 927871880 /nfs/dbraw/zinc/87/18/80/927871880.db2.gz KLWSKZRZRUBGOF-UHFFFAOYSA-N 0 3 406.368 4.168 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000519511563 928003154 /nfs/dbraw/zinc/00/31/54/928003154.db2.gz KERWVZRQHLCARK-QFIPXVFZSA-N 0 3 408.502 4.130 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cl)c1Cl ZINC000519922601 928156137 /nfs/dbraw/zinc/15/61/37/928156137.db2.gz PZOBMRKDLCRXFM-UHFFFAOYSA-N 0 3 405.329 4.138 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000520109885 928316642 /nfs/dbraw/zinc/31/66/42/928316642.db2.gz UIBBXNLDBDAVSB-UHFFFAOYSA-N 0 3 406.530 4.223 20 30 HIEDHN C/C(=C\c1cccc(C(F)(F)F)c1)CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649142 928699355 /nfs/dbraw/zinc/69/93/55/928699355.db2.gz XVKGVOKOBFSFBE-HZBHDWBUSA-N 0 3 413.443 4.371 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000524668979 929784074 /nfs/dbraw/zinc/78/40/74/929784074.db2.gz HSAJETDHXZWQIX-UHFFFAOYSA-N 0 3 408.384 4.410 20 30 HIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000525244372 930102876 /nfs/dbraw/zinc/10/28/76/930102876.db2.gz PBQLGKVFKBUGCC-MOPGFXCFSA-N 0 3 409.530 4.468 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000526065371 930517840 /nfs/dbraw/zinc/51/78/40/930517840.db2.gz OJNBPMQHZOPEGK-UHFFFAOYSA-N 0 3 406.246 4.240 20 30 HIEDHN N#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530638964 930783196 /nfs/dbraw/zinc/78/31/96/930783196.db2.gz MXBWDFYADRQJAF-IBGZPJMESA-N 0 3 403.404 4.176 20 30 HIEDHN COc1ccc([C@H](NCCOc2ccc(C#N)cc2OC)c2ccc(F)cc2)cc1 ZINC000532702451 931597493 /nfs/dbraw/zinc/59/74/93/931597493.db2.gz JDEYAAZNILNGFQ-XMMPIXPASA-N 0 3 406.457 4.473 20 30 HIEDHN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970896 931720206 /nfs/dbraw/zinc/72/02/06/931720206.db2.gz ACDHSLGBLKLVDJ-HBGVWJBISA-N 0 3 415.603 4.353 20 30 HIEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047263 931752294 /nfs/dbraw/zinc/75/22/94/931752294.db2.gz HPJUHOKUFBYZPF-SFHVURJKSA-N 0 3 422.460 4.014 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C[C@H](C)O)C2CCCCC2)c1C#N ZINC000533424629 931864063 /nfs/dbraw/zinc/86/40/63/931864063.db2.gz CELNTVMMJLPUSK-INIZCTEOSA-N 0 3 400.567 4.046 20 30 HIEDHN N#Cc1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)c(F)c1 ZINC000533449079 931872600 /nfs/dbraw/zinc/87/26/00/931872600.db2.gz GFMUEMRTGVFXGN-UHFFFAOYSA-N 0 3 414.528 4.309 20 30 HIEDHN CCc1ccc([C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 ZINC000533471554 931877563 /nfs/dbraw/zinc/87/75/63/931877563.db2.gz WBAMIZOQLQFYBF-QHCPKHFHSA-N 0 3 401.514 4.232 20 30 HIEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(CCO)C2CCCCC2)c1C#N ZINC000533838626 932052903 /nfs/dbraw/zinc/05/29/03/932052903.db2.gz BYQOZVYMWFOAIK-UHFFFAOYSA-N 0 3 400.567 4.047 20 30 HIEDHN CC[C@H](C)n1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C1CC1 ZINC000534252492 932366071 /nfs/dbraw/zinc/36/60/71/932366071.db2.gz URCWKYXJLFPZDJ-KRWDZBQOSA-N 0 3 408.550 4.199 20 30 HIEDHN N#Cc1cccc(COc2cccc(CN(Cc3ccc(C(N)=O)cc3)C3CC3)c2)c1 ZINC000534340408 932386231 /nfs/dbraw/zinc/38/62/31/932386231.db2.gz BJJLKWIKLCVNLD-UHFFFAOYSA-N 0 3 411.505 4.401 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000534366223 932398168 /nfs/dbraw/zinc/39/81/68/932398168.db2.gz RVUAKNDVUNWYDG-UHFFFAOYSA-N 0 3 418.928 4.478 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000534524853 932545717 /nfs/dbraw/zinc/54/57/17/932545717.db2.gz FJLIXWMNGUFRJX-XMMPIXPASA-N 0 3 413.521 4.040 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@]2(C)CCCc3ccccc32)c1C#N ZINC000537596299 938331184 /nfs/dbraw/zinc/33/11/84/938331184.db2.gz HUWUWOKOIDOTNN-RUZDIDTESA-N 0 3 416.525 4.398 20 30 HIEDHN CC(C)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000538158580 938528297 /nfs/dbraw/zinc/52/82/97/938528297.db2.gz HTTNVQWWXKYJMM-IBGZPJMESA-N 0 3 410.461 4.338 20 30 HIEDHN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000538174220 938536286 /nfs/dbraw/zinc/53/62/86/938536286.db2.gz AWGGSMWSGBCQBG-QFIPXVFZSA-N 0 3 409.505 4.050 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1C#N ZINC000538186804 938542728 /nfs/dbraw/zinc/54/27/28/938542728.db2.gz BSCIRCCZYLLSKQ-YKSBVNFPSA-N 0 3 420.557 4.398 20 30 HIEDHN C=CCN(Cc1ccc(OC(C)C)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731705 938695320 /nfs/dbraw/zinc/69/53/20/938695320.db2.gz HHODLHRUNGWQOX-GOSISDBHSA-N 0 3 407.518 4.207 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000538987038 938760514 /nfs/dbraw/zinc/76/05/14/938760514.db2.gz PGRZQJVVBAFPIH-UHFFFAOYSA-N 0 3 408.333 4.341 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000539334095 938843574 /nfs/dbraw/zinc/84/35/74/938843574.db2.gz MXVVYWRWVVSJBZ-HSZRJFAPSA-N 0 3 417.488 4.343 20 30 HIEDHN C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000539337176 938844401 /nfs/dbraw/zinc/84/44/01/938844401.db2.gz OQQUHTYVLRPULD-QGZVFWFLSA-N 0 3 407.905 4.123 20 30 HIEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490684 938867582 /nfs/dbraw/zinc/86/75/82/938867582.db2.gz HNOKUZGXRRYMEZ-YEJXKQKISA-N 0 3 411.889 4.051 20 30 HIEDHN C=CCOc1c(Br)cc(CN(C)CCc2ncc(C)s2)cc1OC ZINC000539824208 938946431 /nfs/dbraw/zinc/94/64/31/938946431.db2.gz DDFBJDOQHVCOTO-UHFFFAOYSA-N 0 3 411.365 4.462 20 30 HIEDHN C=C(C)COc1cc(CN2CCC(n3cc(Br)cn3)CC2)ccc1OC ZINC000539830716 938951183 /nfs/dbraw/zinc/95/11/83/938951183.db2.gz CJSQJLYSVBGFJZ-UHFFFAOYSA-N 0 3 420.351 4.446 20 30 HIEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000540185829 939111013 /nfs/dbraw/zinc/11/10/13/939111013.db2.gz BNADXAOMMHAILK-OAHLLOKOSA-N 0 3 420.431 4.081 20 30 HIEDHN C[C@H](NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000540596107 939315380 /nfs/dbraw/zinc/31/53/80/939315380.db2.gz NWESBILUEZXMHR-SFHVURJKSA-N 0 3 416.525 4.164 20 30 HIEDHN C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1ccc(C#N)c(F)c1 ZINC000540708210 939344838 /nfs/dbraw/zinc/34/48/38/939344838.db2.gz NPWLBWOMJBVRDG-HNNXBMFYSA-N 0 3 420.454 4.319 20 30 HIEDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026935 939434234 /nfs/dbraw/zinc/43/42/34/939434234.db2.gz JJEPHLQQBRGOHS-ROUUACIJSA-N 0 3 419.504 4.306 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158973 939480805 /nfs/dbraw/zinc/48/08/05/939480805.db2.gz QCIWCNFXGGXOGR-YADARESESA-N 0 3 420.557 4.038 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000541175841 939484382 /nfs/dbraw/zinc/48/43/82/939484382.db2.gz GMZUXLAWSPYHBM-DLBZAZTESA-N 0 3 405.523 4.284 20 30 HIEDHN COCC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543461158 940070870 /nfs/dbraw/zinc/07/08/70/940070870.db2.gz VXRRMGAESSFIKY-KRWDZBQOSA-N 0 3 401.532 4.178 20 30 HIEDHN Cc1nc([C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)no1 ZINC000543769244 940181034 /nfs/dbraw/zinc/18/10/34/940181034.db2.gz CJKQRGMGNPCBDY-QFIPXVFZSA-N 0 3 421.932 4.247 20 30 HIEDHN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549248775 941174110 /nfs/dbraw/zinc/17/41/10/941174110.db2.gz XNKSAADWEDRZHV-GOSISDBHSA-N 0 3 413.541 4.198 20 30 HIEDHN CCN1CC[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549468465 941192972 /nfs/dbraw/zinc/19/29/72/941192972.db2.gz LGRYPXOEFYMLAD-OREJSRFESA-N 0 3 414.912 4.103 20 30 HIEDHN CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000549541982 941198796 /nfs/dbraw/zinc/19/87/96/941198796.db2.gz JIMWLLZMSSEUBJ-HNAYVOBHSA-N 0 3 416.447 4.270 20 30 HIEDHN COc1cc(CN2CCC[C@@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000550063165 941277231 /nfs/dbraw/zinc/27/72/31/941277231.db2.gz IAEKQQYKISEUCP-RUZDIDTESA-N 0 3 408.542 4.376 20 30 HIEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000553409210 941880488 /nfs/dbraw/zinc/88/04/88/941880488.db2.gz OUNHCTLEDKAZTG-HOTGVXAUSA-N 0 3 408.571 4.386 20 30 HIEDHN COc1ccc(-c2nc(C)c([C@H](C)NCc3cnc4ccc(C#N)cn34)s2)cc1 ZINC000556582866 942905873 /nfs/dbraw/zinc/90/58/73/942905873.db2.gz AYOQZVKBTLZLSX-AWEZNQCLSA-N 0 3 403.511 4.497 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1c1cccc3c1OCCO3)CCC2 ZINC000559728749 944038444 /nfs/dbraw/zinc/03/84/44/944038444.db2.gz CKEQTYZCZRKXNH-SFHVURJKSA-N 0 3 423.538 4.045 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C)c4ccccc4C3)sc2C1 ZINC000559976858 944106636 /nfs/dbraw/zinc/10/66/36/944106636.db2.gz QROUKDZRHZJNEP-MRXNPFEDSA-N 0 3 408.571 4.025 20 30 HIEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1OCc1ccccc1 ZINC000561126194 944467777 /nfs/dbraw/zinc/46/77/77/944467777.db2.gz QKNCKHOOTQTXRO-KNQAVFIVSA-N 0 3 402.494 4.228 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564393523 945552924 /nfs/dbraw/zinc/55/29/24/945552924.db2.gz NMXGGKLWEKFWFR-HCLVMJGWSA-N 0 3 408.571 4.054 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000567087313 946237700 /nfs/dbraw/zinc/23/77/00/946237700.db2.gz PRGWEEZOPXCZDR-GHTZIAJQSA-N 0 3 413.587 4.251 20 30 HIEDHN Cc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000570585159 947303824 /nfs/dbraw/zinc/30/38/24/947303824.db2.gz LSWRCQKNTMTARI-YADARESESA-N 0 3 419.550 4.237 20 30 HIEDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664890 947739656 /nfs/dbraw/zinc/73/96/56/947739656.db2.gz PZELIKNSDIZACB-BTYIYWSLSA-N 0 3 409.917 4.222 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986779 947826293 /nfs/dbraw/zinc/82/62/93/947826293.db2.gz QOIJYLWPKQSBNC-REVPJUDFSA-N 0 3 423.532 4.402 20 30 HIEDHN CC(C)N1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574221830 948389950 /nfs/dbraw/zinc/38/99/50/948389950.db2.gz PPQMIIOLDVRZAX-UNMCSNQZSA-N 0 3 414.912 4.103 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc(Cl)n1 ZINC001164629780 719076208 /nfs/dbraw/zinc/07/62/08/719076208.db2.gz YZQKCHIDSALNDA-VQIMIIECSA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164628834 719089833 /nfs/dbraw/zinc/08/98/33/719089833.db2.gz OXGQIWUYJCALLE-LPHOPBHVSA-N 0 3 402.876 4.252 20 30 HIEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000026311339 847122871 /nfs/dbraw/zinc/12/28/71/847122871.db2.gz OHJRFHWCDPGXCQ-GOSISDBHSA-N 0 3 402.560 4.133 20 30 HIEDHN Cc1ccccc1[C@@H](OC[C@@H](O)CN(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000027208188 847266618 /nfs/dbraw/zinc/26/66/18/847266618.db2.gz OLZZEWNCDIWWBL-AHWVRZQESA-N 0 3 400.522 4.466 20 30 HIEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032243079 847993300 /nfs/dbraw/zinc/99/33/00/847993300.db2.gz BJPQEVNHNHIBDM-UHFFFAOYSA-N 0 3 415.493 4.460 20 30 HIEDHN N#CC(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000041553678 848230338 /nfs/dbraw/zinc/23/03/38/848230338.db2.gz DUMSVOPINXJILQ-HNNXBMFYSA-N 0 3 404.779 4.489 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000042996995 848374370 /nfs/dbraw/zinc/37/43/70/848374370.db2.gz ADTHLBYVATTYJA-UHFFFAOYSA-N 0 3 405.329 4.138 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000045154977 848640501 /nfs/dbraw/zinc/64/05/01/848640501.db2.gz MEQHQDHONNEYKK-HSZRJFAPSA-N 0 3 402.498 4.014 20 30 HIEDHN CC(C)Oc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000046065848 848780211 /nfs/dbraw/zinc/78/02/11/848780211.db2.gz KTJDMGHZYKYFKQ-IBGZPJMESA-N 0 3 408.546 4.180 20 30 HIEDHN N#CC(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000047359072 849031401 /nfs/dbraw/zinc/03/14/01/849031401.db2.gz CBSCKMUDTMHQIW-ZDUSSCGKSA-N 0 3 406.243 4.206 20 30 HIEDHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000047359196 849031446 /nfs/dbraw/zinc/03/14/46/849031446.db2.gz IPPBPLYLCCKTIX-QGZVFWFLSA-N 0 3 406.449 4.485 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000053055782 849661149 /nfs/dbraw/zinc/66/11/49/849661149.db2.gz BWGCYYIEBJBYDL-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000065930850 852322230 /nfs/dbraw/zinc/32/22/30/852322230.db2.gz VLUHMUMECVZPNP-UHFFFAOYSA-N 0 3 401.510 4.341 20 30 HIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000065949651 852330556 /nfs/dbraw/zinc/33/05/56/852330556.db2.gz WXGWGGLLRUGGGW-DEOSSOPVSA-N 0 3 421.504 4.256 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000097547290 852626141 /nfs/dbraw/zinc/62/61/41/852626141.db2.gz TURKLNNKUMAGGD-UHFFFAOYSA-N 0 3 424.504 4.426 20 30 HIEDHN COc1ccc(OC)c([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000105422645 852704296 /nfs/dbraw/zinc/70/42/96/852704296.db2.gz CNHGMLISGXPMAX-HXUWFJFHSA-N 0 3 413.905 4.395 20 30 HIEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)C(=O)Nc1ccccc1 ZINC000110989256 853180713 /nfs/dbraw/zinc/18/07/13/853180713.db2.gz OPANPXWABKXKOV-MRXNPFEDSA-N 0 3 424.570 4.176 20 30 HIEDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC(F)F)c1 ZINC000237324059 854006680 /nfs/dbraw/zinc/00/66/80/854006680.db2.gz LRSFUAPRFQWXNF-MRXNPFEDSA-N 0 3 405.420 4.066 20 30 HIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000303280475 854849466 /nfs/dbraw/zinc/84/94/66/854849466.db2.gz IMGSDUMYJVPHIO-INIZCTEOSA-N 0 3 420.270 4.012 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000303377082 854899040 /nfs/dbraw/zinc/89/90/40/854899040.db2.gz LQGSIRBTSNIKSL-IBGZPJMESA-N 0 3 414.619 4.217 20 30 HIEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)o1 ZINC000303670973 855122412 /nfs/dbraw/zinc/12/24/12/855122412.db2.gz YPVLPFJRHZFTMW-UHFFFAOYSA-N 0 3 417.509 4.243 20 30 HIEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN1CCC(C)CC1 ZINC000409505203 855513151 /nfs/dbraw/zinc/51/31/51/855513151.db2.gz VXKFZRILPYBGQE-UHFFFAOYSA-N 0 3 412.347 4.018 20 30 HIEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000427022235 856599124 /nfs/dbraw/zinc/59/91/24/856599124.db2.gz WLFPWJVCVOMIPH-UHFFFAOYSA-N 0 3 400.444 4.294 20 30 HIEDHN CN1CCC[C@@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546142 862877446 /nfs/dbraw/zinc/87/74/46/862877446.db2.gz FOMSQOMVTDUXQI-MAUKXSAKSA-N 0 3 407.461 4.451 20 30 HIEDHN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794957 857343446 /nfs/dbraw/zinc/34/34/46/857343446.db2.gz PCZZAQBTTNQTLX-FDDCHVKYSA-N 0 3 412.493 4.420 20 30 HIEDHN Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OCc1ccccn1 ZINC000430183484 858070584 /nfs/dbraw/zinc/07/05/84/858070584.db2.gz CVEHVJBGKPTPTI-HSZRJFAPSA-N 0 3 414.509 4.197 20 30 HIEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)s1 ZINC000430650694 858248251 /nfs/dbraw/zinc/24/82/51/858248251.db2.gz VEYALXCZPQOPIC-NSHDSACASA-N 0 3 421.316 4.464 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000431142947 858468101 /nfs/dbraw/zinc/46/81/01/858468101.db2.gz HPRBTFIGHQEIIL-UHFFFAOYSA-N 0 3 403.486 4.173 20 30 HIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000431735459 858773775 /nfs/dbraw/zinc/77/37/75/858773775.db2.gz JDKOHBHNXRGEAN-UZUQRXQVSA-N 0 3 408.521 4.094 20 30 HIEDHN CN(Cc1ccccc1Br)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433015603 859479921 /nfs/dbraw/zinc/47/99/21/859479921.db2.gz KYPNYJCAJKPKHD-HXUWFJFHSA-N 0 3 414.347 4.432 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433020730 859482056 /nfs/dbraw/zinc/48/20/56/859482056.db2.gz TYFIXPUCBOIOOR-QHCPKHFHSA-N 0 3 424.976 4.009 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000433025064 859485654 /nfs/dbraw/zinc/48/56/54/859485654.db2.gz HBIHCWRAFQOGDZ-DEOSSOPVSA-N 0 3 405.542 4.219 20 30 HIEDHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433875576 859946920 /nfs/dbraw/zinc/94/69/20/859946920.db2.gz TYODEEVWNYHAKX-GOSISDBHSA-N 0 3 419.550 4.326 20 30 HIEDHN C[C@@H]1CN(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 