smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000442669389 335002527 /nfs/dbraw/zinc/00/25/27/335002527.db2.gz AYRMPEHNJQYXEC-WMZOPIPTSA-N 0 3 322.477 4.733 20 30 DJEDHN C=C(C)COc1cc(CN[C@@H](C)c2cccs2)ccc1OC ZINC000060926930 335005237 /nfs/dbraw/zinc/00/52/37/335005237.db2.gz BCPHWZGHKYRLGA-AWEZNQCLSA-N 0 3 317.454 4.562 20 30 DJEDHN N#CC1(c2ccccc2)CCN(CCCCc2ccccc2)CC1 ZINC000040952771 183150918 /nfs/dbraw/zinc/15/09/18/183150918.db2.gz IJFBHUIFPTXRGV-UHFFFAOYSA-N 0 3 318.464 4.567 20 30 DJEDHN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000121444287 132155987 /nfs/dbraw/zinc/15/59/87/132155987.db2.gz UOCZJQZYHIEOJL-CHWSQXEVSA-N 0 3 316.351 4.571 20 30 DJEDHN C=CCC[C@@H](N[C@@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950191 331564942 /nfs/dbraw/zinc/56/49/42/331564942.db2.gz MAQMSDFKNSDCKL-WOJBJXKFSA-N 0 3 307.437 4.980 20 30 DJEDHN C=CCC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000537950248 331565629 /nfs/dbraw/zinc/56/56/29/331565629.db2.gz NYWZHQKGXXJJAA-DNVCBOLYSA-N 0 3 310.397 4.953 20 30 DJEDHN CC(C)(C#N)c1ccccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000557539793 331798759 /nfs/dbraw/zinc/79/87/59/331798759.db2.gz RXXNDGXCNMQMMK-UHFFFAOYSA-N 0 3 324.855 4.920 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000410321203 332111925 /nfs/dbraw/zinc/11/19/25/332111925.db2.gz YZPMYMNIRRCEGL-UHFFFAOYSA-N 0 3 315.420 4.519 20 30 DJEDHN CCOc1ccc(C2=CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000091813572 332112620 /nfs/dbraw/zinc/11/26/20/332112620.db2.gz KLGGTQNMLGYZSQ-UHFFFAOYSA-N 0 3 312.457 4.504 20 30 DJEDHN COc1cc(C)ccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000569558604 332138510 /nfs/dbraw/zinc/13/85/10/332138510.db2.gz ZMKYNNXDJUPVBF-YWZLYKJASA-N 0 3 320.436 4.604 20 30 DJEDHN CC(C)(C#N)CCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000536472923 332250204 /nfs/dbraw/zinc/25/02/04/332250204.db2.gz VBUPMQPFNBXLAM-UHFFFAOYSA-N 0 3 310.363 4.610 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2ccccc2s1 ZINC000559879203 332288958 /nfs/dbraw/zinc/28/89/58/332288958.db2.gz ZQMAXLDNJUDCIN-LJQANCHMSA-N 0 3 318.445 4.940 20 30 DJEDHN C[C@H](NCc1ccc(OC2CCCC2)cc1)c1cccc(C#N)c1 ZINC000559954459 332296808 /nfs/dbraw/zinc/29/68/08/332296808.db2.gz FTTCCLUQHIEZBO-INIZCTEOSA-N 0 3 320.436 4.730 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN1CCC(CC(F)(F)F)CC1 ZINC000560168985 332316487 /nfs/dbraw/zinc/31/64/87/332316487.db2.gz XZGFQJOUQRQUDI-UHFFFAOYSA-N 0 3 324.390 4.652 20 30 DJEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000560260696 332324896 /nfs/dbraw/zinc/32/48/96/332324896.db2.gz XRCQNBGBGWDYKV-SFHVURJKSA-N 0 3 310.828 4.942 20 30 DJEDHN CC(C)(C#N)CCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000157308663 332514909 /nfs/dbraw/zinc/51/49/09/332514909.db2.gz VBUOEQQQYIBROB-UHFFFAOYSA-N 0 3 320.864 4.513 20 30 DJEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000151395470 332576043 /nfs/dbraw/zinc/57/60/43/332576043.db2.gz LKVXBUKDVYYWJW-LLVKDONJSA-N 0 3 305.208 4.716 20 30 DJEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000182421131 333040256 /nfs/dbraw/zinc/04/02/56/333040256.db2.gz FVHPJIPYLXFQHU-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000182587730 333042995 /nfs/dbraw/zinc/04/29/95/333042995.db2.gz PPTKFDMBCCGSCZ-QGZVFWFLSA-N 0 3 302.780 4.592 20 30 DJEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(SC)cc2)cc1 ZINC000378887502 333060042 /nfs/dbraw/zinc/06/00/42/333060042.db2.gz JCZFCPIEFRRRPU-OAHLLOKOSA-N 0 3 313.466 4.824 20 30 DJEDHN