ZINC000434773060 860489951 /nfs/dbraw/zinc/48/99/51/860489951.db2.gz FINHMLOJJRPTGJ-RTBURBONSA-N 0 3 423.582 4.329 20 30 HIEDHN C=CCOc1ccc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000435379975 860776105 /nfs/dbraw/zinc/77/61/05/860776105.db2.gz OOZRXNROGKKXLH-NRFANRHFSA-N 0 3 402.498 4.147 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)CC1 ZINC000441178488 866255482 /nfs/dbraw/zinc/25/54/82/866255482.db2.gz KFQIHFGKAHPCFE-UHFFFAOYSA-N 0 3 420.395 4.163 20 30 HIEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273489 868710133 /nfs/dbraw/zinc/71/01/33/868710133.db2.gz PWTUMHPRHZAZJT-CVDCTZTESA-N 0 3 400.526 4.195 20 30 HIEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897999 869877232 /nfs/dbraw/zinc/87/72/32/869877232.db2.gz FFPDISBUEZCCGA-GOSISDBHSA-N 0 3 414.303 4.105 20 30 HIEDHN N#Cc1cccc(COc2ccc(N3C(=O)NC(CC(F)(F)F)C3=O)cc2Cl)c1 ZINC000445956533 869923592 /nfs/dbraw/zinc/92/35/92/869923592.db2.gz JISLMZRUOOXRSS-OAHLLOKOSA-N 0 3 423.778 4.168 20 30 HIEDHN C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460384580 873027221 /nfs/dbraw/zinc/02/72/21/873027221.db2.gz XQLLQJDBGZJSLA-UHFFFAOYSA-N 0 3 416.529 4.007 20 30 HIEDHN C=CC[C@H](CC)NC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460764646 873606717 /nfs/dbraw/zinc/60/67/17/873606717.db2.gz AUDMWLYKBQGUJP-KRWDZBQOSA-N 0 3 408.384 4.410 20 30 HIEDHN C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000460937837 873838290 /nfs/dbraw/zinc/83/82/90/873838290.db2.gz RVSKZONSEIHNNG-HXUWFJFHSA-N 0 3 415.626 4.057 20 30 HIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468799076 882865211 /nfs/dbraw/zinc/86/52/11/882865211.db2.gz CNSMGNUSMYPSIT-UHFFFAOYSA-N 0 3 408.889 4.071 20 30 HIEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468835818 882883258 /nfs/dbraw/zinc/88/32/58/882883258.db2.gz GAYHQIDWLXTJEB-FXAWDEMLSA-N 0 3 407.539 4.423 20 30 HIEDHN Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000462246630 875363342 /nfs/dbraw/zinc/36/33/42/875363342.db2.gz LQYRHTGTMWUWCQ-CVDCTZTESA-N 0 3 413.525 4.252 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000468906617 882961422 /nfs/dbraw/zinc/96/14/22/882961422.db2.gz HCOQZGGDQULMOG-IBGZPJMESA-N 0 3 417.340 4.130 20 30 HIEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000468908070 882964941 /nfs/dbraw/zinc/96/49/41/882964941.db2.gz HCOQZGGDQULMOG-LJQANCHMSA-N 0 3 417.340 4.130 20 30 HIEDHN C=CCOc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000462744722 875814222 /nfs/dbraw/zinc/81/42/22/875814222.db2.gz ZWABWSLKHMKUFX-FQEVSTJZSA-N 0 3 402.441 4.138 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463119951 876163536 /nfs/dbraw/zinc/16/35/36/876163536.db2.gz MRQDNZNRNAWRSH-UHFFFAOYSA-N 0 3 416.500 4.327 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(OC(C)(C)C)CC3)sc2C1 ZINC000469043321 883114190 /nfs/dbraw/zinc/11/41/90/883114190.db2.gz RQKJERVRWQQFLW-OAHLLOKOSA-N 0 3 403.592 4.353 20 30 HIEDHN N#CC(C(=O)c1csc(I)c1)c1cc(C(F)(F)F)ccn1 ZINC000464412699 877618679 /nfs/dbraw/zinc/61/86/79/877618679.db2.gz WHPDTYYGQSPBJH-VIFPVBQESA-N 0 3 422.169 4.257 20 30 HIEDHN C=CCc1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000464909461 878225568 /nfs/dbraw/zinc/22/55/68/878225568.db2.gz XZILKQRUWGZQBI-LJQANCHMSA-N 0 3 408.542 4.169 20 30 HIEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000465366025 878806466 /nfs/dbraw/zinc/80/64/66/878806466.db2.gz BNJRDMUGYMVWLV-HXUWFJFHSA-N 0 3 422.573 4.317 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000465858270 879503851 /nfs/dbraw/zinc/50/38/51/879503851.db2.gz IUWFSJXFHRHQMO-JOCHJYFZSA-N 0 3 413.949 4.388 20 30 HIEDHN CCc1ccc([C@H](NCCc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467432644 881230966 /nfs/dbraw/zinc/23/09/66/881230966.db2.gz DHGJDYARHJUVPM-VWLOTQADSA-N 0 3 418.562 4.446 20 30 HIEDHN C[C@@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)CN1Cc1ccccc1 ZINC000469586829 883825216 /nfs/dbraw/zinc/82/52/16/883825216.db2.gz KVVBERZLQWJCAN-CTNGQTDRSA-N 0 3 400.526 4.338 20 30 HIEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000469991723 884205958 /nfs/dbraw/zinc/20/59/58/884205958.db2.gz NOPUXGCVDAWPJO-AWEZNQCLSA-N 0 3 410.326 4.408 20 30 HIEDHN C=CCN(CCc1ccccc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472453616 887307306 /nfs/dbraw/zinc/30/73/06/887307306.db2.gz FMVBDFHELFXMDQ-UHFFFAOYSA-N 0 3 409.496 4.232 20 30 HIEDHN C=CCN(Cc1ccccc1F)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472459202 887316036 /nfs/dbraw/zinc/31/60/36/887316036.db2.gz ZZITXKGUTXAWOU-UHFFFAOYSA-N 0 3 413.459 4.329 20 30 HIEDHN Cc1ccc(C)c(-n2cnc3cc(C(=O)C(C#N)c4nnc5n4CCCCC5)ccc32)c1 ZINC000472511685 887378925 /nfs/dbraw/zinc/37/89/25/887378925.db2.gz AYJHSOQGWIDLHE-IBGZPJMESA-N 0 3 424.508 4.450 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)Nc3cccc(OCCCC#N)c3)c2)CC1 ZINC000473810330 888634944 /nfs/dbraw/zinc/63/49/44/888634944.db2.gz SISISETZMTYTLR-UHFFFAOYSA-N 0 3 407.518 4.155 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000473870110 888731232 /nfs/dbraw/zinc/73/12/32/888731232.db2.gz AZRVOFNLMSMRCN-INIZCTEOSA-N 0 3 408.477 4.278 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474241145 889089435 /nfs/dbraw/zinc/08/94/35/889089435.db2.gz UFIOJJUBCODRKW-TZIWHRDSSA-N 0 3 422.598 4.083 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000476941194 891881859 /nfs/dbraw/zinc/88/18/59/891881859.db2.gz JEHKDNZJOPOUAD-IBGZPJMESA-N 0 3 422.411 4.452 20 30 HIEDHN C=CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000477542976 892581165 /nfs/dbraw/zinc/58/11/65/892581165.db2.gz NYGWTUUQQLBYRG-UHFFFAOYSA-N 0 3 401.938 4.178 20 30 HIEDHN CS(=O)(=O)c1cccc([C@@H](NCCCOc2cccc(C#N)c2)c2ccccc2)c1 ZINC000477623010 892731209 /nfs/dbraw/zinc/73/12/09/892731209.db2.gz ANNKNHVKRFADEI-DEOSSOPVSA-N 0 3 420.534 4.110 20 30 HIEDHN C=C(CNC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000478146082 893316579 /nfs/dbraw/zinc/31/65/79/893316579.db2.gz NGAPRJWVVWDHFS-QHCPKHFHSA-N 0 3 415.541 4.473 20 30 HIEDHN N#Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000480553656 895913655 /nfs/dbraw/zinc/91/36/55/895913655.db2.gz LHZZEHCZGVCFJB-UHFFFAOYSA-N 0 3 419.407 4.232 20 30 HIEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000480864607 896228132 /nfs/dbraw/zinc/22/81/32/896228132.db2.gz IFNMEUKHLCYMQT-UHFFFAOYSA-N 0 3 416.550 4.308 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)N3CCN(C4CCCCC4)CC3)s2)cc1 ZINC000481483708 896867125 /nfs/dbraw/zinc/86/71/25/896867125.db2.gz TVKXXFFPRZAQBP-UHFFFAOYSA-N 0 3 409.559 4.088 20 30 HIEDHN C[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@@H](C)O1 ZINC000481679941 897064480 /nfs/dbraw/zinc/06/44/80/897064480.db2.gz WMHDPHWNIDTPRF-RRQZXNHTSA-N 0 3 417.553 4.365 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000481686719 897071086 /nfs/dbraw/zinc/07/10/86/897071086.db2.gz BQUJFJOIHBYRKX-XMMPIXPASA-N 0 3 421.566 4.349 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(Cl)cccc1OC ZINC000505454861 914124591 /nfs/dbraw/zinc/12/45/91/914124591.db2.gz DLCUOUFOHCUUDS-UHFFFAOYSA-N 0 3 406.983 4.447 20 30 HIEDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)N(C)C)cc1 ZINC000482301209 897798642 /nfs/dbraw/zinc/79/86/42/897798642.db2.gz HGNARDAFEVSYKU-FQEVSTJZSA-N 0 3 411.550 4.326 20 30 HIEDHN COc1ccc([C@H](CCO)NCc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000482631992 898235089 /nfs/dbraw/zinc/23/50/89/898235089.db2.gz GLHMQAICORYXKO-VWLOTQADSA-N 0 3 402.494 4.359 20 30 HIEDHN CCCCCn1nc(C(=O)C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000483196905 898852164 /nfs/dbraw/zinc/85/21/64/898852164.db2.gz KOSWTNITUXEHEX-GOSISDBHSA-N 0 3 411.465 4.020 20 30 HIEDHN Cc1nc2ccc(Br)cn2c1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000483716647 899374192 /nfs/dbraw/zinc/37/41/92/899374192.db2.gz ZZALXRNEXCMNPP-GFCCVEGCSA-N 0 3 403.305 4.475 20 30 HIEDHN CCCOc1ccc(O[C@H]2CCCC[C@H]2NCC(=O)Nc2sccc2C#N)cc1 ZINC000484635597 900084756 /nfs/dbraw/zinc/08/47/56/900084756.db2.gz IULSEQZYOQZCPM-UXHICEINSA-N 0 3 413.543 4.327 20 30 HIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330726 900615706 /nfs/dbraw/zinc/61/57/06/900615706.db2.gz LKTFUJGHSGNYGI-MGPUTAFESA-N 0 3 417.431 4.346 20 30 HIEDHN C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000485491791 900781944 /nfs/dbraw/zinc/78/19/44/900781944.db2.gz OHIRUFAAODTWFW-FQEVSTJZSA-N 0 3 423.582 4.383 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000487740969 902332277 /nfs/dbraw/zinc/33/22/77/902332277.db2.gz PQOBYCOPJJFSKV-BJKOFHAPSA-N 0 3 404.558 4.358 20 30 HIEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000488317231 902763907 /nfs/dbraw/zinc/76/39/07/902763907.db2.gz SKQYFSZHMFCKAM-GOSISDBHSA-N 0 3 420.513 4.068 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)CC1 ZINC000490485104 904038240 /nfs/dbraw/zinc/03/82/40/904038240.db2.gz QWHXFAMXMPRQCQ-UHFFFAOYSA-N 0 3 420.985 4.373 20 30 HIEDHN COc1ccc([C@@H](NCCC(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515635 904863027 /nfs/dbraw/zinc/86/30/27/904863027.db2.gz OZIIPPGUSVCRSL-NRFANRHFSA-N 0 3 419.447 4.155 20 30 HIEDHN Cc1ccc2[nH]c([C@H]3CCCN([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812748 904909626 /nfs/dbraw/zinc/90/96/26/904909626.db2.gz ZVWKYVNGRBWIFT-WMZHIEFXSA-N 0 3 413.525 4.118 20 30 HIEDHN Cc1ccc2nc([C@H]3CCCN([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812748 904909663 /nfs/dbraw/zinc/90/96/63/904909663.db2.gz ZVWKYVNGRBWIFT-WMZHIEFXSA-N 0 3 413.525 4.118 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000506245659 914861841 /nfs/dbraw/zinc/86/18/41/914861841.db2.gz KEDVOJVOXNEQLP-UHFFFAOYSA-N 0 3 403.448 4.207 20 30 HIEDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512449216 921168873 /nfs/dbraw/zinc/16/88/73/921168873.db2.gz DDFCLHVGORGNRK-NRFANRHFSA-N 0 3 405.542 4.121 20 30 HIEDHN CS[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@H]1N(C)C ZINC000495566862 906506241 /nfs/dbraw/zinc/50/62/41/906506241.db2.gz ZWKOUIVQDZMCFP-XLIONFOSSA-N 0 3 415.946 4.122 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COc3cccc4ccccc43)CC2)c(F)c1 ZINC000512812600 921317503 /nfs/dbraw/zinc/31/75/03/921317503.db2.gz WKBIOHKNJVUZMK-FQEVSTJZSA-N 0 3 420.484 4.134 20 30 HIEDHN COc1cc(CN2CC[C@@H](COC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000512824734 921327840 /nfs/dbraw/zinc/32/78/40/921327840.db2.gz WVHSTTRYMVBLFB-LJQANCHMSA-N 0 3 402.441 4.207 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000512828837 921332784 /nfs/dbraw/zinc/33/27/84/921332784.db2.gz RKLHHGAMOBTOCT-QGZVFWFLSA-N 0 3 422.422 4.163 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000498376874 907866725 /nfs/dbraw/zinc/86/67/25/907866725.db2.gz VUVDENLYFLBJTD-UHFFFAOYSA-N 0 3 408.502 4.025 20 30 HIEDHN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000498381384 907869953 /nfs/dbraw/zinc/86/99/53/907869953.db2.gz BBPDPJVMXCKXPV-MRXNPFEDSA-N 0 3 401.963 4.283 20 30 HIEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000512951348 921435013 /nfs/dbraw/zinc/43/50/13/921435013.db2.gz OXBFLKIWBMAWJI-OAHLLOKOSA-N 0 3 411.870 4.496 20 30 HIEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670039 915344877 /nfs/dbraw/zinc/34/48/77/915344877.db2.gz SDMKGONUQRRVMG-JXFKEZNVSA-N 0 3 413.493 4.219 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000507848626 916666255 /nfs/dbraw/zinc/66/62/55/916666255.db2.gz PNHXXVKXNMGLAW-KRWDZBQOSA-N 0 3 421.324 4.148 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508563401 917338708 /nfs/dbraw/zinc/33/87/08/917338708.db2.gz KHLYARUEQPLEOZ-QFIPXVFZSA-N 0 3 409.480 4.230 20 30 HIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CNC(C)(C)c2ccccc2)c1C#N ZINC000508677989 917441898 /nfs/dbraw/zinc/44/18/98/917441898.db2.gz PCBHTEWUFOCIQL-UHFFFAOYSA-N 0 3 400.526 4.488 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000508933106 917692017 /nfs/dbraw/zinc/69/20/17/917692017.db2.gz KGCIYQMIGBLBFT-UHFFFAOYSA-N 0 3 420.340 4.224 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)[C@@H](C)c2ccccn2)c1C#N ZINC000509084954 917828233 /nfs/dbraw/zinc/82/82/33/917828233.db2.gz QAAVDZUIVVGAGX-SFHVURJKSA-N 0 3 405.502 4.035 20 30 HIEDHN N#CCCCOc1cccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000509749037 918367714 /nfs/dbraw/zinc/36/77/14/918367714.db2.gz FUGGRRREWHGYAT-UHFFFAOYSA-N 0 3 410.493 4.294 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CCC2)CC1 ZINC000511430190 920041947 /nfs/dbraw/zinc/04/19/47/920041947.db2.gz USQGLHWWRMYOJR-UHFFFAOYSA-N 0 3 415.578 4.056 20 30 HIEDHN CN(C(=O)c1cccs1)c1ccccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000513659947 921982795 /nfs/dbraw/zinc/98/27/95/921982795.db2.gz IGMSKVCASIHHNN-MRXNPFEDSA-N 0 3 414.490 4.401 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000513863984 922192318 /nfs/dbraw/zinc/19/23/18/922192318.db2.gz OTODJBKFCFWIEZ-UHFFFAOYSA-N 0 3 406.530 4.129 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540115 924253522 /nfs/dbraw/zinc/25/35/22/924253522.db2.gz NTLQHGQJWGWPPC-DYESRHJHSA-N 0 3 415.459 4.192 20 30 HIEDHN C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)N(C)Cc1ccccc1 ZINC000517657494 926765175 /nfs/dbraw/zinc/76/51/75/926765175.db2.gz ZGGKQEFKTQMLKG-FQEVSTJZSA-N 0 3 413.521 4.388 20 30 HIEDHN CC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)N1CCc2ccccc2C1 ZINC000517781118 926833643 /nfs/dbraw/zinc/83/36/43/926833643.db2.gz HVCLYHTVWCUSEG-XMMPIXPASA-N 0 3 404.558 4.315 20 30 HIEDHN CCc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N(C)C)cc1 ZINC000518389937 927237085 /nfs/dbraw/zinc/23/70/85/927237085.db2.gz IXNVXEVRXLOAIT-HSZRJFAPSA-N 0 3 414.509 4.341 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000518580148 927360137 /nfs/dbraw/zinc/36/01/37/927360137.db2.gz JLLWAHZDXMVHKQ-UHFFFAOYSA-N 0 3 406.246 4.240 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)CC1 ZINC000519275456 927859895 /nfs/dbraw/zinc/85/98/95/927859895.db2.gz PDPYNGKTCVLGPL-UHFFFAOYSA-N 0 3 419.525 4.404 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)CC1 ZINC000519300560 927870975 /nfs/dbraw/zinc/87/09/75/927870975.db2.gz RIGUXOIHVWWHON-UHFFFAOYSA-N 0 3 410.562 4.346 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)CC1 ZINC000520691353 928738749 /nfs/dbraw/zinc/73/87/49/928738749.db2.gz JYFJGJVYXGGAQV-UHFFFAOYSA-N 0 3 423.586 4.429 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000521075437 928975268 /nfs/dbraw/zinc/97/52/68/928975268.db2.gz OIDUPVITHLXOAL-JOCHJYFZSA-N 0 3 410.518 4.158 20 30 HIEDHN COc1ccc(Br)cc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521862282 929512861 /nfs/dbraw/zinc/51/28/61/929512861.db2.gz YWDVGLHBQRATNZ-QGZVFWFLSA-N 0 3 418.310 4.227 20 30 HIEDHN C[C@H](OC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666529 929781639 /nfs/dbraw/zinc/78/16/39/929781639.db2.gz CAVKGYRACXAXTE-UWJYYQICSA-N 0 3 414.933 4.194 20 30 HIEDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000531019327 930886971 /nfs/dbraw/zinc/88/69/71/930886971.db2.gz VGUYRJNULIEDHI-UHFFFAOYSA-N 0 3 410.517 4.295 20 30 HIEDHN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C#N)cc1 ZINC000531695242 931158019 /nfs/dbraw/zinc/15/80/19/931158019.db2.gz BWLGEGUMDZPUHR-IRXDYDNUSA-N 0 3 409.511 4.042 20 30 HIEDHN Cn1c(CNCCSCc2ccccc2C#N)nc2cc(C(F)(F)F)ccc21 ZINC000531857394 931222523 /nfs/dbraw/zinc/22/25/23/931222523.db2.gz INEVEQXLYMOCPV-UHFFFAOYSA-N 0 3 404.461 4.487 20 30 HIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000532661658 931572015 /nfs/dbraw/zinc/57/20/15/931572015.db2.gz NHCBEEYMKRTJOY-CQSZACIVSA-N 0 3 413.319 4.127 20 30 HIEDHN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970891 931720146 /nfs/dbraw/zinc/72/01/46/931720146.db2.gz ACDHSLGBLKLVDJ-DQLDELGASA-N 0 3 415.603 4.353 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000533110886 931773201 /nfs/dbraw/zinc/77/32/01/931773201.db2.gz CXAUAIUZBNFZQV-UHFFFAOYSA-N 0 3 407.905 4.356 20 30 HIEDHN CC(C)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000533224281 931814139 /nfs/dbraw/zinc/81/41/39/931814139.db2.gz KIJBSQTVRQBGJM-NRFANRHFSA-N 0 3 407.905 4.323 20 30 HIEDHN CCC(CC)N(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000533403828 931859554 /nfs/dbraw/zinc/85/95/54/931859554.db2.gz BBXIAEHEHZDPFH-LJQANCHMSA-N 0 3 412.578 4.009 20 30 HIEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000533424630 931864092 /nfs/dbraw/zinc/86/40/92/931864092.db2.gz CELNTVMMJLPUSK-MRXNPFEDSA-N 0 3 400.567 4.046 20 30 HIEDHN CN(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1ccccc1 ZINC000533812667 932043208 /nfs/dbraw/zinc/04/32/08/932043208.db2.gz KSHSUZHYKSFVHR-HSZRJFAPSA-N 0 3 413.521 4.448 20 30 HIEDHN N#CC(C(=O)c1ccc(OCC(F)(F)F)cn1)c1nc2ccccc2n1C(F)F ZINC000562494562 945090875 /nfs/dbraw/zinc/09/08/75/945090875.db2.gz TZHHVJNVAKYBGK-NSHDSACASA-N 0 3 410.302 4.258 20 30 HIEDHN C=CCN1CCC(NC(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000538126400 938512404 /nfs/dbraw/zinc/51/24/04/938512404.db2.gz SRHBJKOONUFJKO-UHFFFAOYSA-N 0 3 402.391 4.176 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000538191354 938546693 /nfs/dbraw/zinc/54/66/93/938546693.db2.gz SPBNQOXIUUBZJJ-HFJQGTKSSA-N 0 3 409.555 4.387 20 30 HIEDHN N#CCCN(C(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231482 938566040 /nfs/dbraw/zinc/56/60/40/938566040.db2.gz PIUDJFZPUMQTGQ-PGRDOPGGSA-N 0 3 411.933 4.344 20 30 HIEDHN C=CCC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000538228941 938566478 /nfs/dbraw/zinc/56/64/78/938566478.db2.gz BVJUUGDPDYHOPK-FQEVSTJZSA-N 0 3 401.432 4.490 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000538323710 938592667 /nfs/dbraw/zinc/59/26/67/938592667.db2.gz SLAKANMQJCBRTM-GOSISDBHSA-N 0 3 412.843 4.055 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC1 ZINC000538976753 938757046 /nfs/dbraw/zinc/75/70/46/938757046.db2.gz YAGVSNPGFBDGMR-UHFFFAOYSA-N 0 3 416.616 4.288 20 30 HIEDHN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(-n2cccn2)c1 ZINC000539287988 938833933 /nfs/dbraw/zinc/83/39/33/938833933.db2.gz GDATTWGWTWKQIN-MRXNPFEDSA-N 0 3 419.554 4.364 20 30 HIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000539293747 938835340 /nfs/dbraw/zinc/83/53/40/938835340.db2.gz XEFIJLZRMTVRKT-FHJLPGHOSA-N 0 3 409.555 4.244 20 30 HIEDHN COc1ccc([C@H](CO)N(C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539827657 938948525 /nfs/dbraw/zinc/94/85/25/938948525.db2.gz PEJHMYRWFKSIJK-VWLOTQADSA-N 0 3 402.494 4.311 20 30 HIEDHN Cc1c([C@@H](C)NC2CCC(Oc3ccccc3C#N)CC2)nnn1-c1ccccc1 ZINC000540179885 939107744 /nfs/dbraw/zinc/10/77/44/939107744.db2.gz JBRJZGUIKMFDGA-FEPNQTLGSA-N 0 3 401.514 4.488 20 30 HIEDHN C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540353717 939205284 /nfs/dbraw/zinc/20/52/84/939205284.db2.gz FEQGDUIIGHKHOU-FJJGWFQOSA-N 0 3 410.562 4.005 20 30 HIEDHN Cc1ccccc1[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C ZINC000540459871 939261086 /nfs/dbraw/zinc/26/10/86/939261086.db2.gz SOGGJUMHVXWDND-QFIPXVFZSA-N 0 3 401.514 4.368 20 30 HIEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541699098 939607927 /nfs/dbraw/zinc/60/79/27/939607927.db2.gz LKRQNCAALQXFJA-VGOFRKELSA-N 0 3 414.509 4.059 20 30 HIEDHN Cc1cc(N2CCSCC2)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000543760176 940177152 /nfs/dbraw/zinc/17/71/52/940177152.db2.gz MLUAIERQACOZAY-UHFFFAOYSA-N 0 3 406.599 4.496 20 30 HIEDHN Cc1ccnc(OC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1 ZINC000543894935 940230295 /nfs/dbraw/zinc/23/02/95/940230295.db2.gz AOEOHCYATMZTBK-UHFFFAOYSA-N 0 3 424.570 4.074 20 30 HIEDHN Cc1nc(SCC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c(C#N)c(C)c1C ZINC000549615530 941201452 /nfs/dbraw/zinc/20/14/52/941201452.db2.gz DURJEKBGNHSYFF-LJQANCHMSA-N 0 3 416.978 4.043 20 30 HIEDHN COc1ccc(Cl)cc1NC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000552202740 941601890 /nfs/dbraw/zinc/60/18/90/941601890.db2.gz JAPFTPWDDBRAMV-UHFFFAOYSA-N 0 3 413.905 4.092 20 30 HIEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276723 941620469 /nfs/dbraw/zinc/62/04/69/941620469.db2.gz HWJMLUOMLGLCFV-PMACEKPBSA-N 0 3 417.431 4.299 20 30 HIEDHN N#Cc1ccc(CC(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000553174330 941844892 /nfs/dbraw/zinc/84/48/92/941844892.db2.gz QAFVYOIUWPIFOX-SANMLTNESA-N 0 3 424.548 4.189 20 30 HIEDHN N#CCC[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386037 941877580 /nfs/dbraw/zinc/87/75/80/941877580.db2.gz NEDAQLRKXRQZJO-WMZOPIPTSA-N 0 3 423.738 4.477 20 30 HIEDHN N#Cc1ccc2ncc(CN[C@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)n2c1 ZINC000556607745 942913057 /nfs/dbraw/zinc/91/30/57/942913057.db2.gz AXICRJAGFYUCEH-NRFANRHFSA-N 0 3 414.431 4.482 20 30 HIEDHN N#CCCCn1cc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c2ccccc21 ZINC000556833251 942937746 /nfs/dbraw/zinc/93/77/46/942937746.db2.gz VDYBWSITYFIWSG-UHFFFAOYSA-N 0 3 423.520 4.456 20 30 HIEDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000560246566 944206006 /nfs/dbraw/zinc/20/60/06/944206006.db2.gz STYQRKLFHOLQBS-XMMPIXPASA-N 0 3 415.493 4.392 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000561537919 944663365 /nfs/dbraw/zinc/66/33/65/944663365.db2.gz GQLPCTLXEDTGPR-LJQANCHMSA-N 0 3 411.468 4.376 20 30 HIEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615924 945855464 /nfs/dbraw/zinc/85/54/64/945855464.db2.gz ZXOHDZGDWLVJQO-UZUQRXQVSA-N 0 3 411.571 4.317 20 30 HIEDHN N#Cc1ccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000567088032 946239787 /nfs/dbraw/zinc/23/97/87/946239787.db2.gz SOENQEQSSIVOAP-HNNXBMFYSA-N 0 3 418.337 4.125 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000570731117 947338264 /nfs/dbraw/zinc/33/82/64/947338264.db2.gz FZCLEAUUWDVPIS-VWLOTQADSA-N 0 3 417.553 4.234 20 30 HIEDHN N#Cc1cc(Oc2ccc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc2)ccn1 ZINC000570978164 947408923 /nfs/dbraw/zinc/40/89/23/947408923.db2.gz PAQOCSUBXMPTNR-UHFFFAOYSA-N 0 3 419.529 4.475 20 30 HIEDHN C=CCOc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1OC ZINC000571841488 947801881 /nfs/dbraw/zinc/80/18/81/947801881.db2.gz JUOZDAYYATVJKV-INIZCTEOSA-N 0 3 409.452 4.392 20 30 HIEDHN C=CCOc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc1OC ZINC000573689559 948272919 /nfs/dbraw/zinc/27/29/19/948272919.db2.gz MPACQPPZJPUWQZ-LJQANCHMSA-N 0 3 400.544 4.015 20 30 HIEDHN CN(CCCN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)Cc1ccncc1 ZINC000573987878 948341648 /nfs/dbraw/zinc/34/16/48/948341648.db2.gz IDTSWAKZSLEEQI-UHFFFAOYSA-N 0 3 414.509 4.340 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCc3ccccc3C2)c1C#N ZINC000012485903 845875247 /nfs/dbraw/zinc/87/52/47/845875247.db2.gz ZWOULOOALBQLSL-UHFFFAOYSA-N 0 3 402.498 4.005 20 30 HIEDHN CCCNc1nnc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)s1 ZINC000026111654 847087660 /nfs/dbraw/zinc/08/76/60/847087660.db2.gz DHVWSYUHPZULAP-ZDUSSCGKSA-N 0 3 415.569 4.452 20 30 HIEDHN CCn1c(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)nnc1C1CC1 ZINC000026111176 847087928 /nfs/dbraw/zinc/08/79/28/847087928.db2.gz ZZPPWMHKXGAMHE-HNNXBMFYSA-N 0 3 409.540 4.267 20 30 HIEDHN COc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453579 847151874 /nfs/dbraw/zinc/15/18/74/847151874.db2.gz HUZMYDPJHURFHV-UHFFFAOYSA-N 0 3 423.847 4.282 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000032483478 848037407 /nfs/dbraw/zinc/03/74/07/848037407.db2.gz LSTKOPYGQBUELX-DEOSSOPVSA-N 0 3 413.521 4.040 20 30 HIEDHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000041494930 848221327 /nfs/dbraw/zinc/22/13/27/848221327.db2.gz IAQZYTGADRQFRL-QGZVFWFLSA-N 0 3 406.449 4.310 20 30 HIEDHN Cc1ccc(-c2cnc(CCC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000047011399 848972386 /nfs/dbraw/zinc/97/23/86/848972386.db2.gz ZPLCJNJFDBZFGA-UHFFFAOYSA-N 0 3 416.525 4.045 20 30 HIEDHN N#CC(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000047359074 849031728 /nfs/dbraw/zinc/03/17/28/849031728.db2.gz CBSCKMUDTMHQIW-CYBMUJFWSA-N 0 3 406.243 4.206 20 30 HIEDHN N#CC(C(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813523 849269928 /nfs/dbraw/zinc/26/99/28/849269928.db2.gz UNYNOKFDSMIAGD-HNNXBMFYSA-N 0 3 406.243 4.001 20 30 HIEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207124 850284112 /nfs/dbraw/zinc/28/41/12/850284112.db2.gz LCXQNXHTLQXUPJ-ZWKOTPCHSA-N 0 3 409.505 4.318 20 30 HIEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000058451736 850828862 /nfs/dbraw/zinc/82/88/62/850828862.db2.gz LJNIKEJTDKJGGX-UHFFFAOYSA-N 0 3 415.335 4.225 20 30 HIEDHN CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000061140154 851303265 /nfs/dbraw/zinc/30/32/65/851303265.db2.gz KSXLNZAWKDPJLR-HXUWFJFHSA-N 0 3 404.558 4.312 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000063250295 851640375 /nfs/dbraw/zinc/64/03/75/851640375.db2.gz ZZZVXZPEAZAOEW-HXUWFJFHSA-N 0 3 411.477 4.161 20 30 HIEDHN Cc1c([C@@H](C)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 ZINC000437073416 862270183 /nfs/dbraw/zinc/27/01/83/862270183.db2.gz GOZGYAJCDIVOEP-BSFYPJFYSA-N 0 3 420.492 4.022 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000063402357 851679120 /nfs/dbraw/zinc/67/91/20/851679120.db2.gz FFTFKGBCFOJMCB-UHFFFAOYSA-N 0 3 402.542 4.093 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000063401875 851679226 /nfs/dbraw/zinc/67/92/26/851679226.db2.gz MVBCSXXAGPKCNW-DEOSSOPVSA-N 0 3 402.542 4.093 20 30 HIEDHN C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)cc1F ZINC000437102426 862290502 /nfs/dbraw/zinc/29/05/02/862290502.db2.gz YBAAFGLNVJKGJN-JQRITLKVSA-N 0 3 419.298 4.291 20 30 HIEDHN COc1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1OCCCC#N ZINC000064614138 851940607 /nfs/dbraw/zinc/94/06/07/851940607.db2.gz RBMHNKZHEAHGFK-UHFFFAOYSA-N 0 3 411.571 4.221 20 30 HIEDHN C=CCc1cc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc(OC)c1OC ZINC000065388836 852120153 /nfs/dbraw/zinc/12/01/53/852120153.db2.gz LWUNMNRNQFHULC-JOCHJYFZSA-N 0 3 423.557 4.069 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1cccc2ccccc21 ZINC000065930485 852320273 /nfs/dbraw/zinc/32/02/73/852320273.db2.gz HMTXOZOIIWGHDP-UHFFFAOYSA-N 0 3 415.537 4.461 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN(Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000105422287 852704745 /nfs/dbraw/zinc/70/47/45/852704745.db2.gz QPODUWGBBWGMBI-QGZVFWFLSA-N 0 3 403.935 4.283 20 30 HIEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110198527 853071514 /nfs/dbraw/zinc/07/15/14/853071514.db2.gz UCUPKTZQEQITED-VWLOTQADSA-N 0 3 419.569 4.129 20 30 HIEDHN N#CC(C(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1ccccn1 ZINC000138921872 853399501 /nfs/dbraw/zinc/39/95/01/853399501.db2.gz JIECIULBKZFONE-INIZCTEOSA-N 0 3 414.490 4.422 20 30 HIEDHN CC(C)n1ncc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc21 ZINC000195738086 853786823 /nfs/dbraw/zinc/78/68/23/853786823.db2.gz PVMYDJDQRPLBQO-UHFFFAOYSA-N 0 3 404.518 4.085 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000209686749 853811131 /nfs/dbraw/zinc/81/11/31/853811131.db2.gz JUAKWKAXMZODJE-YPKPFQOOSA-N 0 3 417.553 4.483 20 30 HIEDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000216002815 853842299 /nfs/dbraw/zinc/84/22/99/853842299.db2.gz QMRDAVSCLYUYAT-CQSZACIVSA-N 0 3 413.543 4.195 20 30 HIEDHN C=CCOc1ccccc1CNCCC(=O)Nc1cc(Br)ccc1C ZINC000237789849 854098304 /nfs/dbraw/zinc/09/83/04/854098304.db2.gz VKWMTSNDUBHBLH-UHFFFAOYSA-N 0 3 403.320 4.441 20 30 HIEDHN N#Cc1cccc(COc2cccc(CNCCCS(=O)(=O)c3ccccc3)c2)c1 ZINC000238015828 854133781 /nfs/dbraw/zinc/13/37/81/854133781.db2.gz UEAVFIICTVWUEU-UHFFFAOYSA-N 0 3 420.534 4.091 20 30 HIEDHN CN1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693238 854446182 /nfs/dbraw/zinc/44/61/82/854446182.db2.gz ZNQSMSZOMDKFSL-NVXWUHKLSA-N 0 3 419.407 4.375 20 30 HIEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 ZINC000303301556 854860846 /nfs/dbraw/zinc/86/08/46/854860846.db2.gz QAFCITXAUOCVLQ-UHFFFAOYSA-N 0 3 412.965 4.175 20 30 HIEDHN C=CCN1CCC(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)CC1 ZINC000303341117 854882497 /nfs/dbraw/zinc/88/24/97/854882497.db2.gz YXWAMENOXICDNL-UHFFFAOYSA-N 0 3 402.498 4.092 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000303381422 854901784 /nfs/dbraw/zinc/90/17/84/854901784.db2.gz XNVRWALLHRSUMC-HSZRJFAPSA-N 0 3 411.521 4.263 20 30 HIEDHN CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303441273 854940445 /nfs/dbraw/zinc/94/04/45/854940445.db2.gz HULNOFPTBRESOC-QHCPKHFHSA-N 0 3 405.542 4.035 20 30 HIEDHN CN1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546143 862878237 /nfs/dbraw/zinc/87/82/37/862878237.db2.gz FOMSQOMVTDUXQI-QAPCUYQASA-N 0 3 407.461 4.451 20 30 HIEDHN N#Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3ccccc3-c3ccccc3)C2)nc1 ZINC000428802789 857350224 /nfs/dbraw/zinc/35/02/24/857350224.db2.gz JWFRFMVYCRTYKO-OAQYLSRUSA-N 0 3 412.493 4.102 20 30 HIEDHN CC(C)(NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000429264991 857581910 /nfs/dbraw/zinc/58/19/10/857581910.db2.gz DTUSRJJEKARNJX-UHFFFAOYSA-N 0 3 412.515 4.260 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000429736665 857859655 /nfs/dbraw/zinc/85/96/55/857859655.db2.gz JLEPGVVXJMYXNX-UHFFFAOYSA-N 0 3 422.360 4.400 20 30 HIEDHN COc1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c(OC)cc1Cl ZINC000433015917 859479441 /nfs/dbraw/zinc/47/94/41/859479441.db2.gz ZGLJJEUOVYLXOO-QGZVFWFLSA-N 0 3 401.894 4.320 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(Br)cn3C)n2)cc1 ZINC000434623264 860436466 /nfs/dbraw/zinc/43/64/66/860436466.db2.gz KIJCNHCTCPIQRA-CQSZACIVSA-N 0 3 416.300 4.410 20 30 HIEDHN C[C@@H]1CN(CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000434773055 860490030 /nfs/dbraw/zinc/49/00/30/860490030.db2.gz FINHMLOJJRPTGJ-KDURUIRLSA-N 0 3 423.582 4.329 20 30 HIEDHN FC(F)C(F)(F)COCCNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000434787691 860494913 /nfs/dbraw/zinc/49/49/13/860494913.db2.gz UTVMZSPMCGZMNU-UHFFFAOYSA-N 0 3 412.143 4.475 20 30 HIEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000434886868 860536944 /nfs/dbraw/zinc/53/69/44/860536944.db2.gz NIWGTTZXNMFFRD-AWEZNQCLSA-N 0 3 408.449 4.242 20 30 HIEDHN CC(C)N(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000435124054 860651711 /nfs/dbraw/zinc/65/17/11/860651711.db2.gz LHLHXNPGOAUMAB-UHFFFAOYSA-N 0 3 404.474 4.178 20 30 HIEDHN N#CCCn1cc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000435126239 860652706 /nfs/dbraw/zinc/65/27/06/860652706.db2.gz KRJKJXZZNCTNKC-NRFANRHFSA-N 0 3 407.905 4.165 20 30 HIEDHN N#CCCCn1cc(C(=O)NCCCN2CCc3ccccc3C2)c2ccccc21 ZINC000435578002 860895042 /nfs/dbraw/zinc/89/50/42/860895042.db2.gz WBHOCCPSKDKTIU-UHFFFAOYSA-N 0 3 400.526 4.123 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000438363437 