C[C@@H](c1nc2ccccc2s1)N(C)CCCC(C)(C)C#N ZINC000174811272 333090897 /nfs/dbraw/zinc/09/08/97/333090897.db2.gz RDYZFYYQTIPIEX-ZDUSSCGKSA-N 0 3 301.459 4.619 20 30 DJEDHN CCN(Cc1cccc(F)c1)Cc1ccccc1C(C)(C)C#N ZINC000487377997 333131021 /nfs/dbraw/zinc/13/10/21/333131021.db2.gz NKOAFUWAZRHUHP-UHFFFAOYSA-N 0 3 310.416 4.649 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541106 333162887 /nfs/dbraw/zinc/16/28/87/333162887.db2.gz HDXQMASGJWAJAX-CKJXQJPGSA-N 0 3 320.436 4.878 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000182089984 333175512 /nfs/dbraw/zinc/17/55/12/333175512.db2.gz FERZNLYKXKZVNU-VWKPWSFCSA-N 0 3 320.436 4.563 20 30 DJEDHN CCN(Cc1cccc(OC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497599901 333267782 /nfs/dbraw/zinc/26/77/82/333267782.db2.gz NHSDXFLYUPBOJP-QGZVFWFLSA-N 0 3 322.452 4.929 20 30 DJEDHN CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000571129177 333666308 /nfs/dbraw/zinc/66/63/08/333666308.db2.gz GQLLBSPCNVNGAR-PMACEKPBSA-N 0 3 308.400 4.672 20 30 DJEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NCCC(C)(C)C#N ZINC000273301346 334045130 /nfs/dbraw/zinc/04/51/30/334045130.db2.gz NCZXYSPGYSATLR-ZDUSSCGKSA-N 0 3 313.470 4.709 20 30 DJEDHN C[C@H](NCc1ccc(C2CCC2)cc1)c1ccc(OCC#N)cc1 ZINC000277184019 334086825 /nfs/dbraw/zinc/08/68/25/334086825.db2.gz ICZXTQBWHNPXEJ-INIZCTEOSA-N 0 3 320.436 4.707 20 30 DJEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160115 334156442 /nfs/dbraw/zinc/15/64/42/334156442.db2.gz BRUJTVYSBZTNON-LZLYRXPVSA-N 0 3 321.424 4.607 20 30 DJEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160110 334156450 /nfs/dbraw/zinc/15/64/50/334156450.db2.gz BRUJTVYSBZTNON-JZXOWHBKSA-N 0 3 321.424 4.607 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1coc2ccccc12 ZINC000340423517 334197524 /nfs/dbraw/zinc/19/75/24/334197524.db2.gz DUCDZGQFVYCPBT-HXUWFJFHSA-N 0 3 316.404 4.862 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431004 334198441 /nfs/dbraw/zinc/19/84/41/334198441.db2.gz BIUYFQHVEFLCRE-JXFKEZNVSA-N 0 3 303.409 4.644 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444206 334202922 /nfs/dbraw/zinc/20/29/22/334202922.db2.gz GYCHNAAPBKVEMI-KXBFYZLASA-N 0 3 323.396 4.681 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445191 334203814 /nfs/dbraw/zinc/20/38/14/334203814.db2.gz LVGWQDJSAYKGQS-IERDGZPVSA-N 0 3 320.436 4.803 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445193 334203840 /nfs/dbraw/zinc/20/38/40/334203840.db2.gz LVGWQDJSAYKGQS-IIBYNOLFSA-N 0 3 320.436 4.803 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340458006 334207553 /nfs/dbraw/zinc/20/75/53/334207553.db2.gz XEWVUTHPNAHOSL-YLJYHZDGSA-N 0 3 321.468 4.838 20 30 DJEDHN N#CCC[C@@H](NC1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000341355993 334440301 /nfs/dbraw/zinc/44/03/01/334440301.db2.gz QSWWOINXGBRYAH-LYBXBRPPSA-N 0 3 308.400 4.706 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000341760830 334478346 /nfs/dbraw/zinc/47/83/46/334478346.db2.gz MTCVUCOACGAFAZ-NHCUHLMSSA-N 0 3 320.436 4.685 20 30 DJEDHN Cc1ccc(OC2CCN(CCCCC(C)(C)C#N)CC2)cc1 ZINC000444655771 338479335 /nfs/dbraw/zinc/47/93/35/338479335.db2.gz XVJJBZWOHJGQPM-UHFFFAOYSA-N 0 3 314.473 4.558 20 30 DJEDHN CC[C@H](NCC(C)(C)CCC#N)c1ccccc1Br ZINC000348218234 335562641 /nfs/dbraw/zinc/56/26/41/335562641.db2.gz RHSIADAXBGJVNR-HNNXBMFYSA-N 0 3 323.278 4.820 20 30 DJEDHN N#Cc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccc1F ZINC000351094823 336013526 /nfs/dbraw/zinc/01/35/26/336013526.db2.gz DCLAPTKSLVSXIQ-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN CC[C@H](N[C@@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612090 336226996 /nfs/dbraw/zinc/22/69/96/336226996.db2.gz MREMKMKAWCZGMP-LEWJYISDSA-N 0 3 304.437 4.985 20 30 DJEDHN CC(C)(C)c1ccc(C(C)(C)NCc2cc(C#N)cs2)cc1 ZINC000532783218 336271071 /nfs/dbraw/zinc/27/10/71/336271071.db2.gz JJCJPAQMEQZXJH-UHFFFAOYSA-N 0 3 312.482 4.942 20 30 DJEDHN CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117268 336279499 /nfs/dbraw/zinc/27/94/99/336279499.db2.gz ORYMBIHQLOLIFT-IFXJQAMLSA-N 0 3 323.396 4.658 20 30 DJEDHN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000192991114 336286650 /nfs/dbraw/zinc/28/66/50/336286650.db2.gz QFTAPMDMRLKCSJ-CVEARBPZSA-N 0 3 308.425 4.757 20 30 DJEDHN CCC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999018 336286764 /nfs/dbraw/zinc/28/67/64/336286764.db2.gz OCMVBZYTMXOVGD-JXFKEZNVSA-N 0 3 308.425 4.781 20 30 DJEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCSc3c(F)cccc31)CC2 ZINC000353259288 336408498 /nfs/dbraw/zinc/40/84/98/336408498.db2.gz DVPGRISDRUDELM-QZTJIDSGSA-N 0 3 324.424 4.511 20 30 DJEDHN N#CCCC[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000353903677 336447122 /nfs/dbraw/zinc/44/71/22/336447122.db2.gz XGGUWTQHKADMOI-HNNXBMFYSA-N 0 3 304.846 4.926 20 30 DJEDHN CCOc1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000353912747 336447563 /nfs/dbraw/zinc/44/75/63/336447563.db2.gz GEADMPCBUZSTBE-FQEVSTJZSA-N 0 3 308.425 4.610 20 30 DJEDHN N#CCCC[C@@H](NCc1cnc2ccccc2c1)c1ccccc1 ZINC000353912806 336447676 /nfs/dbraw/zinc/44/76/76/336447676.db2.gz GNQKNMZXAMJXOE-HXUWFJFHSA-N 0 3 315.420 4.760 20 30 DJEDHN C=CCC[C@@H](NCc1ccc(O)c(OCC)c1)c1ccccc1 ZINC000358110136 336612056 /nfs/dbraw/zinc/61/20/56/336612056.db2.gz LSZISFWTGPXSEN-GOSISDBHSA-N 0 3 311.425 4.588 20 30 DJEDHN C[C@@H](CCc1ccccc1F)N[C@H](CCC#N)c1ccccc1 ZINC000358340981 336624838 /nfs/dbraw/zinc/62/48/38/336624838.db2.gz NGBMJOUKVLWESK-OXJNMPFZSA-N 0 3 310.416 4.781 20 30 DJEDHN CCc1cnccc1[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360664957 336718367 /nfs/dbraw/zinc/71/83/67/336718367.db2.gz SXCDLQCLPBZOBS-QVKFZJNVSA-N 0 3 319.452 4.634 20 30 DJEDHN CC[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721236 337017740 /nfs/dbraw/zinc/01/77/40/337017740.db2.gz VDAUONPGKHRPGE-HBMCJLEFSA-N 0 3 320.436 4.519 20 30 DJEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-c2ccncc2)cc1 ZINC000176980868 337154022 /nfs/dbraw/zinc/15/40/22/337154022.db2.gz FZRJQRQVVFAPHR-CQSZACIVSA-N 0 3 319.433 4.533 20 30 DJEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805235 337250420 /nfs/dbraw/zinc/25/04/20/337250420.db2.gz FBRGAZSEWFZLPB-NJZAAPMLSA-N 0 3 306.862 4.549 20 30 DJEDHN CCc1cccc2c1OCC[C@@H]2N[C@H](CC)c1ccc(C#N)cc1 ZINC000584569787 337363527 /nfs/dbraw/zinc/36/35/27/337363527.db2.gz UHZBVOUTISORQQ-UXHICEINSA-N 0 3 320.436 4.685 20 30 DJEDHN C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850736 337769065 /nfs/dbraw/zinc/76/90/65/337769065.db2.gz KLRNHWXQSDVMPG-BBATYDOGSA-N 0 3 314.791 4.689 20 30 DJEDHN CC[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962029 337780305 /nfs/dbraw/zinc/78/03/05/337780305.db2.gz DJQCVFZCFJVNHV-AZUAARDMSA-N 0 3 305.425 4.535 20 30 DJEDHN CC(C)c1cccc2c1OCCC[C@@H]2NCc1cccc(C#N)c1 ZINC000121879507 337900240 /nfs/dbraw/zinc/90/02/40/337900240.db2.gz ACBRGLTXCZBIKT-FQEVSTJZSA-N 0 3 320.436 4.685 20 30 DJEDHN C=CC[C@H](C)[C@H](C)NCc1nc(-c2ccccc2F)cs1 ZINC000428440182 338051488 /nfs/dbraw/zinc/05/14/88/338051488.db2.gz RVOWCPVQMLEBJE-STQMWFEESA-N 0 3 304.434 4.640 20 30 DJEDHN Cc1cccc(CN(C)Cc2cccc(OCCCC#N)c2)c1C