863827001 /nfs/dbraw/zinc/82/70/01/863827001.db2.gz HJWVXYVJJBOXFI-LOSJGSFVSA-N 0 3 412.537 4.341 20 30 HIEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000438538075 863964655 /nfs/dbraw/zinc/96/46/55/863964655.db2.gz DLHDINQRHYRZLC-UHFFFAOYSA-N 0 3 406.511 4.011 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 ZINC000468064604 881882846 /nfs/dbraw/zinc/88/28/46/881882846.db2.gz KQWQLWIGIQYDLW-IBGZPJMESA-N 0 3 424.614 4.255 20 30 HIEDHN Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000441623336 866724162 /nfs/dbraw/zinc/72/41/62/866724162.db2.gz UCPDVUUZZBVAJK-AOMIVXANSA-N 0 3 420.561 4.090 20 30 HIEDHN COc1cc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1C#N ZINC000442800998 867679867 /nfs/dbraw/zinc/67/98/67/867679867.db2.gz LLQPMLPFJWQUJD-MRXNPFEDSA-N 0 3 415.419 4.008 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)c(C)c3)n2)cc1 ZINC000442857562 867701346 /nfs/dbraw/zinc/70/13/46/867701346.db2.gz GGUPRQATLLRBAY-SFHVURJKSA-N 0 3 415.478 4.198 20 30 HIEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000442980596 867776632 /nfs/dbraw/zinc/77/66/32/867776632.db2.gz RQEMAGVDDXPOOE-HXUWFJFHSA-N 0 3 409.368 4.011 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc(OC)c1 ZINC000468240145 882138357 /nfs/dbraw/zinc/13/83/57/882138357.db2.gz DRLJSJKJQPBERH-QFIPXVFZSA-N 0 3 418.497 4.035 20 30 HIEDHN N#Cc1ccccc1NC(=O)CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000443660234 868265456 /nfs/dbraw/zinc/26/54/56/868265456.db2.gz QJRJXUMGCGVHHY-UHFFFAOYSA-N 0 3 422.532 4.274 20 30 HIEDHN N#Cc1cccc(COc2ccc(N3C(=O)NC(CC(F)(F)F)C3=O)cc2Cl)c1 ZINC000445956532 869923353 /nfs/dbraw/zinc/92/33/53/869923353.db2.gz JISLMZRUOOXRSS-HNNXBMFYSA-N 0 3 423.778 4.168 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC1 ZINC000461114921 874039600 /nfs/dbraw/zinc/03/96/00/874039600.db2.gz UOBALQGBRDKLLL-UHFFFAOYSA-N 0 3 416.516 4.354 20 30 HIEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cccs1 ZINC000461504766 874580594 /nfs/dbraw/zinc/58/05/94/874580594.db2.gz AWBTYIJCCWYPOW-UHFFFAOYSA-N 0 3 420.586 4.095 20 30 HIEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462237500 875350972 /nfs/dbraw/zinc/35/09/72/875350972.db2.gz LODOMZQGYXRXRR-XXBNENTESA-N 0 3 413.525 4.252 20 30 HIEDHN CCCN1CCN(c2ccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000462319221 875439367 /nfs/dbraw/zinc/43/93/67/875439367.db2.gz ZPVNBAGWTRJZRQ-LJQANCHMSA-N 0 3 420.557 4.231 20 30 HIEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000463189244 876247207 /nfs/dbraw/zinc/24/72/07/876247207.db2.gz KORFPUSSDCKOBH-MRXNPFEDSA-N 0 3 405.477 4.063 20 30 HIEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203727 876263667 /nfs/dbraw/zinc/26/36/67/876263667.db2.gz QKFYPERLRLLBCP-MNAPGUCWSA-N 0 3 417.981 4.238 20 30 HIEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000463585073 876687427 /nfs/dbraw/zinc/68/74/27/876687427.db2.gz BCUXTHALRAPLKF-MRXNPFEDSA-N 0 3 414.347 4.015 20 30 HIEDHN N#CC(C(=O)c1ccccc1COC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000464467177 877688468 /nfs/dbraw/zinc/68/84/68/877688468.db2.gz KAFXSOWNNDGXDB-SFHVURJKSA-N 0 3 404.388 4.286 20 30 HIEDHN C=CCc1cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000464909460 878225101 /nfs/dbraw/zinc/22/51/01/878225101.db2.gz XZILKQRUWGZQBI-IBGZPJMESA-N 0 3 408.542 4.169 20 30 HIEDHN CC1CCN([C@H](CNC(=O)NCc2cc(C#N)ccc2F)c2cccs2)CC1 ZINC000465429471 878860009 /nfs/dbraw/zinc/86/00/09/878860009.db2.gz XAOLSPIQMUFCSO-LJQANCHMSA-N 0 3 400.523 4.031 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465747206 879333209 /nfs/dbraw/zinc/33/32/09/879333209.db2.gz FQDPSPINXSUYCY-OYYPCOLYSA-N 0 3 402.542 4.303 20 30 HIEDHN C=CCN1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)CC1 ZINC000465861690 879511569 /nfs/dbraw/zinc/51/15/69/879511569.db2.gz PJAGIDOJSOABPE-UHFFFAOYSA-N 0 3 413.562 4.156 20 30 HIEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000467037295 880834279 /nfs/dbraw/zinc/83/42/79/880834279.db2.gz WYODSKQCYHFGDD-HSZRJFAPSA-N 0 3 410.537 4.038 20 30 HIEDHN CS(=O)(=O)c1cccc([C@H](NCCc2cccc(C#N)c2)c2ccc(F)cc2)c1 ZINC000467438954 881237285 /nfs/dbraw/zinc/23/72/85/881237285.db2.gz JFNMIINYDWAVNW-HSZRJFAPSA-N 0 3 408.498 4.023 20 30 HIEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469248064 883345025 /nfs/dbraw/zinc/34/50/25/883345025.db2.gz UOTYYUZLKYWOGV-UHFFFAOYSA-N 0 3 424.495 4.427 20 30 HIEDHN N#Cc1cccc(-c2cc(C(=O)Nc3ccc(CCN4CCSCC4)cc3)on2)c1 ZINC000469342977 883458321 /nfs/dbraw/zinc/45/83/21/883458321.db2.gz WDEUVOITYIDXLE-UHFFFAOYSA-N 0 3 418.522 4.057 20 30 HIEDHN CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000470233235 884559724 /nfs/dbraw/zinc/55/97/24/884559724.db2.gz ONSWRHPWDNVLGU-UHFFFAOYSA-N 0 3 411.472 4.042 20 30 HIEDHN C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000471132390 885670609 /nfs/dbraw/zinc/67/06/09/885670609.db2.gz WTGFLBAALOYXHE-JTSKRJEESA-N 0 3 403.482 4.151 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC[C@]3(C2)OCc2ccccc23)sc2c1CCCCC2 ZINC000473178541 887958294 /nfs/dbraw/zinc/95/82/94/887958294.db2.gz XROWCTYHCHELFE-XMMPIXPASA-N 0 3 421.566 4.349 20 30 HIEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474223307 889061990 /nfs/dbraw/zinc/06/19/90/889061990.db2.gz OOFICQWRLYOKMK-FPOVZHCZSA-N 0 3 422.598 4.226 20 30 HIEDHN N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000504651525 913393974 /nfs/dbraw/zinc/39/39/74/913393974.db2.gz WIVVFUFNURDITK-XMMPIXPASA-N 0 3 400.526 4.194 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2c(C)onc2-c2c(Cl)cccc2OC)CC1 ZINC000475635913 890575835 /nfs/dbraw/zinc/57/58/35/890575835.db2.gz DOQVORSVBVSJKT-UHFFFAOYSA-N 0 3 403.910 4.082 20 30 HIEDHN C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CN1Cc1ccccc1 ZINC000504825128 913542114 /nfs/dbraw/zinc/54/21/14/913542114.db2.gz HMTREUPSKVFKIY-YADARESESA-N 0 3 400.526 4.020 20 30 HIEDHN N#CC[C@@H](CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000476428245 891341035 /nfs/dbraw/zinc/34/10/35/891341035.db2.gz NYEWVIRVMISBMY-GOTSBHOMSA-N 0 3 413.525 4.356 20 30 HIEDHN CCOc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC(F)F ZINC000479920918 895269004 /nfs/dbraw/zinc/26/90/04/895269004.db2.gz HIUFRYUNXQEDEF-UHFFFAOYSA-N 0 3 412.440 4.249 20 30 HIEDHN Cn1cc(CNCc2cc(Cl)c3c(c2)OCCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000479990372 895343992 /nfs/dbraw/zinc/34/39/92/895343992.db2.gz UCUYUHWJKONDHO-UHFFFAOYSA-N 0 3 408.889 4.063 20 30 HIEDHN C=CCC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CCC1 ZINC000480005488 895359151 /nfs/dbraw/zinc/35/91/51/895359151.db2.gz IGIYCDFAIRUPCS-UHFFFAOYSA-N 0 3 421.379 4.155 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cccc(C(C)=O)c1 ZINC000505433963 914098968 /nfs/dbraw/zinc/09/89/68/914098968.db2.gz ULAZRCKNWJGFIY-IBGZPJMESA-N 0 3 415.449 4.168 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC000482430560 897987349 /nfs/dbraw/zinc/98/73/49/897987349.db2.gz BGUXJVXQMSKATE-HNNXBMFYSA-N 0 3 409.374 4.258 20 30 HIEDHN C[C@H](Cn1ncc2ccccc2c1=O)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000482663035 898265295 /nfs/dbraw/zinc/26/52/95/898265295.db2.gz MTWVMEJUTPUVOH-LJQANCHMSA-N 0 3 424.504 4.025 20 30 HIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892855 898511972 /nfs/dbraw/zinc/51/19/72/898511972.db2.gz VFLAGJFKDWLEQU-DOTOQJQBSA-N 0 3 424.911 4.251 20 30 HIEDHN Cc1cc(=O)c(C(=O)C(C#N)c2nccc3ccccc32)nn1-c1cccc(Cl)c1 ZINC000483195391 898852197 /nfs/dbraw/zinc/85/21/97/898852197.db2.gz MABMHPYZQNGXFV-LJQANCHMSA-N 0 3 414.852 4.233 20 30 HIEDHN N#CC(C(=O)c1csc(I)c1)c1nccc2ccccc21 ZINC000483205327 898858459 /nfs/dbraw/zinc/85/84/59/898858459.db2.gz SRYJLCVXGNVFBM-ZDUSSCGKSA-N 0 3 404.232 4.391 20 30 HIEDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465339 899959967 /nfs/dbraw/zinc/95/99/67/899959967.db2.gz MWPSCABMTZFDQC-IUODEOHRSA-N 0 3 410.396 4.301 20 30 HIEDHN Cc1csc(Nc2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC000486060294 901255697 /nfs/dbraw/zinc/25/56/97/901255697.db2.gz GWUGPPJXKZZWPW-UHFFFAOYSA-N 0 3 419.554 4.271 20 30 HIEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4F)s3)C2=O)cc1 ZINC000486882861 901929891 /nfs/dbraw/zinc/92/98/91/901929891.db2.gz QFSSCZJPUSXKSU-NRFANRHFSA-N 0 3 405.498 4.317 20 30 HIEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000488344706 902778429 /nfs/dbraw/zinc/77/84/29/902778429.db2.gz IDYOBLHDLUOZDT-SFHVURJKSA-N 0 3 420.513 4.068 20 30 HIEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505395 902861178 /nfs/dbraw/zinc/86/11/78/902861178.db2.gz YRQFQOUGPKGKBT-WOJBJXKFSA-N 0 3 412.331 4.163 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000488933358 903083794 /nfs/dbraw/zinc/08/37/94/903083794.db2.gz BKXYOMLMTBUXNG-LJQANCHMSA-N 0 3 424.358 4.379 20 30 HIEDHN C=CCN1CCC(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CC1 ZINC000491032580 904384284 /nfs/dbraw/zinc/38/42/84/904384284.db2.gz BSROSUDREOUUMS-XMMPIXPASA-N 0 3 412.599 4.036 20 30 HIEDHN C=CCN1CCC(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CC1 ZINC000491032579 904384651 /nfs/dbraw/zinc/38/46/51/904384651.db2.gz BSROSUDREOUUMS-DEOSSOPVSA-N 0 3 412.599 4.036 20 30 HIEDHN C=C(C)CN1CCC(N[C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491034533 904387217 /nfs/dbraw/zinc/38/72/17/904387217.db2.gz HGXLXFPOQXRJKU-DEOSSOPVSA-N 0 3 412.599 4.118 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000492153346 904806692 /nfs/dbraw/zinc/80/66/92/904806692.db2.gz AEDAKMXSGJTZLX-UHFFFAOYSA-N 0 3 404.711 4.404 20 30 HIEDHN Cc1ccc2[nH]c([C@@H]3CCCN([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812750 904910980 /nfs/dbraw/zinc/91/09/80/904910980.db2.gz ZVWKYVNGRBWIFT-XXBNENTESA-N 0 3 413.525 4.118 20 30 HIEDHN Cc1ccc2nc([C@@H]3CCCN([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)[nH]c2c1 ZINC000492812750 904910999 /nfs/dbraw/zinc/91/09/99/904910999.db2.gz ZVWKYVNGRBWIFT-XXBNENTESA-N 0 3 413.525 4.118 20 30 HIEDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489200 905772868 /nfs/dbraw/zinc/77/28/68/905772868.db2.gz CGVDJHRKVOJTQH-ONGXBYRLSA-N 0 3 415.896 4.234 20 30 HIEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495008247 906169225 /nfs/dbraw/zinc/16/92/25/906169225.db2.gz XCHURQNCMYBWKW-MOXWOTFGSA-N 0 3 424.589 4.009 20 30 HIEDHN COc1cc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC(F)F ZINC000512619059 921264311 /nfs/dbraw/zinc/26/43/11/921264311.db2.gz WAXNGIFDJOZHEC-UHFFFAOYSA-N 0 3 415.440 4.019 20 30 HIEDHN C[C@H](NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625068 921266728 /nfs/dbraw/zinc/26/67/28/921266728.db2.gz LMFLGNQZWIUWIR-YCRPNKLZSA-N 0 3 421.438 4.440 20 30 HIEDHN CC(C)Oc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)N(C)C)cc1 ZINC000512801867 921314033 /nfs/dbraw/zinc/31/40/33/921314033.db2.gz IOGYVUNEBIBAKX-DEOSSOPVSA-N 0 3 420.557 4.322 20 30 HIEDHN CSc1ccccc1NC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512821167 921325329 /nfs/dbraw/zinc/32/53/29/921325329.db2.gz AWHUMVCRWRQTPE-UHFFFAOYSA-N 0 3 413.518 4.291 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000498376130 907866047 /nfs/dbraw/zinc/86/60/47/907866047.db2.gz YMRKTHYRABLKIY-UHFFFAOYSA-N 0 3 401.510 4.341 20 30 HIEDHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000499043090 908415396 /nfs/dbraw/zinc/41/53/96/908415396.db2.gz JYECPDMGBRZDAB-HXUWFJFHSA-N 0 3 407.558 4.348 20 30 HIEDHN COc1ccc(C[C@H](NCC(=O)Nc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000499052233 908423790 /nfs/dbraw/zinc/42/37/90/908423790.db2.gz ILXAGAQWLCOCAS-DEOSSOPVSA-N 0 3 415.493 4.088 20 30 HIEDHN CC(C)Cn1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000499210236 908566527 /nfs/dbraw/zinc/56/65/27/908566527.db2.gz JWHNEWUEZIHYDS-HNNXBMFYSA-N 0 3 408.412 4.322 20 30 HIEDHN COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000512950891 921433430 /nfs/dbraw/zinc/43/34/30/921433430.db2.gz IOMFBYNFTGYHKV-GFCCVEGCSA-N 0 3 413.405 4.121 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000499629774 908861134 /nfs/dbraw/zinc/86/11/34/908861134.db2.gz AFGFTWMCHASKOS-INIZCTEOSA-N 0 3 414.347 4.015 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000501849028 910882948 /nfs/dbraw/zinc/88/29/48/910882948.db2.gz LSGBKHOVWWRVQU-UHFFFAOYSA-N 0 3 403.448 4.257 20 30 HIEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513284265 921682947 /nfs/dbraw/zinc/68/29/47/921682947.db2.gz LLBYTDPPTRVKQG-HSZRJFAPSA-N 0 3 411.505 4.270 20 30 HIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000506598846 915247239 /nfs/dbraw/zinc/24/72/39/915247239.db2.gz DPXUBDLIKFCZMU-UGSOOPFHSA-N 0 3 401.894 4.297 20 30 HIEDHN CCCCNC(=O)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000507023454 915828031 /nfs/dbraw/zinc/82/80/31/915828031.db2.gz UQIFRSYQWNJDRS-UHFFFAOYSA-N 0 3 405.542 4.266 20 30 HIEDHN N#CCCn1cc(CN2CCCN(c3ccccc3C#N)CC2)c(-c2ccccc2)n1 ZINC000509138311 917865218 /nfs/dbraw/zinc/86/52/18/917865218.db2.gz MHQYJEAIDJWCJX-UHFFFAOYSA-N 0 3 410.525 4.048 20 30 HIEDHN CC(C)(C#N)c1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000510585153 919028538 /nfs/dbraw/zinc/02/85/38/919028538.db2.gz SKURHUBDJHFZCW-UHFFFAOYSA-N 0 3 419.573 4.212 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000510993739 919550609 /nfs/dbraw/zinc/55/06/09/919550609.db2.gz CSFYXVYDLQAILL-UHFFFAOYSA-N 0 3 412.578 4.087 20 30 HIEDHN C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CCN(C)CC1 ZINC000511291873 919888196 /nfs/dbraw/zinc/88/81/96/919888196.db2.gz WJJVVFHOXQLXBE-SFHVURJKSA-N 0 3 404.514 4.104 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000511793310 920488229 /nfs/dbraw/zinc/48/82/29/920488229.db2.gz QBAWHXSEWWMTKC-UBFVSLLYSA-N 0 3 417.553 4.055 20 30 HIEDHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)C(C#N)c1nc2ccccc2n1C ZINC000513670972 921993363 /nfs/dbraw/zinc/99/33/63/921993363.db2.gz FEFZMEJKLJSMHV-GOSISDBHSA-N 0 3 420.476 4.495 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000514003121 922327843 /nfs/dbraw/zinc/32/78/43/922327843.db2.gz HRIXFZYZAMRNJK-SFHVURJKSA-N 0 3 405.970 4.181 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000514230190 922566013 /nfs/dbraw/zinc/56/60/13/922566013.db2.gz IKWJIPSTKQTAJU-UHFFFAOYSA-N 0 3 420.395 4.379 20 30 HIEDHN N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)s2)cc1 ZINC000515217573 922999387 /nfs/dbraw/zinc/99/93/87/922999387.db2.gz PSEGCYOIHDNEBV-HXUWFJFHSA-N 0 3 417.538 4.002 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000517342027 924116338 /nfs/dbraw/zinc/11/63/38/924116338.db2.gz ZGBGXISALBQCQS-UHFFFAOYSA-N 0 3 418.994 4.489 20 30 HIEDHN CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000517644076 926750917 /nfs/dbraw/zinc/75/09/17/926750917.db2.gz CQHXOBRWORSUGD-NRFANRHFSA-N 0 3 404.558 4.070 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1 ZINC000518004486 926945871 /nfs/dbraw/zinc/94/58/71/926945871.db2.gz LZYOCROISVLOHB-UHFFFAOYSA-N 0 3 409.578 4.391 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000518513249 927319102 /nfs/dbraw/zinc/31/91/02/927319102.db2.gz YHHJZOSYXMNRNI-UHFFFAOYSA-N 0 3 408.384 4.410 20 30 HIEDHN N#Cc1ccc(C(F)(F)F)nc1SC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000518803301 927502491 /nfs/dbraw/zinc/50/24/91/927502491.db2.gz SLLKMZDSIHZHSU-KRWDZBQOSA-N 0 3 407.461 4.355 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CC1 ZINC000519288059 927864466 /nfs/dbraw/zinc/86/44/66/927864466.db2.gz XFYLPXRAQKVDEY-UHFFFAOYSA-N 0 3 424.520 4.169 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)cc(Br)c2OC)CC1 ZINC000519287800 927864491 /nfs/dbraw/zinc/86/44/91/927864491.db2.gz PIUSXLFGBPXFRC-UHFFFAOYSA-N 0 3 416.747 4.273 20 30 HIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000521123156 929009196 /nfs/dbraw/zinc/00/91/96/929009196.db2.gz NSASYOLBVCJVQJ-IBGZPJMESA-N 0 3 414.531 4.191 20 30 HIEDHN C[C@@H](OC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666528 929781350 /nfs/dbraw/zinc/78/13/50/929781350.db2.gz CAVKGYRACXAXTE-UTKZUKDTSA-N 0 3 414.933 4.194 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(OC3CCC(C)CC3)CC2)c(OC)c1 ZINC000524676937 929790066 /nfs/dbraw/zinc/79/00/66/929790066.db2.gz WAMCDYOLZRWSHO-NJEKYYFSSA-N 0 3 417.590 4.223 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000524895333 929876749 /nfs/dbraw/zinc/87/67/49/929876749.db2.gz VFLYAEDLGMSINB-HXUWFJFHSA-N 0 3 424.976 4.183 20 30 HIEDHN N#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530638965 930783054 /nfs/dbraw/zinc/78/30/54/930783054.db2.gz MXBWDFYADRQJAF-LJQANCHMSA-N 0 3 403.404 4.176 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000530908053 930856209 /nfs/dbraw/zinc/85/62/09/930856209.db2.gz TZAWAGDDPKMPJJ-FQEVSTJZSA-N 0 3 403.448 4.319 20 30 HIEDHN COc1ccc([C@@H](NCCOc2ccc(C#N)cc2OC)c2ccc(F)cc2)cc1 ZINC000532702450 931596755 /nfs/dbraw/zinc/59/67/55/931596755.db2.gz JDEYAAZNILNGFQ-DEOSSOPVSA-N 0 3 406.457 4.473 20 30 HIEDHN CCOC(=O)CC1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533244797 931817802 /nfs/dbraw/zinc/81/78/02/931817802.db2.gz SEHBCIQDHYFCFJ-UHFFFAOYSA-N 0 3 422.525 4.311 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1 ZINC000534753514 932730343 /nfs/dbraw/zinc/73/03/43/932730343.db2.gz KWAHKNWNKBMYJC-DQEYMECFSA-N 0 3 411.505 4.312 20 30 HIEDHN CN(C)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 ZINC000535262020 933041413 /nfs/dbraw/zinc/04/14/13/933041413.db2.gz MTSQZMMJSHSEKS-FQEVSTJZSA-N 0 3 417.484 4.392 20 30 HIEDHN COc1ccc(NC(=O)C[C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000537986732 938449983 /nfs/dbraw/zinc/44/99/83/938449983.db2.gz LOACYCPCNWOQAC-HNNXBMFYSA-N 0 3 420.431 4.081 20 30 HIEDHN Cc1cccn2c1ncc(C(=O)C(C#N)c1nc(-c3ccc(Cl)cc3)cs1)c2=O ZINC000538046122 938480678 /nfs/dbraw/zinc/48/06/78/938480678.db2.gz WLMYZYXMZIWFCX-HNNXBMFYSA-N 0 3 420.881 4.270 20 30 HIEDHN COc1ccc(C[C@@H](NCC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1OC ZINC000538159198 938528426 /nfs/dbraw/zinc/52/84/26/938528426.db2.gz SFWSYDUKHIDSPZ-JOCHJYFZSA-N 0 3 415.493 4.088 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000538191347 938546660 /nfs/dbraw/zinc/54/66/60/938546660.db2.gz SPBNQOXIUUBZJJ-BOCKYXSRSA-N 0 3 409.555 4.387 20 30 HIEDHN C=CCC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000538231885 938566480 /nfs/dbraw/zinc/56/64/80/938566480.db2.gz YMINANAEWJFUJZ-FQEVSTJZSA-N 0 3 401.432 4.490 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276993 938831852 /nfs/dbraw/zinc/83/18/52/938831852.db2.gz QDNUBEVVECHQPX-UAVUOLJFSA-N 0 3 424.520 4.172 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276990 938831915 /nfs/dbraw/zinc/83/19/15/938831915.db2.gz QDNUBEVVECHQPX-KCYKTTMJSA-N 0 3 424.520 4.172 20 30 HIEDHN N#CCCN(CCC#N)C(=O)CN[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000539333183 938843302 /nfs/dbraw/zinc/84/33/02/938843302.db2.gz TZFUDTGVOQZIEH-ILBGXUMGSA-N 0 3 400.526 4.093 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000539334436 938843577 /nfs/dbraw/zinc/84/35/77/938843577.db2.gz WTWXSBZINNSRGE-ZJSXRUAMSA-N 0 3 405.542 4.308 20 30 HIEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000539623859 938889620 /nfs/dbraw/zinc/88/96/20/938889620.db2.gz UGBHBEOIZSBTSD-UHFFFAOYSA-N 0 3 415.459 4.465 20 30 HIEDHN COc1ccc([C@H](CO)N(C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000539827751 938949207 /nfs/dbraw/zinc/94/92/07/938949207.db2.gz XRMAPBWIFCXYOA-VWLOTQADSA-N 0 3 402.494 4.311 20 30 HIEDHN Cc1c([C@H](C)NC2CCC(Oc3ccccc3C#N)CC2)nnn1-c1ccccc1 ZINC000540179886 939107911 /nfs/dbraw/zinc/10/79/11/939107911.db2.gz JBRJZGUIKMFDGA-RYHLMMNBSA-N 0 3 401.514 4.488 20 30 HIEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000540380575 939220235 /nfs/dbraw/zinc/22/02/35/939220235.db2.gz PCDOCPNHAIQAOL-XMMPIXPASA-N 0 3 404.535 4.296 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3I)CC2)cc1 ZINC000540982718 939424935 /nfs/dbraw/zinc/42/49/35/939424935.db2.gz HXGSIXAQVYLNHC-UHFFFAOYSA-N 0 3 417.294 4.239 20 30 HIEDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027751 939435268 /nfs/dbraw/zinc/43/52/68/939435268.db2.gz KUJQOBCYDZTBEI-AAXCNWCCSA-N 0 3 407.562 4.151 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000541555338 939554116 /nfs/dbraw/zinc/55/41/16/939554116.db2.gz YGBYYASFQQFDNI-OAQYLSRUSA-N 0 3 406.526 4.155 20 30 HIEDHN C[C@H](NCc1cnc(N2CCOCC2)s1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542924295 939878557 /nfs/dbraw/zinc/87/85/57/939878557.db2.gz LXMQJUDGWLXFEH-KRWDZBQOSA-N 0 3 404.539 4.369 20 30 HIEDHN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934047 939881260 /nfs/dbraw/zinc/88/12/60/939881260.db2.gz GVAKHDGJDZHAAP-YWZLYKJASA-N 0 3 401.432 4.429 20 30 HIEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000545704718 940581610 /nfs/dbraw/zinc/58/16/10/940581610.db2.gz DVACSKWVMKPTKF-UHFFFAOYSA-N 0 3 417.513 4.097 20 30 HIEDHN Cn1ccc([C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000546575252 940856136 /nfs/dbraw/zinc/85/61/36/940856136.db2.gz KDWFURMTBVFING-DEOSSOPVSA-N 0 3 419.960 4.289 20 30 HIEDHN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCN(C2CCCC2)CC1 ZINC000549639520 941202444 /nfs/dbraw/zinc/20/24/44/941202444.db2.gz MFRUNGYNJAQZDC-UHFFFAOYSA-N 0 3 402.546 4.134 20 30 HIEDHN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000552200042 941601242 /nfs/dbraw/zinc/60/12/42/941601242.db2.gz SFUURTBESGXAAQ-OAQYLSRUSA-N 0 3 413.477 4.169 20 30 HIEDHN C=CCOc1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000554182726 942060283 /nfs/dbraw/zinc/06/02/83/942060283.db2.gz SWQWSBBHDGMURW-UHFFFAOYSA-N 0 3 411.571 4.164 20 30 HIEDHN C=C(C)[C@@H](CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)OCC ZINC000555161412 942411229 /nfs/dbraw/zinc/41/12/29/942411229.db2.gz HBUQKYGAZUITSY-HXUWFJFHSA-N 0 3 423.395 4.243 20 30 HIEDHN COc1ccc(-c2nc(C)c([C@@H](C)NCc3cnc4ccc(C#N)cn34)s2)cc1 ZINC000556582870 942906401 /nfs/dbraw/zinc/90/64/01/942906401.db2.gz AYOQZVKBTLZLSX-CQSZACIVSA-N 0 3 403.511 4.497 20 30 HIEDHN CCCN(C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000556927030 942969335 /nfs/dbraw/zinc/96/93/35/942969335.db2.gz KURPGNNEJZPALT-QGZVFWFLSA-N 0 3 424.854 4.438 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 ZINC000557272678 943063793 /nfs/dbraw/zinc/06/37/93/943063793.db2.gz DAVWEYSGMYLQAA-UHFFFAOYSA-N 0 3 407.440 4.053 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910237 943326632 /nfs/dbraw/zinc/32/66/32/943326632.db2.gz QVBIKOAQLRGLQW-LPHOPBHVSA-N 0 3 407.470 4.182 20 30 HIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC4(CCC4)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000558476058 943569347 /nfs/dbraw/zinc/56/93/47/943569347.db2.gz JHGPETGRMIYNJU-FQELHTAISA-N 0 3 413.587 4.107 20 30 HIEDHN CN(C)c1noc([C@@H]2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000558742963 943637405 /nfs/dbraw/zinc/63/74/05/943637405.db2.gz QQCZWXQCOYKIKS-HXUWFJFHSA-N 0 3 415.541 4.215 20 30 HIEDHN C=CCC[C@H](NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000561160574 944489434 /nfs/dbraw/zinc/48/94/34/944489434.db2.gz JOUKHVVUNXDMSC-DEOSSOPVSA-N 0 3 402.542 4.402 20 30 HIEDHN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000567424150 946334200 /nfs/dbraw/zinc/33/42/00/946334200.db2.gz SWKDTMKSNJRSRM-CQSZACIVSA-N 0 3 400.338 4.268 20 30 HIEDHN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000571898910 947808191 /nfs/dbraw/zinc/80/81/91/947808191.db2.gz UPYKEMRPOSXSCP-JOCHJYFZSA-N 0 3 402.546 4.017 20 30 HIEDHN COc1cccc([C@H](CNC[C@@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945722 947818847 /nfs/dbraw/zinc/81/88/47/947818847.db2.gz QASCLVPSGQLBNG-XLIONFOSSA-N 0 3 402.498 4.350 20 30 HIEDHN N#Cc1ccccc1COc1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000573140641 948086600 /nfs/dbraw/zinc/08/66/00/948086600.db2.gz YRCLJOLKXYNVRB-OAQYLSRUSA-N 0 3 404.432 4.417 20 30 HIEDHN CN1CC[C@H](NCc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573142565 948087222 /nfs/dbraw/zinc/08/72/22/948087222.db2.gz ARYBCZSLWITYCQ-PKOBYXMFSA-N 0 3 409.839 4.487 20 30 HIEDHN C=CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000573617315 948252317 /nfs/dbraw/zinc/25/23/17/948252317.db2.gz YHPDEPSYFMVJPP-HNNXBMFYSA-N 0 3 412.419 4.302 20 30 HIEDHN N#Cc1cc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627780 719079418 /nfs/dbraw/zinc/07/94/18/719079418.db2.gz QRDBBRAFOLNEFY-APWZRJJASA-N 0 3 402.876 4.252 20 30 HIEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164628527 719080922 /nfs/dbraw/zinc/08/09/22/719080922.db2.gz SGSKYSGJJFCYMS-QFBILLFUSA-N 0 3 402.876 4.252 20 30 HIEDHN CCOc1ccc(C(=O)N2CCC(/[NH+]=C/c3ccc(N(CC)CC)cc3[O-])CC2)cc1 ZINC000017701356 846264770 /nfs/dbraw/zinc/26/47/70/846264770.db2.gz HELXSFDMVJFPOC-NLRVBDNBSA-N 0 3 423.557 4.361 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1cccc(OC)c1 ZINC000025860911 847047427 /nfs/dbraw/zinc/04/74/27/847047427.db2.gz DUYVPEMAYHNTOC-OAQYLSRUSA-N 0 3 420.513 4.072 20 30 HIEDHN CC(C)Oc1ccccc1[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046648789 848898141 /nfs/dbraw/zinc/89/81/41/848898141.db2.gz UZQHREVZGFDUHQ-LJQANCHMSA-N 0 3 408.546 4.180 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(Cl)ccc1OC ZINC000052485684 849586999 /nfs/dbraw/zinc/58/69/99/849586999.db2.gz YZVDGRPBHYKMMG-UHFFFAOYSA-N 0 3 406.983 4.447 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(Cl)cc1Cl ZINC000058899048 850954287 /nfs/dbraw/zinc/95/42/87/850954287.db2.gz NUVNJVMAJSCWHO-UHFFFAOYSA-N 0 3 420.340 4.224 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061791549 851454406 /nfs/dbraw/zinc/45/44/06/851454406.db2.gz YFOCZUCXZCUJIM-UHFFFAOYSA-N 0 3 420.582 4.370 20 30 HIEDHN Cc1c([C@H](C)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(C)cc1 ZINC000437081418 862277081 /nfs/dbraw/zinc/27/70/81/862277081.db2.gz HJMYUJMLHVIMJI-RYHLMMNBSA-N 0 3 416.529 4.192 20 30 HIEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)N(C)C)cc1 ZINC000065409310 852122370 /nfs/dbraw/zinc/12/23/70/852122370.db2.gz WDMBSQUTUFXJEX-SFHVURJKSA-N 0 3 420.435 4.232 20 30 HIEDHN COc1cccc(CN(Cc2ccc(C#N)cc2OC(F)F)C2CCC(O)CC2)c1 ZINC000437143180 862334340 /nfs/dbraw/zinc/33/43/40/862334340.db2.gz QHVAIAFGJUPKRA-UHFFFAOYSA-N 0 3 416.468 4.474 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000065930002 852320909 /nfs/dbraw/zinc/32/09/09/852320909.db2.gz MDDQURRDPXVBED-UHFFFAOYSA-N 0 3 401.963 4.035 20 30 HIEDHN CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000110989309 853180609 /nfs/dbraw/zinc/18/06/09/853180609.db2.gz MHSKKLFJUYCCOC-MRXNPFEDSA-N 0 3 412.921 4.279 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000139478148 853411000 /nfs/dbraw/zinc/41/10/00/853411000.db2.gz ONWZCOOYQALIGH-UHFFFAOYSA-N 0 3 407.518 4.051 20 30 HIEDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000195662450 853744495 /nfs/dbraw/zinc/74/44/95/853744495.db2.gz WRPJBAJLGHABRW-LRDDRELGSA-N 0 3 410.480 4.470 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)CC1 ZINC000216943335 853859529 /nfs/dbraw/zinc/85/95/29/853859529.db2.gz IWKYNKCBONLKGH-UHFFFAOYSA-N 0 3 409.505 4.157 20 30 HIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(I)c1OC ZINC000237168767 853975394 /nfs/dbraw/zinc/97/53/94/853975394.db2.gz BILCBAOBJCYOEZ-LBPRGKRZSA-N 0 3 422.266 4.031 20 30 HIEDHN COc1ccc(CNc2ccc(N3CCN(C)CC3)cc2C)cc1OCCCC#N ZINC000237399132 854023459 /nfs/dbraw/zinc/02/34/59/854023459.db2.gz SDICJOAUHRSSJR-UHFFFAOYSA-N 0 3 408.546 4.050 20 30 HIEDHN N=C(NCC(=O)Nc1ccc(F)c(F)c1F)Nc1cccc(Oc2ccccc2)c1 ZINC000304513132 855356136 /nfs/dbraw/zinc/35/61/36/855356136.db2.gz XSRKBPLHNFYNRV-UHFFFAOYSA-N 0 3 414.387 4.262 20 30 HIEDHN C=CCOc1cccc(CNC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000428413211 857196846 /nfs/dbraw/zinc/19/68/46/857196846.db2.gz YMLGCPIYNBYYKA-UHFFFAOYSA-N 0 3 410.514 4.310 20 30 HIEDHN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794959 857343673 /nfs/dbraw/zinc/34/36/73/857343673.db2.gz PCZZAQBTTNQTLX-MBSDFSHPSA-N 0 3 412.493 4.420 20 30 HIEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911332 857409059 /nfs/dbraw/zinc/40/90/59/857409059.db2.gz JIBJYZKFEPXQQR-UGKGYDQZSA-N 0 3 413.525 4.029 20 30 HIEDHN COc1cc(Cl)c(Br)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000429112836 857515646 /nfs/dbraw/zinc/51/56/46/857515646.db2.gz IRDIQRMPSYTSLE-LLVKDONJSA-N 0 3 418.678 4.488 20 30 HIEDHN CC(C)N1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429775874 857880214 /nfs/dbraw/zinc/88/02/14/857880214.db2.gz QVFLYZSFGXISEZ-MJGOQNOKSA-N 0 3 420.941 4.164 20 30 HIEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)nc1 ZINC000430185116 858071599 /nfs/dbraw/zinc/07/15/99/858071599.db2.gz IKAXQKKGKMWUIF-INIZCTEOSA-N 0 3 406.467 4.243 20 30 HIEDHN CCCN(C(=O)c1cccs1)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000431157167 858476764 /nfs/dbraw/zinc/47/67/64/858476764.db2.gz ROMDWMYRQZIFMS-UHFFFAOYSA-N 0 3 411.571 4.405 20 30 HIEDHN N#CCCC[C@@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000433011900 859477291 /nfs/dbraw/zinc/47/72/91/859477291.db2.gz HKIXGQLAHCSRRL-HXUWFJFHSA-N 0 3 405.523 4.373 20 30 HIEDHN N#CCCn1cc(CNCc2ccc(F)cc2C(F)(F)F)c(-c2ccncc2)n1 ZINC000433319178 859637450 /nfs/dbraw/zinc/63/74/50/859637450.db2.gz NSTWXGIQVBOGJH-UHFFFAOYSA-N 0 3 403.383 4.306 20 30 HIEDHN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000435890099 861146721 /nfs/dbraw/zinc/14/67/21/861146721.db2.gz XPDINRQDRZFSGS-JKSUJKDBSA-N 0 3 400.320 4.435 20 30 HIEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000437837215 863191406 /nfs/dbraw/zinc/19/14/06/863191406.db2.gz DZLHCEYFBYRXTN-QFIPXVFZSA-N 0 3 422.529 4.234 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)cc2OCc2ccccc2)CC1 ZINC000439682503 865017161 /nfs/dbraw/zinc/01/71/61/865017161.db2.gz QSJDUVZUWHIBPD-UHFFFAOYSA-N 0 3 409.530 4.436 20 30 HIEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440537796 865809212 /nfs/dbraw/zinc/80/92/12/865809212.db2.gz HAFLZRNBDIXREL-SYJLOODJSA-N 0 3 413.587 4.107 20 30 HIEDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CN1C1CC1 ZINC000441290046 866364247 /nfs/dbraw/zinc/36/42/47/866364247.db2.gz WWCDYCFVBLONCF-VGOFRKELSA-N 0 3 406.505 4.034 20 30 HIEDHN CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000441487660 866568558 /nfs/dbraw/zinc/56/85/58/866568558.db2.gz FWGSOLQBYIZEEM-HSZRJFAPSA-N 0 3 415.541 4.485 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)cc3C)n2)cc1 ZINC000442867971 867704332 /nfs/dbraw/zinc/70/43/32/867704332.db2.gz BHNWOBYWBYKTKV-LJQANCHMSA-N 0 3 415.478 4.198 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000443108110 867821612 /nfs/dbraw/zinc/82/16/12/867821612.db2.gz MACXYKLQLQGOPT-UHFFFAOYSA-N 0 3 413.459 4.216 20 30 HIEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443672752 