ZINC000430104183 338096915 /nfs/dbraw/zinc/09/69/15/338096915.db2.gz RFNOIZRGQODRAZ-UHFFFAOYSA-N 0 3 322.452 4.618 20 30 DJEDHN Cc1nc(-c2cc([C@@H](C)NCC3(CC#N)CC3)cs2)cs1 ZINC000430744462 338113156 /nfs/dbraw/zinc/11/31/56/338113156.db2.gz VCDLOUYLXPDFGY-LLVKDONJSA-N 0 3 317.483 4.525 20 30 DJEDHN Cc1nc(-c2cc([C@H](C)NCC3(CC#N)CC3)cs2)cs1 ZINC000430744463 338113192 /nfs/dbraw/zinc/11/31/92/338113192.db2.gz VCDLOUYLXPDFGY-NSHDSACASA-N 0 3 317.483 4.525 20 30 DJEDHN Cc1ccc(C)c([C@@H](NCC2(CC#N)CC2)c2ccccc2)c1 ZINC000430751007 338113685 /nfs/dbraw/zinc/11/36/85/338113685.db2.gz RKXJXNPUNYZIHJ-FQEVSTJZSA-N 0 3 304.437 4.676 20 30 DJEDHN CSc1ccccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433027215 338177038 /nfs/dbraw/zinc/17/70/38/338177038.db2.gz UBZGENKTZINLML-GOSISDBHSA-N 0 3 310.466 4.933 20 30 DJEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(c2ccccc2)CC1 ZINC000434492184 338218351 /nfs/dbraw/zinc/21/83/51/338218351.db2.gz MWVNNOAZCXPISI-MRXNPFEDSA-N 0 3 308.400 4.580 20 30 DJEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(c2ccccc2)CC1 ZINC000434497603 338218445 /nfs/dbraw/zinc/21/84/45/338218445.db2.gz OHSAUWGQIKKDTL-INIZCTEOSA-N 0 3 308.400 4.580 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000436291965 338266591 /nfs/dbraw/zinc/26/65/91/338266591.db2.gz AZVOCOXFQGMYDW-KWBADKCTSA-N 0 3 320.285 4.687 20 30 DJEDHN Cc1ccc([C@@H](NCc2cccc(C#N)c2)C2CCCC2)cc1 ZINC000446742763 338534385 /nfs/dbraw/zinc/53/43/85/338534385.db2.gz CDOBEOBKLJKJOL-NRFANRHFSA-N 0 3 304.437 4.888 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](c2cccs2)C1)c1ccco1 ZINC000453401327 338838622 /nfs/dbraw/zinc/83/86/22/338838622.db2.gz ZDFKTEZALNXJOH-HLLBOEOZSA-N 0 3 317.454 4.858 20 30 DJEDHN CC[C@H](CC#N)N[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065296 339071709 /nfs/dbraw/zinc/07/17/09/339071709.db2.gz MBCKJBWKJROXGZ-RTWAWAEBSA-N 0 3 306.453 4.512 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1cccc(C#N)c1 ZINC000462842222 339093808 /nfs/dbraw/zinc/09/38/08/339093808.db2.gz XMIFERHVXSUJOJ-VWKPWSFCSA-N 0 3 304.437 4.923 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000462843343 339093893 /nfs/dbraw/zinc/09/38/93/339093893.db2.gz TVYGEZSKVWURIH-XFQAVAEZSA-N 0 3 304.437 4.923 20 30 DJEDHN CC(C)(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000463239239 339111176 /nfs/dbraw/zinc/11/11/76/339111176.db2.gz VBMADKFRNDCPHQ-HACGYAERSA-N 0 3 306.400 4.724 20 30 DJEDHN Cc1ccc([C@H](N[C@@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000463297325 339113975 /nfs/dbraw/zinc/11/39/75/339113975.db2.gz KPPGTWVVZGTAAL-IOMROCGXSA-N 0 3 304.437 4.756 20 30 DJEDHN CC[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000464787078 339153642 /nfs/dbraw/zinc/15/36/42/339153642.db2.gz WQNYNRYAUDFUGZ-IBGZPJMESA-N 0 3 322.477 4.553 20 30 DJEDHN COc1ccc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000466739458 339215083 /nfs/dbraw/zinc/21/50/83/339215083.db2.gz LXOBJAWDOFNDGN-INIZCTEOSA-N 0 3 320.436 4.507 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000469995951 339307491 /nfs/dbraw/zinc/30/74/91/339307491.db2.gz HHKLPUXDNSHIJF-HNNXBMFYSA-N 0 3 324.390 4.651 20 30 DJEDHN CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619022 339349886 /nfs/dbraw/zinc/34/98/86/339349886.db2.gz MCBWLPQGMDTXEM-RCBQFDQVSA-N 0 3 310.363 4.828 20 30 DJEDHN N#Cc1csc(CN2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000475576135 339456263 /nfs/dbraw/zinc/45/62/63/339456263.db2.gz VCRSWUMHJBZITO-UHFFFAOYSA-N 0 3 316.857 4.653 20 30 DJEDHN