868279457 /nfs/dbraw/zinc/27/94/57/868279457.db2.gz HGXYOBKJURUNMX-OALUTQOASA-N 0 3 423.582 4.329 20 30 HIEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273488 868709497 /nfs/dbraw/zinc/70/94/97/868709497.db2.gz PWTUMHPRHZAZJT-AUSIDOKSSA-N 0 3 400.526 4.195 20 30 HIEDHN CC(C)(C#N)CCCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000444587743 868891448 /nfs/dbraw/zinc/89/14/48/868891448.db2.gz BOUVVKOHAXSTDX-UHFFFAOYSA-N 0 3 401.580 4.068 20 30 HIEDHN C=CC[C@@H]1N(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1(C)C ZINC000444777197 868997859 /nfs/dbraw/zinc/99/78/59/868997859.db2.gz FEJLMLCIUJUUEF-SFHVURJKSA-N 0 3 401.507 4.329 20 30 HIEDHN C=CCN1CCC(NC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000468324833 882254140 /nfs/dbraw/zinc/25/41/40/882254140.db2.gz AIUZQSIHTPDUIW-UHFFFAOYSA-N 0 3 415.887 4.340 20 30 HIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445893428 869875751 /nfs/dbraw/zinc/87/57/51/869875751.db2.gz KCFDQXPLVKIQKL-KRWDZBQOSA-N 0 3 410.440 4.123 20 30 HIEDHN CC(C)c1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000448348412 872296029 /nfs/dbraw/zinc/29/60/29/872296029.db2.gz KNCZETQMKQWJIK-UHFFFAOYSA-N 0 3 400.526 4.434 20 30 HIEDHN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460367218 873001197 /nfs/dbraw/zinc/00/11/97/873001197.db2.gz ASWOFQJXTGOCHQ-XMGTWHOFSA-N 0 3 409.578 4.018 20 30 HIEDHN C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460556456 873275296 /nfs/dbraw/zinc/27/52/96/873275296.db2.gz HHGLUNQHNCUREY-QFBILLFUSA-N 0 3 415.969 4.321 20 30 HIEDHN N#Cc1ccc(CN2CCC(N[C@H](CO)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000463246905 876304860 /nfs/dbraw/zinc/30/48/60/876304860.db2.gz YCKDKVAIJOAHEU-HXUWFJFHSA-N 0 3 404.341 4.153 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000463507959 876569176 /nfs/dbraw/zinc/56/91/76/876569176.db2.gz SXECWJQSLJPVEE-UHFFFAOYSA-N 0 3 403.448 4.100 20 30 HIEDHN COCCCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CCN(C)CC1 ZINC000464719133 877945557 /nfs/dbraw/zinc/94/55/57/877945557.db2.gz HYWZHTSNZHUGCR-UHFFFAOYSA-N 0 3 423.582 4.282 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000465443616 878874265 /nfs/dbraw/zinc/87/42/65/878874265.db2.gz PBDRVFYJEBZHGT-WXFUMESZSA-N 0 3 402.542 4.305 20 30 HIEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466225448 879925273 /nfs/dbraw/zinc/92/52/73/879925273.db2.gz ZLCDZUZSEBQERN-GOSISDBHSA-N 0 3 410.331 4.085 20 30 HIEDHN C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](c1ccccc1)N(C)C ZINC000471578166 886289083 /nfs/dbraw/zinc/28/90/83/886289083.db2.gz OHMALFSLIASSNW-UZUQRXQVSA-N 0 3 403.482 4.151 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000471748114 886474212 /nfs/dbraw/zinc/47/42/12/886474212.db2.gz XHMPNEFQFHASIE-UHFFFAOYSA-N 0 3 409.839 4.434 20 30 HIEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000504434115 913245296 /nfs/dbraw/zinc/24/52/96/913245296.db2.gz BGRAARIIJMEDAX-NRFANRHFSA-N 0 3 408.546 4.247 20 30 HIEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473818222 888647427 /nfs/dbraw/zinc/64/74/27/888647427.db2.gz NBCSLMHTBPJTIP-UHFFFAOYSA-N 0 3 408.546 4.057 20 30 HIEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000475567645 890497599 /nfs/dbraw/zinc/49/75/99/890497599.db2.gz LIHNLYIHQNRDHU-VWLOTQADSA-N 0 3 407.558 4.297 20 30 HIEDHN N#Cc1ccc(CN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C2CC2)cc1 ZINC000504839498 913562398 /nfs/dbraw/zinc/56/23/98/913562398.db2.gz BQOPSMROFKGGET-JOCHJYFZSA-N 0 3 409.480 4.207 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036484 893167795 /nfs/dbraw/zinc/16/77/95/893167795.db2.gz KZBAMUPKQUMVNP-PKOBYXMFSA-N 0 3 416.587 4.192 20 30 HIEDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000480370677 895778361 /nfs/dbraw/zinc/77/83/61/895778361.db2.gz YTVGRARTLPRMPR-UHFFFAOYSA-N 0 3 414.941 4.127 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481647568 897033535 /nfs/dbraw/zinc/03/35/35/897033535.db2.gz UGTWGJXQVRSJPT-XMMPIXPASA-N 0 3 423.582 4.290 20 30 HIEDHN COC(=O)c1ccc(COc2ccc(CN[C@@H](C)c3ccc(C#N)cc3)cc2OC)o1 ZINC000482200500 897678611 /nfs/dbraw/zinc/67/86/11/897678611.db2.gz TZXPPQNHWWEEHJ-INIZCTEOSA-N 0 3 420.465 4.376 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000482356720 897871466 /nfs/dbraw/zinc/87/14/66/897871466.db2.gz WCXIBBIBJHQHDD-HNNXBMFYSA-N 0 3 409.374 4.258 20 30 HIEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CSc1ccc(C#N)cc1 ZINC000482866721 898479501 /nfs/dbraw/zinc/47/95/01/898479501.db2.gz HBCZHRWXVRBGEG-JOCHJYFZSA-N 0 3 407.583 4.240 20 30 HIEDHN CC(C)C[C@@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058168 898734524 /nfs/dbraw/zinc/73/45/24/898734524.db2.gz IXTQBCHQCHVOHV-WOJBJXKFSA-N 0 3 406.368 4.108 20 30 HIEDHN CCCC[C@@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088261 898773524 /nfs/dbraw/zinc/77/35/24/898773524.db2.gz KNCYZGXTIOPNMI-UXHICEINSA-N 0 3 406.368 4.253 20 30 HIEDHN N#CC(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cnc2ccccc2n1 ZINC000483194305 898851291 /nfs/dbraw/zinc/85/12/91/898851291.db2.gz GTWXUEHARIGEAK-HXUWFJFHSA-N 0 3 419.444 4.347 20 30 HIEDHN Cc1cc(=O)c(C(=O)C(C#N)c2nccc3ccccc32)nn1-c1cccc(Cl)c1 ZINC000483195388 898852115 /nfs/dbraw/zinc/85/21/15/898852115.db2.gz MABMHPYZQNGXFV-IBGZPJMESA-N 0 3 414.852 4.233 20 30 HIEDHN CCOC(=O)c1c(C)c2ccccc2nc1C(C#N)C(=O)Nc1cc(C)ccc1F ZINC000505755375 914427621 /nfs/dbraw/zinc/42/76/21/914427621.db2.gz FBEZMYAWUUXYTJ-INIZCTEOSA-N 0 3 405.429 4.413 20 30 HIEDHN COc1cc(NC(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC ZINC000505772661 914439083 /nfs/dbraw/zinc/43/90/83/914439083.db2.gz UKZIOZGMVCLKJN-INIZCTEOSA-N 0 3 423.494 4.390 20 30 HIEDHN COCCSc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324235 900606634 /nfs/dbraw/zinc/60/66/34/900606634.db2.gz VTTWILACCCETBT-JTSKRJEESA-N 0 3 409.555 4.143 20 30 HIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330728 900615400 /nfs/dbraw/zinc/61/54/00/900615400.db2.gz LKTFUJGHSGNYGI-QRWLVFNGSA-N 0 3 417.431 4.346 20 30 HIEDHN C=CCSc1ccccc1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485467046 900761666 /nfs/dbraw/zinc/76/16/66/900761666.db2.gz PKRVMXXYUWSTGW-RTBURBONSA-N 0 3 402.604 4.316 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2c(C#N)cnc3ccc(C)cc32)[C@@H]1c1cnn(C)c1 ZINC000487716793 902313712 /nfs/dbraw/zinc/31/37/12/902313712.db2.gz DFTDBOWPUBVCSE-FDDCHVKYSA-N 0 3 402.546 4.058 20 30 HIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)Cc3ccc(F)c(F)c3)sc2C1 ZINC000488497993 902856038 /nfs/dbraw/zinc/85/60/38/902856038.db2.gz VFOMCHLOSBEKQW-ZDUSSCGKSA-N 0 3 403.498 4.483 20 30 HIEDHN N#CC(C(=O)c1cnc(OC2CCCCC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000496720631 906743620 /nfs/dbraw/zinc/74/36/20/906743620.db2.gz DCNKYRROMARTFD-MRXNPFEDSA-N 0 3 413.909 4.254 20 30 HIEDHN COc1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)ccc1OC(F)F ZINC000512981329 921452820 /nfs/dbraw/zinc/45/28/20/921452820.db2.gz OLOHIASRNOQDBO-ZDUSSCGKSA-N 0 3 401.394 4.305 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)CC1 ZINC000500857520 910132385 /nfs/dbraw/zinc/13/23/85/910132385.db2.gz GPVYQSCCWHMYJY-UHFFFAOYSA-N 0 3 404.539 4.476 20 30 HIEDHN COc1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1OCCCC#N ZINC000513107932 921556041 /nfs/dbraw/zinc/55/60/41/921556041.db2.gz YREYXXJZTRAJQM-OAQYLSRUSA-N 0 3 421.541 4.020 20 30 HIEDHN C=C(C)[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014767 910978968 /nfs/dbraw/zinc/97/89/68/910978968.db2.gz GEUZBUOWRVCCJY-RTWAWAEBSA-N 0 3 403.473 4.193 20 30 HIEDHN COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077361 912048234 /nfs/dbraw/zinc/04/82/34/912048234.db2.gz UEIOKOFSQKOVHZ-WMZHIEFXSA-N 0 3 416.525 4.425 20 30 HIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000506598842 915247132 /nfs/dbraw/zinc/24/71/32/915247132.db2.gz DPXUBDLIKFCZMU-FZKQIMNGSA-N 0 3 401.894 4.297 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000507185271 915932106 /nfs/dbraw/zinc/93/21/06/915932106.db2.gz ZQPVHHKYVRVFRU-UHFFFAOYSA-N 0 3 420.395 4.379 20 30 HIEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424207 916194352 /nfs/dbraw/zinc/19/43/52/916194352.db2.gz TVSHAOXNJJTBIJ-QRWLVFNGSA-N 0 3 417.538 4.231 20 30 HIEDHN Cc1sc(Br)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000507536623 916292901 /nfs/dbraw/zinc/29/29/01/916292901.db2.gz XHZYTLZKYZXEJD-UHFFFAOYSA-N 0 3 420.376 4.203 20 30 HIEDHN N#Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000507848631 916667512 /nfs/dbraw/zinc/66/75/12/916667512.db2.gz PNHXXVKXNMGLAW-QGZVFWFLSA-N 0 3 421.324 4.148 20 30 HIEDHN C=C(C)COc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1OC ZINC000508038766 916867621 /nfs/dbraw/zinc/86/76/21/916867621.db2.gz NNXKPYZFVVJTKI-HXUWFJFHSA-N 0 3 409.530 4.204 20 30 HIEDHN CC(C)N(C)C(=O)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000509550693 918201247 /nfs/dbraw/zinc/20/12/47/918201247.db2.gz XOPLYQBCSFXRAI-UHFFFAOYSA-N 0 3 405.542 4.216 20 30 HIEDHN CCN1CCC[C@@H](CN(C)c2c(C#N)cnc3c(F)cc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000509609103 918256853 /nfs/dbraw/zinc/25/68/53/918256853.db2.gz OUFYFLBVQPMFEL-OYHNWAKOSA-N 0 3 424.499 4.028 20 30 HIEDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645251 919087086 /nfs/dbraw/zinc/08/70/86/919087086.db2.gz HFXMNXQMNVYOMY-SFTDATJTSA-N 0 3 418.541 4.108 20 30 HIEDHN C[C@@H](N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603705 920250130 /nfs/dbraw/zinc/25/01/30/920250130.db2.gz IIHPVBQWNHKQAT-KDOFPFPSSA-N 0 3 409.452 4.357 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490090 921842140 /nfs/dbraw/zinc/84/21/40/921842140.db2.gz LXSGNUNKLBETQQ-HNAYVOBHSA-N 0 3 423.542 4.449 20 30 HIEDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490091 921842478 /nfs/dbraw/zinc/84/24/78/921842478.db2.gz LXSGNUNKLBETQQ-KXBFYZLASA-N 0 3 423.542 4.449 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000514579333 922716098 /nfs/dbraw/zinc/71/60/98/922716098.db2.gz OLGNXIYVTRVPTO-UHFFFAOYSA-N 0 3 404.558 4.143 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000517316040 924097536 /nfs/dbraw/zinc/09/75/36/924097536.db2.gz JMSOXOPMBSZBHS-UHFFFAOYSA-N 0 3 406.555 4.371 20 30 HIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654597 926762491 /nfs/dbraw/zinc/76/24/91/926762491.db2.gz ZJVBZDRUTAXGSZ-GCJKJVERSA-N 0 3 412.493 4.311 20 30 HIEDHN CCN1CCN(c2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)c(C)c2)CC1 ZINC000518167371 927059351 /nfs/dbraw/zinc/05/93/51/927059351.db2.gz DXOTVKFNLPQJNX-DEOSSOPVSA-N 0 3 420.557 4.051 20 30 HIEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CC1 ZINC000518580456 927359947 /nfs/dbraw/zinc/35/99/47/927359947.db2.gz YZUMLOBZLABLIE-UHFFFAOYSA-N 0 3 422.529 4.110 20 30 HIEDHN CCN(CC)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000518921934 927629895 /nfs/dbraw/zinc/62/98/95/927629895.db2.gz KFQNQXCQIHRNSU-HXUWFJFHSA-N 0 3 418.463 4.459 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000519285571 927863775 /nfs/dbraw/zinc/86/37/75/927863775.db2.gz BEDKJYQSUBTONA-QFIPXVFZSA-N 0 3 411.521 4.286 20 30 HIEDHN CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000521102250 928995209 /nfs/dbraw/zinc/99/52/09/928995209.db2.gz SPKJKOQMCIHMNL-UHFFFAOYSA-N 0 3 405.542 4.060 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000524802524 929835754 /nfs/dbraw/zinc/83/57/54/929835754.db2.gz ADGDFKHCJKNSPB-SFHVURJKSA-N 0 3 417.513 4.048 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000525413440 930226353 /nfs/dbraw/zinc/22/63/53/930226353.db2.gz JWCQYLZZHWRYTR-LJQANCHMSA-N 0 3 406.530 4.474 20 30 HIEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(CN(C)C)c1 ZINC000525494212 930280785 /nfs/dbraw/zinc/28/07/85/930280785.db2.gz KQTRHFPABLMCID-UHFFFAOYSA-N 0 3 405.311 4.478 20 30 HIEDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694824 931156956 /nfs/dbraw/zinc/15/69/56/931156956.db2.gz RLDOCZYLSUEIDK-NXEZZACHSA-N 0 3 404.326 4.177 20 30 HIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000532661657 931573052 /nfs/dbraw/zinc/57/30/52/931573052.db2.gz NHCBEEYMKRTJOY-AWEZNQCLSA-N 0 3 413.319 4.127 20 30 HIEDHN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970898 931719614 /nfs/dbraw/zinc/71/96/14/931719614.db2.gz ACDHSLGBLKLVDJ-MAODMQOUSA-N 0 3 415.603 4.353 20 30 HIEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(Nc3cccc(C)c3)CC2)c(OC)c1 ZINC000533529712 931895428 /nfs/dbraw/zinc/89/54/28/931895428.db2.gz IEMYRGDGWFHVOO-QHCPKHFHSA-N 0 3 410.558 4.048 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1ccccc1 ZINC000534754267 932732071 /nfs/dbraw/zinc/73/20/71/932732071.db2.gz DJKDIOGVYFPIGO-DQEYMECFSA-N 0 3 411.505 4.312 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000535152042 932969760 /nfs/dbraw/zinc/96/97/60/932969760.db2.gz CLTWTQCZXKNRSN-UHFFFAOYSA-N 0 3 405.258 4.238 20 30 HIEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535850051 933432572 /nfs/dbraw/zinc/43/25/72/933432572.db2.gz FDQFWSHRYLLDGF-LJQANCHMSA-N 0 3 408.546 4.408 20 30 HIEDHN COCc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000537383630 933749033 /nfs/dbraw/zinc/74/90/33/933749033.db2.gz NYNQKTCJHCOVNE-AWEZNQCLSA-N 0 3 423.379 4.118 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304752 938837652 /nfs/dbraw/zinc/83/76/52/938837652.db2.gz WBBJOXVKYGMZJJ-LLJLJFOGSA-N 0 3 411.521 4.498 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491356 938867893 /nfs/dbraw/zinc/86/78/93/938867893.db2.gz QJZISTWVXJNPPC-ZHRRBRCNSA-N 0 3 412.555 4.163 20 30 HIEDHN N#Cc1csc(C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)c1 ZINC000540025580 939042295 /nfs/dbraw/zinc/04/22/95/939042295.db2.gz XYDBDPHGQIASPE-UHFFFAOYSA-N 0 3 416.550 4.237 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024837 939433636 /nfs/dbraw/zinc/43/36/36/939433636.db2.gz SFCSCGOQFKZTOW-ROUUACIJSA-N 0 3 408.571 4.496 20 30 HIEDHN C[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541175843 939484333 /nfs/dbraw/zinc/48/43/33/939484333.db2.gz GMZUXLAWSPYHBM-IRXDYDNUSA-N 0 3 405.523 4.284 20 30 HIEDHN CC[C@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1c(C)noc1C ZINC000542579389 939845731 /nfs/dbraw/zinc/84/57/31/939845731.db2.gz XMBWPQXBIHBXLL-FQEVSTJZSA-N 0 3 423.517 4.292 20 30 HIEDHN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869891 940217597 /nfs/dbraw/zinc/21/75/97/940217597.db2.gz HLBCVPITINEMJB-GKVQRAMASA-N 0 3 403.526 4.046 20 30 HIEDHN CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000549541980 941198776 /nfs/dbraw/zinc/19/87/76/941198776.db2.gz JIMWLLZMSSEUBJ-BEFAXECRSA-N 0 3 416.447 4.270 20 30 HIEDHN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000550292261 941310246 /nfs/dbraw/zinc/31/02/46/941310246.db2.gz UDCVAVXDNMIZMP-MBSDFSHPSA-N 0 3 409.505 4.350 20 30 HIEDHN C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1OC ZINC000551086524 941406801 /nfs/dbraw/zinc/40/68/01/941406801.db2.gz SENMNCFMONSTSF-QFIPXVFZSA-N 0 3 423.557 4.038 20 30 HIEDHN Cc1c(CN2CCSCC2)cccc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000552289750 941623402 /nfs/dbraw/zinc/62/34/02/941623402.db2.gz JCABPHYQYXFTNI-UHFFFAOYSA-N 0 3 406.599 4.496 20 30 HIEDHN C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](c1ccccc1)N(C)C ZINC000554072966 942029597 /nfs/dbraw/zinc/02/95/97/942029597.db2.gz