C=C(C)[C@H](N[C@@H](C)CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480668301 339582436 /nfs/dbraw/zinc/58/24/36/339582436.db2.gz MJUYIOXWCNZHQZ-HZMBPMFUSA-N 0 3 307.306 4.903 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CSc2ccccc21 ZINC000481667167 339609192 /nfs/dbraw/zinc/60/91/92/339609192.db2.gz GTSYPVUCYLVJSI-MOPGFXCFSA-N 0 3 320.461 4.762 20 30 DJEDHN CCOc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481918943 339616635 /nfs/dbraw/zinc/61/66/35/339616635.db2.gz HFZJTZDPJJYAKB-NRFANRHFSA-N 0 3 320.436 4.514 20 30 DJEDHN CC[C@H](CC(F)(F)F)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000482002254 339619284 /nfs/dbraw/zinc/61/92/84/339619284.db2.gz PCHZDXGJEUVTSY-GDBMZVCRSA-N 0 3 310.363 4.646 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000484092131 339680937 /nfs/dbraw/zinc/68/09/37/339680937.db2.gz HAWCKPWHJJFUTQ-HXUWFJFHSA-N 0 3 322.383 4.930 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc2ncsc2c1)c1ccc(C#N)cc1 ZINC000485817794 339713687 /nfs/dbraw/zinc/71/36/87/339713687.db2.gz LFBWDQNVBKNKFA-STQMWFEESA-N 0 3 307.422 4.580 20 30 DJEDHN COc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)c(C)c1 ZINC000488152226 339772046 /nfs/dbraw/zinc/77/20/46/339772046.db2.gz QENWQJMKXPKLFQ-FQEVSTJZSA-N 0 3 322.452 4.752 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000488471907 339784518 /nfs/dbraw/zinc/78/45/18/339784518.db2.gz UGEYLUJVHIEGKJ-NEPJUHHUSA-N 0 3 302.780 4.763 20 30 DJEDHN CC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccc(C#N)cc1 ZINC000479459478 340151830 /nfs/dbraw/zinc/15/18/30/340151830.db2.gz WSNVZQTXCLIYTN-LJQANCHMSA-N 0 3 317.436 4.599 20 30 DJEDHN CC(C)Oc1ccc2ccccc2c1CN1CCC(C)(C#N)CC1 ZINC000506026342 340183624 /nfs/dbraw/zinc/18/36/24/340183624.db2.gz GDRQUPJQMLEIMN-UHFFFAOYSA-N 0 3 322.452 4.753 20 30 DJEDHN CC(C)(C#N)CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511095024 340320569 /nfs/dbraw/zinc/32/05/69/340320569.db2.gz ZJQVTKRONZGGRS-OAHLLOKOSA-N 0 3 324.390 4.825 20 30 DJEDHN CCN(CCSc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000303538389 340331621 /nfs/dbraw/zinc/33/16/21/340331621.db2.gz JAQBWQQNPGRKJV-MRXNPFEDSA-N 0 3 310.466 4.733 20 30 DJEDHN C=C(C)CN(CCCCC(F)(F)F)Cc1cnn(C(C)C)c1 ZINC000512547311 340366297 /nfs/dbraw/zinc/36/62/97/340366297.db2.gz LTBGKIUATUWXPR-UHFFFAOYSA-N 0 3 317.399 4.575 20 30 DJEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000512665142 340371936 /nfs/dbraw/zinc/37/19/36/340371936.db2.gz DRIGBMXDHZGYSJ-ZIAGYGMSSA-N 0 3 314.429 4.529 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000512667672 340372080 /nfs/dbraw/zinc/37/20/80/340372080.db2.gz QPTLNRSGQIGSCU-VLIAUNLRSA-N 0 3 308.400 4.808 20 30 DJEDHN C=C1CCN(CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000520849299 340476358 /nfs/dbraw/zinc/47/63/58/340476358.db2.gz MAECQMWQQPLALS-UHFFFAOYSA-N 0 3 313.363 4.516 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000538232710 340814278 /nfs/dbraw/zinc/81/42/78/340814278.db2.gz GSWOIKHKUOMOFB-SFHVURJKSA-N 0 3 314.379 4.713 20 30 DJEDHN Cc1ccccc1[C@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000540459283 340932136 /nfs/dbraw/zinc/93/21/36/340932136.db2.gz VCGMWJAOZHUGRH-IBGZPJMESA-N 0 3 310.416 4.883 20 30 DJEDHN CCc1ccc([C@@H](NCc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000542281938 341003470 /nfs/dbraw/zinc/00/34/70/341003470.db2.gz JJXWHGYAGBEFKV-NRFANRHFSA-N 0 3 306.453 4.802 20 30 DJEDHN C=C(CC)CN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569445 341014042 /nfs/dbraw/zinc/01/40/42/341014042.db2.gz