HORASRRYYTUVBD-HRAATJIYSA-N 0 3 419.554 4.418 20 30 HIEDHN C[C@@H]1CCc2c(sc3nc(CCN(Cc4ccc(C#N)cc4)C4CC4)nc(N)c23)C1 ZINC000554351349 942110728 /nfs/dbraw/zinc/11/07/28/942110728.db2.gz DVVSMTQDPXILEJ-OAHLLOKOSA-N 0 3 417.582 4.477 20 30 HIEDHN CCOC(=O)C1CCC(N(CC)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000558744319 943638045 /nfs/dbraw/zinc/63/80/45/943638045.db2.gz PUHMBMGJWMVLNI-UHFFFAOYSA-N 0 3 419.953 4.030 20 30 HIEDHN N#Cc1cc(Br)ccc1CNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000559289572 943891111 /nfs/dbraw/zinc/89/11/11/943891111.db2.gz LYVZFRNSZMEVLW-UHFFFAOYSA-N 0 3 403.295 4.341 20 30 HIEDHN C[C@H](c1ccccc1F)N1CCC[C@@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000559323494 943896551 /nfs/dbraw/zinc/89/65/51/943896551.db2.gz JWXGHALFZRIEED-WZONZLPQSA-N 0 3 409.505 4.350 20 30 HIEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000560181236 944189439 /nfs/dbraw/zinc/18/94/39/944189439.db2.gz WWZVJSZZCWZFQE-CTNGQTDRSA-N 0 3 417.347 4.053 20 30 HIEDHN N#CCc1ccc(OC[C@@H](O)CN[C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160556 944489739 /nfs/dbraw/zinc/48/97/39/944489739.db2.gz IONKOOFFFZMGAV-OFVILXPXSA-N 0 3 404.485 4.205 20 30 HIEDHN C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000562024739 944899857 /nfs/dbraw/zinc/89/98/57/944899857.db2.gz MXHIRFIOYYXSBE-PGRDOPGGSA-N 0 3 417.557 4.430 20 30 HIEDHN C[C@@H]1CN(Cc2ccc(CNCc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000564416079 945568636 /nfs/dbraw/zinc/56/86/36/945568636.db2.gz XFLWSTNJXZWRTP-IAGOWNOFSA-N 0 3 417.475 4.476 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccco1 ZINC000565382789 945821426 /nfs/dbraw/zinc/82/14/26/945821426.db2.gz WEGXEXBYQDAGQK-OXJNMPFZSA-N 0 3 404.470 4.198 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000566708109 946079190 /nfs/dbraw/zinc/07/91/90/946079190.db2.gz JSZGUGFPLMVKHU-UHFFFAOYSA-N 0 3 411.575 4.224 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(F)cc3OC3CCOCC3)CC2)cc1 ZINC000567069107 946231743 /nfs/dbraw/zinc/23/17/43/946231743.db2.gz TWHGLSSGRZJKFU-UHFFFAOYSA-N 0 3 409.505 4.332 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000567087316 946238555 /nfs/dbraw/zinc/23/85/55/946238555.db2.gz PRGWEEZOPXCZDR-WIYYLYMNSA-N 0 3 413.587 4.251 20 30 HIEDHN COc1ccc(C[C@H]2CCCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812555 946710532 /nfs/dbraw/zinc/71/05/32/946710532.db2.gz REQMPKALTXUEFK-RBBKRZOGSA-N 0 3 405.542 4.285 20 30 HIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986780 947826187 /nfs/dbraw/zinc/82/61/87/947826187.db2.gz QOIJYLWPKQSBNC-VKFKNLQPSA-N 0 3 423.532 4.402 20 30 HIEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164725335 720490691 /nfs/dbraw/zinc/49/06/91/720490691.db2.gz JUHUNRYJKBQUOB-UXHICEINSA-N 0 3 421.907 4.456 20 30 HIEDHN Cc1c(Cl)c(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900528 721520427 /nfs/dbraw/zinc/52/04/27/721520427.db2.gz RVZVPCAJPAXLPE-GOEBONIOSA-N 0 3 421.303 4.050 20 30 HIEDHN Cc1cc(C(=O)CON=C(N)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1nccs1 ZINC000022184958 846541744 /nfs/dbraw/zinc/54/17/44/846541744.db2.gz JOVJYFZORLSWER-UHFFFAOYSA-N 0 3 412.559 4.239 20 30 HIEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000026311728 847122862 /nfs/dbraw/zinc/12/28/62/847122862.db2.gz YBCPAJCTVPHYHJ-SFHVURJKSA-N 0 3 402.560 4.133 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000045154976 848640765 /nfs/dbraw/zinc/64/07/65/848640765.db2.gz MEQHQDHONNEYKK-QHCPKHFHSA-N 0 3 402.498 4.014 20 30 HIEDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000054299396 849841891 /nfs/dbraw/zinc/84/18/91/849841891.db2.gz JWGPVMGBDXYKAM-UHFFFAOYSA-N 0 3 409.917 4.444 20 30 HIEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000056904856 850514650 /nfs/dbraw/zinc/51/46/50/850514650.db2.gz FMJIPVBUWRCAAG-GOSISDBHSA-N 0 3 404.514 4.447 20 30 HIEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000058451632 850828717 /nfs/dbraw/zinc/82/87/17/850828717.db2.gz HZZMDWMNGCTTIC-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1Cl ZINC000060269443 851056966 /nfs/dbraw/zinc/05/69/66/851056966.db2.gz WEOWKMWTHDYPEA-HXUWFJFHSA-N 0 3 415.896 4.361 20 30 HIEDHN C=CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000061116020 851297424 /nfs/dbraw/zinc/29/74/24/851297424.db2.gz MZGKINQUBDSDPX-UHFFFAOYSA-N 0 3 424.614 4.385 20 30 HIEDHN CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000062410884 851545859 /nfs/dbraw/zinc/54/58/59/851545859.db2.gz HPXOCHQOXFMALD-UHFFFAOYSA-N 0 3 400.910 4.206 20 30 HIEDHN COCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000063753964 851756199 /nfs/dbraw/zinc/75/61/99/851756199.db2.gz BBIGXNDKNSYWIN-UHFFFAOYSA-N 0 3 406.313 4.342 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237098 851855524 /nfs/dbraw/zinc/85/55/24/851855524.db2.gz QSOUXGBLGFUOOR-DEOSSOPVSA-N 0 3 402.542 4.401 20 30 HIEDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1OCCCC#N ZINC000064614386 851940753 /nfs/dbraw/zinc/94/07/53/851940753.db2.gz JFDMHONGGJCHPZ-SFHVURJKSA-N 0 3 407.514 4.355 20 30 HIEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000065416752 852125716 /nfs/dbraw/zinc/12/57/16/852125716.db2.gz GWEXFEKJQFXKES-HSZRJFAPSA-N 0 3 420.557 4.234 20 30 HIEDHN CCc1ccc([C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 ZINC000065949695 852331353 /nfs/dbraw/zinc/33/13/53/852331353.db2.gz WBAMIZOQLQFYBF-HSZRJFAPSA-N 0 3 401.514 4.232 20 30 HIEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138744879 853395651 /nfs/dbraw/zinc/39/56/51/853395651.db2.gz JTCGSPKIOZLOHR-OAHLLOKOSA-N 0 3 417.227 4.279 20 30 HIEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000140367648 853442405 /nfs/dbraw/zinc/44/24/05/853442405.db2.gz HOUORHPQYPVSSJ-GFCCVEGCSA-N 0 3 417.227 4.279 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195604901 853708763 /nfs/dbraw/zinc/70/87/63/853708763.db2.gz CSZGBSZCHXFXQD-OAQYLSRUSA-N 0 3 415.459 4.021 20 30 HIEDHN N#Cc1ccc(CN2CCCN(CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000215886269 853839311 /nfs/dbraw/zinc/83/93/11/853839311.db2.gz APHCVCMAGQBLCC-UHFFFAOYSA-N 0 3 403.448 4.164 20 30 HIEDHN CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000236992895 853948524 /nfs/dbraw/zinc/94/85/24/853948524.db2.gz DKCCPNBNPQZCMA-IBGZPJMESA-N 0 3 421.541 4.199 20 30 HIEDHN COc1cc(CNCc2cccc(OCCCC#N)c2)cc(Br)c1OC ZINC000237117631 853966779 /nfs/dbraw/zinc/96/67/79/853966779.db2.gz FAHKDROBELUDDX-UHFFFAOYSA-N 0 3 419.319 4.439 20 30 HIEDHN CN(CCC#N)c1ccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000237214003 853984658 /nfs/dbraw/zinc/98/46/58/853984658.db2.gz JNMKYYZPEWWFHN-UHFFFAOYSA-N 0 3 411.553 4.284 20 30 HIEDHN N#Cc1ccc(CN2CCCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000301097355 854295215 /nfs/dbraw/zinc/29/52/15/854295215.db2.gz WQGLBXNERJNMTN-UHFFFAOYSA-N 0 3 420.520 4.276 20 30 HIEDHN N#Cc1ccc(CN2CCCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000301106199 854297470 /nfs/dbraw/zinc/29/74/70/854297470.db2.gz TYIQVTGJBMCRFJ-UHFFFAOYSA-N 0 3 420.520 4.276 20 30 HIEDHN Cc1cc(N[C@H](CN2CCN(C)CC2)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000301180404 854321412 /nfs/dbraw/zinc/32/14/12/854321412.db2.gz ZAJIVQQNKYUXIQ-HSZRJFAPSA-N 0 3 424.552 4.068 20 30 HIEDHN COc1ccc([C@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)N(C)C)cc1OC ZINC000302564969 854586618 /nfs/dbraw/zinc/58/66/18/854586618.db2.gz OFOCXGYIKIFSCV-IBGZPJMESA-N 0 3 408.477 4.286 20 30 HIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000303377084 854898805 /nfs/dbraw/zinc/89/88/05/854898805.db2.gz LQGSIRBTSNIKSL-LJQANCHMSA-N 0 3 414.619 4.217 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000426044790 856069525 /nfs/dbraw/zinc/06/95/25/856069525.db2.gz MTOFOGQWUTXLAX-SFHVURJKSA-N 0 3 416.978 4.424 20 30 HIEDHN N#Cc1ccc(NC(=O)CCN2CCC(c3ncccc3Cl)CC2)cc1Cl ZINC000429222728 857562021 /nfs/dbraw/zinc/56/20/21/857562021.db2.gz SHKAXVRMVYUZEV-UHFFFAOYSA-N 0 3 403.313 4.468 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430577785 858225145 /nfs/dbraw/zinc/22/51/45/858225145.db2.gz VGZQRTRZVLNVSW-IBGZPJMESA-N 0 3 424.358 4.475 20 30 HIEDHN C=CCC[C@@H](N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708901 858274932 /nfs/dbraw/zinc/27/49/32/858274932.db2.gz VIMAZVVHNZYAES-RDTXWAMCSA-N 0 3 423.376 4.455 20 30 HIEDHN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1Cl ZINC000437732544 863061967 /nfs/dbraw/zinc/06/19/67/863061967.db2.gz MSGHVMXBWCAAQM-PZJWPPBQSA-N 0 3 406.917 4.473 20 30 HIEDHN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010763 859476431 /nfs/dbraw/zinc/47/64/31/859476431.db2.gz LRPBXXMFWYHCMY-DHIUTWEWSA-N 0 3 421.541 4.392 20 30 HIEDHN N#CCCC[C@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034284 859491852 /nfs/dbraw/zinc/49/18/52/859491852.db2.gz XWCPZBYABJIYNY-RBBKRZOGSA-N 0 3 404.539 4.373 20 30 HIEDHN CC(C)(C)OCc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433316430 859636224 /nfs/dbraw/zinc/63/62/24/859636224.db2.gz GEHHOYWEDXRGKO-UHFFFAOYSA-N 0 3 403.530 4.464 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(O[C@@H]4CCOC4)cc3)n2)cc1 ZINC000434622086 860435345 /nfs/dbraw/zinc/43/53/45/860435345.db2.gz AIBBWFKRUDVOTN-UXHICEINSA-N 0 3 420.490 4.476 20 30 HIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(Br)cn3C)n2)cc1 ZINC000434623263 860436373 /nfs/dbraw/zinc/43/63/73/860436373.db2.gz KIJCNHCTCPIQRA-AWEZNQCLSA-N 0 3 416.300 4.410 20 30 HIEDHN C=CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000434827439 860510600 /nfs/dbraw/zinc/51/06/00/860510600.db2.gz JZERFQLZKVMFIJ-UHFFFAOYSA-N 0 3 413.905 4.246 20 30 HIEDHN C=CCOc1ccccc1C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435294566 860723952 /nfs/dbraw/zinc/72/39/52/860723952.db2.gz KNKKGPCSNPZHRF-NRFANRHFSA-N 0 3 416.525 4.456 20 30 HIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000437847385 863203068 /nfs/dbraw/zinc/20/30/68/863203068.db2.gz ZDRRFPJLZFQCBG-LJQANCHMSA-N 0 3 406.530 4.474 20 30 HIEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000439003924 864458682 /nfs/dbraw/zinc/45/86/82/864458682.db2.gz ONSKBDHFMYHNDN-PVERMEFCSA-N 0 3 411.590 4.202 20 30 HIEDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C#N)cc2Cl)CC1 ZINC000439458774 864839079 /nfs/dbraw/zinc/83/90/79/864839079.db2.gz ULKGJUDPWFQGKK-MRXNPFEDSA-N 0 3 400.929 4.343 20 30 HIEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000441402883 866476941 /nfs/dbraw/zinc/47/69/41/866476941.db2.gz HZKOCTGHHXKBMX-SFHVURJKSA-N 0 3 402.947 4.208 20 30 HIEDHN CC(C)(C)Cc1nc(-c2cccc(C(=O)C(C#N)c3nnc4n3CCCCC4)c2)no1 ZINC000442672675 867606477 /nfs/dbraw/zinc/60/64/77/867606477.db2.gz OTEMHEXLKRWAGY-KRWDZBQOSA-N 0 3 418.501 4.133 20 30 HIEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651619 868244760 /nfs/dbraw/zinc/24/47/60/868244760.db2.gz FGMWOCFTJAVVJL-QUCCMNQESA-N 0 3 410.489 4.315 20 30 HIEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248074 868694788 /nfs/dbraw/zinc/69/47/88/868694788.db2.gz VWEVALJHIUZIOS-DHIUTWEWSA-N 0 3 413.525 4.259 20 30 HIEDHN CCN1CCN(c2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)CC1 ZINC000444361682 868786873 /nfs/dbraw/zinc/78/68/73/868786873.db2.gz FCRSEQQUBTZZFE-UHFFFAOYSA-N 0 3 415.541 4.339 20 30 HIEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327762 882259805 /nfs/dbraw/zinc/25/98/05/882259805.db2.gz SGFVNMPAOPMVSY-AWEZNQCLSA-N 0 3 400.350 4.053 20 30 HIEDHN CC(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460626396 873368382 /nfs/dbraw/zinc/36/83/82/873368382.db2.gz NICUBHBKWPJXIP-UHFFFAOYSA-N 0 3 408.594 4.107 20 30 HIEDHN C=C(C)Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000460923055 873827020 /nfs/dbraw/zinc/82/70/20/873827020.db2.gz CARZZHMMJNKLJL-UHFFFAOYSA-N 0 3 412.541 4.105 20 30 HIEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462237497 875350425 /nfs/dbraw/zinc/35/04/25/875350425.db2.gz LODOMZQGYXRXRR-AUSIDOKSSA-N 0 3 413.525 4.252 20 30 HIEDHN C=CCOc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000462744723 875814041 /nfs/dbraw/zinc/81/40/41/875814041.db2.gz ZWABWSLKHMKUFX-HXUWFJFHSA-N 0 3 402.441 4.138 20 30 HIEDHN N#CCCn1cc(CN2CCC(c3noc(C4CC4)n3)CC2)c(-c2ccccc2)n1 ZINC000463055277 876082925 /nfs/dbraw/zinc/08/29/25/876082925.db2.gz NWVCXHGBTUDUIX-UHFFFAOYSA-N 0 3 402.502 4.104 20 30 HIEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000463121007 876163254 /nfs/dbraw/zinc/16/32/54/876163254.db2.gz UWCFESHTYSORIV-AWEZNQCLSA-N 0 3 420.376 4.076 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000463210637 876269729 /nfs/dbraw/zinc/26/97/29/876269729.db2.gz OIKSLFBBGSDDDH-CEMLEFRQSA-N 0 3 417.981 4.301 20 30 HIEDHN N#CC(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464466359 877689218 /nfs/dbraw/zinc/68/92/18/877689218.db2.gz LIFHNFSUEFXRNI-GOSISDBHSA-N 0 3 421.382 4.383 20 30 HIEDHN CC1CCN([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)c2cccs2)CC1 ZINC000465429468 878859963 /nfs/dbraw/zinc/85/99/63/878859963.db2.gz XAOLSPIQMUFCSO-IBGZPJMESA-N 0 3 400.523 4.031 20 30 HIEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000465443614 878874914 /nfs/dbraw/zinc/87/49/14/878874914.db2.gz PBDRVFYJEBZHGT-TZRRMPRUSA-N 0 3 402.542 4.305 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)CC1 ZINC000465859878 879507629 /nfs/dbraw/zinc/50/76/29/879507629.db2.gz MUDXQTBJOIKUDT-UHFFFAOYSA-N 0 3 408.546 4.330 20 30 HIEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000465973319 879640895 /nfs/dbraw/zinc/64/08/95/879640895.db2.gz PRZWRVKSRZOWQT-QHCPKHFHSA-N 0 3 406.574 4.388 20 30 HIEDHN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1OC ZINC000469697100 883876335 /nfs/dbraw/zinc/87/63/35/883876335.db2.gz DFACJCQMFNUKGX-CQSZACIVSA-N 0 3 414.387 4.347 20 30 HIEDHN COc1cc(Br)ccc1[C@@H](C)NCCC(=O)Nc1sccc1C#N ZINC000469739707 883896668 /nfs/dbraw/zinc/89/66/68/883896668.db2.gz OGJIIDIPBZLOGO-LLVKDONJSA-N 0 3 408.321 4.070 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000503984917 912896771 /nfs/dbraw/zinc/89/67/71/912896771.db2.gz GKGPZTOCOVBUIP-FQEVSTJZSA-N 0 3 412.534 4.008 20 30 HIEDHN Cn1cc(CN2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000470926401 885432387 /nfs/dbraw/zinc/43/23/87/885432387.db2.gz PZQRXLPGCJVJJO-QFIPXVFZSA-N 0 3 404.489 4.279 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(Oc3ccccn3)CC1)CCCCC2 ZINC000471157157 885709814 /nfs/dbraw/zinc/70/98/14/885709814.db2.gz OJZLWTNLKPEYHQ-UHFFFAOYSA-N 0 3 424.570 4.156 20 30 HIEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472240385 887048725 /nfs/dbraw/zinc/04/87/25/887048725.db2.gz JVMNRFHCXNUOFX-NRFANRHFSA-N 0 3 414.553 4.334 20 30 HIEDHN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCN(Cc2ccccc2)CC1 ZINC000472248205 887058229 /nfs/dbraw/zinc/05/82/29/887058229.db2.gz BBVVGOORYFPLCX-UHFFFAOYSA-N 0 3 414.553 4.334 20 30 HIEDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)on1 ZINC000472438366 887286741 /nfs/dbraw/zinc/28/67/41/887286741.db2.gz GTULCZMZSLKTKW-HXUWFJFHSA-N 0 3 421.501 4.080 20 30 HIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472469515 887329750 /nfs/dbraw/zinc/32/97/50/887329750.db2.gz WTWYENVRIFRLOH-UHFFFAOYSA-N 0 3 420.479 4.061 20 30 HIEDHN COc1ccccc1[C@H](CC(C)C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000473012781 887840548 /nfs/dbraw/zinc/84/05/48/887840548.db2.gz YTLJFJVXGCSLMI-QHCPKHFHSA-N 0 3 422.573 4.427 