URUPYLIXFXUFEB-CYBMUJFWSA-N 0 3 316.470 4.744 20 30 DJEDHN CC(C)(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000542575380 341014330 /nfs/dbraw/zinc/01/43/30/341014330.db2.gz GFPOVYHPEDBNSZ-UHFFFAOYSA-N 0 3 323.383 4.643 20 30 DJEDHN C=C(CC)CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543052593 341029514 /nfs/dbraw/zinc/02/95/14/341029514.db2.gz SIWLXYLWKAYQCY-GOSISDBHSA-N 0 3 300.833 4.575 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543139279 341033878 /nfs/dbraw/zinc/03/38/78/341033878.db2.gz PVOIDAYZLKMYCL-LJQANCHMSA-N 0 3 312.844 4.893 20 30 DJEDHN N#CCC1CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000543781172 341058620 /nfs/dbraw/zinc/05/86/20/341058620.db2.gz NZRYVVNDTUCFJR-UHFFFAOYSA-N 0 3 322.477 4.963 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000544071080 341069317 /nfs/dbraw/zinc/06/93/17/341069317.db2.gz MNRKRCQDBMSCRN-IBGZPJMESA-N 0 3 310.416 4.769 20 30 DJEDHN COc1ccc([C@@H](CCC#N)NC[C@@H](C)c2cccc(C)c2)cc1 ZINC000546308606 341162492 /nfs/dbraw/zinc/16/24/92/341162492.db2.gz NKKRVHWSUXXFDS-DYESRHJHSA-N 0 3 322.452 4.742 20 30 DJEDHN CCCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755631 341182030 /nfs/dbraw/zinc/18/20/30/341182030.db2.gz XOOGMVGMFNBWAG-INIZCTEOSA-N 0 3 308.425 4.588 20 30 DJEDHN C=CCOc1ccc(CN[C@H](CC)CC(F)(F)F)cc1Cl ZINC000546881038 341185250 /nfs/dbraw/zinc/18/52/50/341185250.db2.gz ZHNJFEWCFXFYJW-GFCCVEGCSA-N 0 3 321.770 4.725 20 30 DJEDHN Cc1ccc(-c2ccc(CNCc3cccc(C#N)c3)s2)cc1 ZINC000237723287 341218971 /nfs/dbraw/zinc/21/89/71/341218971.db2.gz IHQKODUNXIZZCK-UHFFFAOYSA-N 0 3 318.445 4.885 20 30 DJEDHN N#Cc1cccc(CN[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000237878862 341222418 /nfs/dbraw/zinc/22/24/18/341222418.db2.gz SCYOZLGXOKOAPP-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN COc1ccccc1C(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000135187487 341233005 /nfs/dbraw/zinc/23/30/05/341233005.db2.gz YJBKBVLZPXSEAA-UHFFFAOYSA-N 0 3 322.452 4.521 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2cccs2)C2CCCC2)s1 ZINC000135682692 341244020 /nfs/dbraw/zinc/24/40/20/341244020.db2.gz NCSUAQIHVDRVLQ-MRXNPFEDSA-N 0 3 302.468 4.702 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544959 341297158 /nfs/dbraw/zinc/29/71/58/341297158.db2.gz RUYZSPHXEZZCAV-XPIZARPCSA-N 0 3 315.420 4.568 20 30 DJEDHN C=CCC[C@H](NCCc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000552282924 341384112 /nfs/dbraw/zinc/38/41/12/341384112.db2.gz SDAMIURVTYGPDO-HNNXBMFYSA-N 0 3 309.331 4.537 20 30 DJEDHN N#C[C@H]1CC[C@H](N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000555527587 341484186 /nfs/dbraw/zinc/48/41/86/341484186.db2.gz HTCSSFTWRLHNOI-JSGCOSHPSA-N 0 3 323.267 4.865 20 30 DJEDHN CC(C)(C#N)CCCN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000154332325 341588200 /nfs/dbraw/zinc/58/82/00/341588200.db2.gz CPVLJLQPRCAGLV-IBGZPJMESA-N 0 3 310.416 4.835 20 30 DJEDHN N#Cc1csc(CN[C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000154479252 341589832 /nfs/dbraw/zinc/58/98/32/341589832.db2.gz JONCUNNVBJNMKL-GOSISDBHSA-N 0 3 314.429 4.780 20 30 DJEDHN N#Cc1cccc(CN[C@@H]2CCc3c2cc(Cl)cc3Cl)c1 ZINC000154576697 341591802 /nfs/dbraw/zinc/59/18/02/341591802.db2.gz BMDUAHYLLANXMC-QGZVFWFLSA-N 0 3 317.219 4.642 20 30 DJEDHN N#CCc1ccc(CN[C@@H]2CCCc3c(Cl)cccc32)cc1 ZINC000567856972 341637201 /nfs/dbraw/zinc/63/72/01/341637201.db2.gz WBJUCJQHCHENFL-LJQANCHMSA-N 0 3 310.828 4.573 20 30 DJEDHN CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2 ZINC000573452809 341728928 /nfs/dbraw/zinc/72/89/28/341728928.db2.gz