20 30 HIEDHN Cc1ccc(C(F)(F)F)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000473062175 887883420 /nfs/dbraw/zinc/88/34/20/887883420.db2.gz XBOOVFJGPMUIIL-UHFFFAOYSA-N 0 3 404.436 4.481 20 30 HIEDHN CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475018655 889871574 /nfs/dbraw/zinc/87/15/74/889871574.db2.gz RQXNYBNMWAUTAA-GOSISDBHSA-N 0 3 414.456 4.288 20 30 HIEDHN C=C(C)COc1cc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)ccc1OC ZINC000475085713 889932368 /nfs/dbraw/zinc/93/23/68/889932368.db2.gz FWKILKDAVGIDOA-OALUTQOASA-N 0 3 419.566 4.151 20 30 HIEDHN CC(C)n1cc2cc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)ccc2n1 ZINC000475811681 890746217 /nfs/dbraw/zinc/74/62/17/890746217.db2.gz LPGIGPMPBHRTCK-UHFFFAOYSA-N 0 3 404.518 4.085 20 30 HIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(-n2ccnc2)cc1C ZINC000475975891 890892903 /nfs/dbraw/zinc/89/29/03/890892903.db2.gz KVDRSMDJOINWRJ-UHFFFAOYSA-N 0 3 422.602 4.279 20 30 HIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000477434150 892386191 /nfs/dbraw/zinc/38/61/91/892386191.db2.gz CNLKRWKINCPPOW-QGZVFWFLSA-N 0 3 409.511 4.003 20 30 HIEDHN C=C(C)[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721991 892826361 /nfs/dbraw/zinc/82/63/61/892826361.db2.gz KBKQSAZGYKLAJI-YVHKJVDXSA-N 0 3 421.532 4.113 20 30 HIEDHN COCCOc1ccc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000477848148 892908339 /nfs/dbraw/zinc/90/83/39/892908339.db2.gz RKEOMSSZRLOLBI-LJQANCHMSA-N 0 3 403.463 4.197 20 30 HIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000478363979 893621824 /nfs/dbraw/zinc/62/18/24/893621824.db2.gz BCVMWGNLZQTSIZ-HNNXBMFYSA-N 0 3 402.901 4.185 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000479280016 894557145 /nfs/dbraw/zinc/55/71/45/894557145.db2.gz JBHCKLBCQXMRMX-XMMPIXPASA-N 0 3 423.605 4.389 20 30 HIEDHN Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481660670 897045350 /nfs/dbraw/zinc/04/53/50/897045350.db2.gz SHIYETZDGOKRDL-UHFFFAOYSA-N 0 3 402.542 4.333 20 30 HIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000481680532 897064314 /nfs/dbraw/zinc/06/43/14/897064314.db2.gz ZLFCWOLUJHDAST-XMMPIXPASA-N 0 3 423.582 4.041 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000484049770 899681660 /nfs/dbraw/zinc/68/16/60/899681660.db2.gz SXMQXEWOIWILMF-OALUTQOASA-N 0 3 410.484 4.000 20 30 HIEDHN N#CC(C(=O)c1cccc(N2CCCNC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000484544829 900026874 /nfs/dbraw/zinc/02/68/74/900026874.db2.gz LVSOVFDRVJJPNH-GOSISDBHSA-N 0 3 402.479 4.220 20 30 HIEDHN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NCC(=O)Nc2sccc2C#N)cc1 ZINC000484635600 900084559 /nfs/dbraw/zinc/08/45/59/900084559.db2.gz IULSEQZYOQZCPM-VQTJNVASSA-N 0 3 413.543 4.327 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000484719470 900150530 /nfs/dbraw/zinc/15/05/30/900150530.db2.gz NKKWSNUJWMLORB-NFBKMPQASA-N 0 3 409.578 4.387 20 30 HIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330725 900615435 /nfs/dbraw/zinc/61/54/35/900615435.db2.gz LKTFUJGHSGNYGI-FOIQADDNSA-N 0 3 417.431 4.346 20 30 HIEDHN Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n2c3ccccc3nc2c1C#N ZINC000486005457 901219326 /nfs/dbraw/zinc/21/93/26/901219326.db2.gz KZKPPVJODGIAJW-CYFREDJKSA-N 0 3 410.525 4.192 20 30 HIEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000486032185 901236599 /nfs/dbraw/zinc/23/65/99/901236599.db2.gz XDDRMOCYXAEUFF-QGZVFWFLSA-N 0 3 409.603 4.290 20 30 HIEDHN N#Cc1ccc(CN2CCCN(Cc3cncc(OCc4ccccc4)c3)CC2)cc1 ZINC000486805489 901864738 /nfs/dbraw/zinc/86/47/38/901864738.db2.gz VSAVOLLAQACZDF-UHFFFAOYSA-N 0 3 412.537 4.240 20 30 HIEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4cccc(F)c4)s3)C2=O)cc1 ZINC000486900246 901944337 /nfs/dbraw/zinc/94/43/37/901944337.db2.gz JBIHNBHPLNXECC-OAQYLSRUSA-N 0 3 405.498 4.317 20 30 HIEDHN C=CCN1CCC(NC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000488933357 903084629 /nfs/dbraw/zinc/08/46/29/903084629.db2.gz BKXYOMLMTBUXNG-IBGZPJMESA-N 0 3 424.358 4.379 20 30 HIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000492076864 904789947 /nfs/dbraw/zinc/78/99/47/904789947.db2.gz BHLCEMWRDMSYED-NFBKMPQASA-N 0 3 404.514 4.004 20 30 HIEDHN C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1Cc1ccccc1 ZINC000494069308 905405764 /nfs/dbraw/zinc/40/57/64/905405764.db2.gz ODYHUHNDMAIUMH-JPYJTQIMSA-N 0 3 412.493 4.138 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494447423 905730662 /nfs/dbraw/zinc/73/06/62/905730662.db2.gz ZJZSLYMXXDWOTB-CWFSZBLJSA-N 0 3 404.963 4.424 20 30 HIEDHN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489195 905773030 /nfs/dbraw/zinc/77/30/30/905773030.db2.gz CGVDJHRKVOJTQH-IWMITWMQSA-N 0 3 415.896 4.234 20 30 HIEDHN N#Cc1cscc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000497398735 906880485 /nfs/dbraw/zinc/88/04/85/906880485.db2.gz IYOXJYDMUXDFFQ-UHFFFAOYSA-N 0 3 416.550 4.237 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc2ccccc2c1 ZINC000497884427 907358169 /nfs/dbraw/zinc/35/81/69/907358169.db2.gz QVGPNKNEMUNNLE-UHFFFAOYSA-N 0 3 401.510 4.071 20 30 HIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000499051253 908424094 /nfs/dbraw/zinc/42/40/94/908424094.db2.gz CFUVVEGYGVIFIX-UHFFFAOYSA-N 0 3 408.502 4.025 20 30 HIEDHN N#CC(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 ZINC000512973794 921447532 /nfs/dbraw/zinc/44/75/32/921447532.db2.gz BQWJJHQJPOZVDY-MOPGFXCFSA-N 0 3 405.479 4.253 20 30 HIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000501401797 910530720 /nfs/dbraw/zinc/53/07/20/910530720.db2.gz XJQNEWZNGKDVEA-XMMPIXPASA-N 0 3 404.558 4.317 20 30 HIEDHN CCN(CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000502528414 911531825 /nfs/dbraw/zinc/53/18/25/911531825.db2.gz BOBOPHIYKZEVTC-FQEVSTJZSA-N 0 3 419.447 4.155 20 30 HIEDHN CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000506889443 915684318 /nfs/dbraw/zinc/68/43/18/915684318.db2.gz NUMMRZYXTBMSJI-LJQANCHMSA-N 0 3 422.598 4.129 20 30 HIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000507009221 915819857 /nfs/dbraw/zinc/81/98/57/915819857.db2.gz VNBPRFNYQSWFGB-UHFFFAOYSA-N 0 3 422.863 4.409 20 30 HIEDHN N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC000509373840 918039023 /nfs/dbraw/zinc/03/90/23/918039023.db2.gz RCLAVCOCQFSABY-NRFANRHFSA-N 0 3 424.570 4.010 20 30 HIEDHN N#CCCn1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccccc2)n1 ZINC000510532904 918978865 /nfs/dbraw/zinc/97/88/65/918978865.db2.gz IJHDSJBJIORNPR-UHFFFAOYSA-N 0 3 411.509 4.379 20 30 HIEDHN C[C@H](N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603704 920250780 /nfs/dbraw/zinc/25/07/80/920250780.db2.gz IIHPVBQWNHKQAT-KBXCAEBGSA-N 0 3 409.452 4.357 20 30 HIEDHN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000514830883 922818726 /nfs/dbraw/zinc/81/87/26/922818726.db2.gz GTPHZCKCWHKEMJ-FQEVSTJZSA-N 0 3 409.578 4.148 20 30 HIEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 ZINC000517982613 926927621 /nfs/dbraw/zinc/92/76/21/926927621.db2.gz VGEJDGGWLKQJIX-UHFFFAOYSA-N 0 3 409.578 4.142 20 30 HIEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000519271040 927857331 /nfs/dbraw/zinc/85/73/31/927857331.db2.gz ISADNIHRMUELIY-UHFFFAOYSA-N 0 3 400.526 4.228 20 30 HIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000520892368 928862730 /nfs/dbraw/zinc/86/27/30/928862730.db2.gz BHFPXZDVNHJXFA-UHFFFAOYSA-N 0 3 423.520 4.455 20 30 HIEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520952234 928887856 /nfs/dbraw/zinc/88/78/56/928887856.db2.gz GVCUTDBVDMYYRO-LJQANCHMSA-N 0 3 418.434 4.224 20 30 HIEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000521594555 929317264 /nfs/dbraw/zinc/31/72/64/929317264.db2.gz JWTUFWIJGHUEBD-SGAUDOEVSA-N 0 3 401.554 4.233 20 30 HIEDHN CC(C)CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CCN(C)CC1 ZINC000524544364 929675145 /nfs/dbraw/zinc/67/51/45/929675145.db2.gz RNYOKDGKCYYLFF-UHFFFAOYSA-N 0 3 405.542 4.330 20 30 HIEDHN N#Cc1nnc2ccccc2c1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000525359238 930194686 /nfs/dbraw/zinc/19/46/86/930194686.db2.gz WTKCGWXJCFKULI-UHFFFAOYSA-N 0 3 411.431 4.233 20 30 HIEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(CC3CCCCC3)CC2)ccc1Cl ZINC000531840915 931216052 /nfs/dbraw/zinc/21/60/52/931216052.db2.gz CDDQORKXCVXOFA-UHFFFAOYSA-N 0 3 416.997 4.093 20 30 HIEDHN N#Cc1c2c(sc1NC(=O)CCN1CC=C(c3c[nH]c4ncccc34)CC1)CCC2 ZINC000533344208 931843921 /nfs/dbraw/zinc/84/39/21/931843921.db2.gz SUESHSHLBVRFQF-UHFFFAOYSA-N 0 3 417.538 4.103 20 30 HIEDHN CN1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000534757093 932733676 /nfs/dbraw/zinc/73/36/76/932733676.db2.gz UDYZEZACAXYKQI-ZCYQVOJMSA-N 0 3 411.505 4.312 20 30 HIEDHN C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000563316875 945177957 /nfs/dbraw/zinc/17/79/57/945177957.db2.gz ZHCOGHMPADKSKQ-AUUYWEPGSA-N 0 3 420.435 4.312 20 30 HIEDHN CCN1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 ZINC000538023803 938468518 /nfs/dbraw/zinc/46/85/18/938468518.db2.gz MLCXJIORFBDSJM-UHFFFAOYSA-N 0 3 412.921 4.350 20 30 HIEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccc(Cl)cc1 ZINC000538128156 938513277 /nfs/dbraw/zinc/51/32/77/938513277.db2.gz JDGBSQPREQMBSR-FQEVSTJZSA-N 0 3 416.953 4.346 20 30 HIEDHN CCOc1ccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)C(C)C)cc1OCC ZINC000538141947 938519159 /nfs/dbraw/zinc/51/91/59/938519159.db2.gz TYIXFFPFDLSOCB-QFIPXVFZSA-N 0 3 401.551 4.113 20 30 HIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176514 938537773 /nfs/dbraw/zinc/53/77/73/938537773.db2.gz TWESIHHFWBYJPA-APWZRJJASA-N 0 3 400.544 4.163 20 30 HIEDHN N#Cc1c(NC(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)sc2c1CCCCC2 ZINC000538186579 938543135 /nfs/dbraw/zinc/54/31/35/938543135.db2.gz SXONFWQLDLZETJ-HTAPYJJXSA-N 0 3 409.555 4.195 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000539102103 938803239 /nfs/dbraw/zinc/80/32/39/938803239.db2.gz HCWAYGTXPKTLMB-XMMPIXPASA-N 0 3 410.521 4.149 20 30 HIEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304753 938837733 /nfs/dbraw/zinc/83/77/33/938837733.db2.gz WBBJOXVKYGMZJJ-NXMSCROESA-N 0 3 411.521 4.498 20 30 HIEDHN C=CCOc1c(Br)cc(CN2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000539669350 938897818 /nfs/dbraw/zinc/89/78/18/938897818.db2.gz QHBBFAQHHAMHFT-GOSISDBHSA-N 0 3 410.352 4.414 20 30 HIEDHN N#Cc1ccc(CN2CCC(N[C@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 ZINC000540607571 939318251 /nfs/dbraw/zinc/31/82/51/939318251.db2.gz DVFWLSMMVDXZEC-RUZDIDTESA-N 0 3 400.501 4.436 20 30 HIEDHN C[C@@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541175842 939484371 /nfs/dbraw/zinc/48/43/71/939484371.db2.gz GMZUXLAWSPYHBM-IAGOWNOFSA-N 0 3 405.523 4.284 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(OCC(F)(F)C(F)F)nc3)CC2)cc1 ZINC000541908916 939651695 /nfs/dbraw/zinc/65/16/95/939651695.db2.gz RBSUSNGPTFAMKE-UHFFFAOYSA-N 0 3 422.426 4.309 20 30 HIEDHN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934046 939881366 /nfs/dbraw/zinc/88/13/66/939881366.db2.gz GVAKHDGJDZHAAP-QRWLVFNGSA-N 0 3 401.432 4.429 20 30 HIEDHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000543074159 939925827 /nfs/dbraw/zinc/92/58/27/939925827.db2.gz MBCDAALDPNKOHF-JTSKRJEESA-N 0 3 404.514 4.387 20 30 HIEDHN N#Cc1ccccc1-c1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000563783196 945301258 /nfs/dbraw/zinc/30/12/58/945301258.db2.gz UVEOHKIIJVUSBA-XMMPIXPASA-N 0 3 417.534 4.040 20 30 HIEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000544125636 940332817 /nfs/dbraw/zinc/33/28/17/940332817.db2.gz NIVLEVWTTRNYFU-VPHKFGTKSA-N 0 3 405.542 4.234 20 30 HIEDHN CSc1c(F)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000544275623 940376830 /nfs/dbraw/zinc/37/68/30/940376830.db2.gz QQHZYCVAHXIBGV-UHFFFAOYSA-N 0 3 404.486 4.154 20 30 HIEDHN CCCc1c(NC2CCN(Cc3ccc(C#N)cc3)CC2)cnn1-c1cc(C)ccn1 ZINC000544942468 940526693 /nfs/dbraw/zinc/52/66/93/940526693.db2.gz XWJPNAVCFKMYQZ-UHFFFAOYSA-N 0 3 414.557 4.476 20 30 HIEDHN N#CC(C(=O)c1cc(F)c(Br)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000552070955 941579179 /nfs/dbraw/zinc/57/91/79/941579179.db2.gz KFXOQNIYZWTHNU-SNVBAGLBSA-N 0 3 411.662 4.050 20 30 HIEDHN C=CCc1ccc(OC[C@H](O)CN[C@@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497259 941688739 /nfs/dbraw/zinc/68/87/39/941688739.db2.gz BDVVRXZKYBYUCK-IEBWSBKVSA-N 0 3 403.519 4.129 20 30 HIEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000553409554 941880499 /nfs/dbraw/zinc/88/04/99/941880499.db2.gz COPWJUYMPQXTJP-FQEVSTJZSA-N 0 3 420.557 4.283 20 30 HIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000554216446 942070655 /nfs/dbraw/zinc/07/06/55/942070655.db2.gz GYAYPFZTSYCHRE-QHCPKHFHSA-N 0 3 411.594 4.417 20 30 HIEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555131389 942396527 /nfs/dbraw/zinc/39/65/27/942396527.db2.gz MUUFDPQOSJNXJK-DWLFOUALSA-N 0 3 422.976 4.037 20 30 HIEDHN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC000555273465 942458573 /nfs/dbraw/zinc/45/85/73/942458573.db2.gz XOKKGMIJWCXMQG-GOSISDBHSA-N 0 3 413.541 4.198 20 30 HIEDHN N#CCCn1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000555366321 942497218 /nfs/dbraw/zinc/49/72/18/942497218.db2.gz XSIITZKZPQXUKR-UHFFFAOYSA-N 0 3 423.524 4.209 20 30 HIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556104751 942806016 /nfs/dbraw/zinc/80/60/16/942806016.db2.gz KAILZSUGNCOZOT-DENIHFKCSA-N 0 3 417.525 4.216 20 30 HIEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1cccc(Cl)c1 ZINC000556336500 942844105 /nfs/dbraw/zinc/84/41/05/942844105.db2.gz NEKCZLKSPGJMHG-UHFFFAOYSA-N 0 3 420.026 4.293 20 30 HIEDHN CCN1CC[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558902099 943736289 /nfs/dbraw/zinc/73/62/89/943736289.db2.gz MGEALVDNMSQOIY-WVFSVQOHSA-N 0 3 414.912 4.103 20 30 HIEDHN N#CCCn1cc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000560611795 944273298 /nfs/dbraw/zinc/27/32/98/944273298.db2.gz IQSYGZUBRDQZEZ-NRFANRHFSA-N 0 3 407.905 4.165 20 30 HIEDHN CC(C)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000564623021 945712692 /nfs/dbraw/zinc/71/26/92/945712692.db2.gz UUGQOGPKHBAJJZ-UHFFFAOYSA-N 0 3 406.578 4.176 20 30 HIEDHN CC[C@@H](C)N[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265027 945796433 /nfs/dbraw/zinc/79/64/33/945796433.db2.gz NGGRVWOTLUFTCN-UZLBHIALSA-N 0 3 407.470 4.182 20 30 HIEDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402321 946868487 /nfs/dbraw/zinc/86/84/87/946868487.db2.gz UWQZMYMGRIKAEI-OXJNMPFZSA-N 0 3 407.470 4.182 20 30 HIEDHN Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2c3ccccc3CC23CCOCC3)c1C ZINC000571604717 947727019 /nfs/dbraw/zinc/72/70/19/947727019.db2.gz JFWJQWZVTVJBQB-RUZDIDTESA-N 0 3 417.553 4.234 20 30 HIEDHN N#Cc1ccc(CN2CCC(Nc3ccc4nccnc4c3Br)CC2)cc1 ZINC000572625627 947960478 /nfs/dbraw/zinc/96/04/78/947960478.db2.gz QGDADMWBPSBJPY-UHFFFAOYSA-N 0 3 422.330 4.340 20 30 HIEDHN CC1CCN([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)c2cccs2)CC1 ZINC000574594559 948486376 /nfs/dbraw/zinc/48/63/76/948486376.db2.gz RWOJYOAQSKJMEG-HXUWFJFHSA-N 0 3 408.571 4.381 20 30 HIEDHN CC(C)Oc1ccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)N(C)C)cc1 ZINC000575475194 948670990 /nfs/dbraw/zinc/67/09/90/948670990.db2.gz VNXMKCRLEXWZIL-QFIPXVFZSA-N 0 3 411.521 4.181 20 30 HIEDHN