YHZDKAOAUVAGLV-FGZHOGPDSA-N 0 3 316.448 4.946 20 30 DJEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000174357997 341826345 /nfs/dbraw/zinc/82/63/45/341826345.db2.gz SPGYFQCHEWBQDW-STQMWFEESA-N 0 3 316.351 4.571 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000577006100 341875362 /nfs/dbraw/zinc/87/53/62/341875362.db2.gz JXZQWHPZJGNBNC-LEWJYISDSA-N 0 3 320.411 4.742 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000176957814 341906872 /nfs/dbraw/zinc/90/68/72/341906872.db2.gz KBNMCKWMTKLJSS-SFHVURJKSA-N 0 3 314.429 4.780 20 30 DJEDHN CCCC[C@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 ZINC000177695950 341924155 /nfs/dbraw/zinc/92/41/55/341924155.db2.gz CPRTYUVDJPLYOH-SFHVURJKSA-N 0 3 314.454 4.649 20 30 DJEDHN CC(C)(C)C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000061117203 517377268 /nfs/dbraw/zinc/37/72/68/517377268.db2.gz RRMVROCPTNESHE-IBGZPJMESA-N 0 3 310.416 4.964 20 30 DJEDHN CC[C@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000570896500 332837103 /nfs/dbraw/zinc/83/71/03/332837103.db2.gz SPKDSZHXWKUXCJ-SFHVURJKSA-N 0 3 310.828 4.942 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000533384083 331513228 /nfs/dbraw/zinc/51/32/28/331513228.db2.gz FORCQOMIKKLPIK-NRFANRHFSA-N 0 3 320.436 4.588 20 30 DJEDHN CCc1ccc([C@@H](CC)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000556605660 331718813 /nfs/dbraw/zinc/71/88/13/331718813.db2.gz DLIQVALZIMXZEZ-HXUWFJFHSA-N 0 3 304.437 4.851 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000557483718 331793640 /nfs/dbraw/zinc/79/36/40/331793640.db2.gz RSKXUZGBQCGGKO-RTWAWAEBSA-N 0 3 302.421 4.521 20 30 DJEDHN CC(C)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000557517108 331796612 /nfs/dbraw/zinc/79/66/12/331796612.db2.gz DONPAURCXGHPPC-LEWJYISDSA-N 0 3 304.437 4.923 20 30 DJEDHN CC(C)Sc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000558741025 331940533 /nfs/dbraw/zinc/94/05/33/331940533.db2.gz HHZYLAVHTCGWIU-OAHLLOKOSA-N 0 3 310.466 4.910 20 30 DJEDHN CC1(C)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514276 332118168 /nfs/dbraw/zinc/11/81/68/332118168.db2.gz WMFCDNUXWDEZFQ-UXHICEINSA-N 0 3 302.421 4.558 20 30 DJEDHN CC(C)(C)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000560070170 332308702 /nfs/dbraw/zinc/30/87/02/332308702.db2.gz DHJJKZXNQGQELM-UHFFFAOYSA-N 0 3 304.437 4.635 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](C(CC)CC)C1)c1ccco1 ZINC000560550023 332358274 /nfs/dbraw/zinc/35/82/74/332358274.db2.gz SUUQPFHXQBCMRL-ZIFCJYIRSA-N 0 3 305.462 4.860 20 30 DJEDHN CC(C)(C)C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000323165683 332376141 /nfs/dbraw/zinc/37/61/41/332376141.db2.gz UKUUIHDZDWMHJT-IBGZPJMESA-N 0 3 310.416 4.964 20 30 DJEDHN C[C@H](NCc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000151395411 332576004 /nfs/dbraw/zinc/57/60/04/332576004.db2.gz LKVXBUKDVYYWJW-NSHDSACASA-N 0 3 305.208 4.716 20 30 DJEDHN CC(C)(C#N)CCCN(Cc1ccco1)Cc1cccs1 ZINC000174811085 333090908 /nfs/dbraw/zinc/09/09/08/333090908.db2.gz HYCZSJFONLNOJA-UHFFFAOYSA-N 0 3 302.443 4.673 20 30 DJEDHN N#CCCCCN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000180429197 333161920 /nfs/dbraw/zinc/16/19/20/333161920.db2.gz GQSOVAFQSHTTJG-SFHVURJKSA-N 0 3 316.807 4.852 20 30 DJEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685251 333171590 /nfs/dbraw/zinc/17/15/90/333171590.db2.gz BCOKTFZEWKCIFF-KKSFZXQISA-N 0 3 320.436 4.781 20 30 DJEDHN CCN(CCO[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497621110 333270733 /nfs/dbraw/zinc/27/07/33/333270733.db2.gz SDEHIFHHPUJGAQ-MBOZVWFJSA-N 0 3 314.473 4.536 20 30 DJEDHN CCN(Cc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000514089437 333297499 /nfs/dbraw/zinc/29/74/99/333297499.db2.gz QBQRJFNMTYHUDU-UHFFFAOYSA-N 0 3 300.405 4.734 20 30 DJEDHN C[C@@H](CCC#N)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000411397464 333664736 /nfs/dbraw/zinc/66/47/36/333664736.db2.gz HLHVOHKYMAGNKV-ZDUSSCGKSA-N 0 3 308.878 4.589 20 30 DJEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(SCC(F)F)cc1 ZINC000414166590 333916262 /nfs/dbraw/zinc/91/62/62/333916262.db2.gz NVIASSGPYRYZPG-GFCCVEGCSA-N 0 3 312.429 4.634 20 30 DJEDHN CC(C)(CC#N)CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000414166790 333916557 /nfs/dbraw/zinc/91/65/57/333916557.db2.gz OEUWGHDNTLJCIX-HNNXBMFYSA-N 0 3 310.363 4.686 20 30 DJEDHN Cc1nc(-c2cc([C@@H](C)NCC(C)(C)CC#N)cs2)cs1 ZINC000414168402 333917173 /nfs/dbraw/zinc/91/71/73/333917173.db2.gz QQDVNNYFBYYFBI-LLVKDONJSA-N 0 3 319.499 4.771 20 30 DJEDHN COc1ccc(C)cc1[C@H](C)NCc1ccccc1C(C)(C)C#N ZINC000271611484 334024749 /nfs/dbraw/zinc/02/47/49/334024749.db2.gz BOPIZCMTJLVEAG-INIZCTEOSA-N 0 3 322.452 4.656 20 30 DJEDHN CC(C)[C@H]1C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755675 334100678 /nfs/dbraw/zinc/10/06/78/334100678.db2.gz OCLZURYOMHWDCH-NHCUHLMSSA-N 0 3 320.436 4.563 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721051 334191364 /nfs/dbraw/zinc/19/13/64/334191364.db2.gz APXOAECJSUAKSQ-UKRRQHHQSA-N 0 3 320.889 4.589 20 30 DJEDHN COc1ccccc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340431064 334198458 /nfs/dbraw/zinc/19/84/58/334198458.db2.gz JITLGHHXKGPPJF-LPHOPBHVSA-N 0 3 308.425 4.781 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511822 334198549 /nfs/dbraw/zinc/19/85/49/334198549.db2.gz IBHIDYVDYHJYBK-FRFSOERESA-N 0 3 322.374 4.577 20 30 DJEDHN N#CCCC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438767 334202095 /nfs/dbraw/zinc/20/20/95/334202095.db2.gz ALNZRQKOEWPIHM-PMACEKPBSA-N 0 3 308.400 4.838 20 30 DJEDHN N#CCCC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438770 334202147 /nfs/dbraw/zinc/20/21/47/334202147.db2.gz ALNZRQKOEWPIHM-UXHICEINSA-N 0 3 308.400 4.838 20 30 DJEDHN COc1cccc2c1CC[C@@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340446410 334203386 /nfs/dbraw/zinc/20/33/86/334203386.db2.gz OENJXRGDXBUJMC-UXHICEINSA-N 0 3 320.436 4.707 20 30 DJEDHN Cc1c([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447294 334204307 /nfs/dbraw/zinc/20/43/07/334204307.db2.gz PMKODQIDKCXCPD-OXQOHEQNSA-N 0 3 324.472 4.858 20 30 DJEDHN Cc1c([C@H](C)N[C@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447281 334204373 /nfs/dbraw/zinc/20/43/73/334204373.db2.gz PMKODQIDKCXCPD-OXJNMPFZSA-N 0 3 324.472 4.858 20 30 DJEDHN CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951130 334309167 /nfs/dbraw/zinc/30/91/67/334309167.db2.gz AKORUZJWAQFLBJ-QRWLVFNGSA-N 0 3 308.425 4.759 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 ZINC000341759116 334477725 /nfs/dbraw/zinc/47/77/25/334477725.db2.gz DMTCTBIONMIAKK-NHCUHLMSSA-N 0 3 304.437 4.985 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2cc(F)ccc21 ZINC000341897198 334493370 /nfs/dbraw/zinc/49/33/70/334493370.db2.gz QMICHDONQJNZCM-RTWAWAEBSA-N 0 3 320.411 4.742 20 30 DJEDHN C[C@@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000342801776 334573082 /nfs/dbraw/zinc/57/30/82/334573082.db2.gz YKGOMRMFBMHXJE-FOIQADDNSA-N 0 3 302.421 4.776 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000188066803 334635408 /nfs/dbraw/zinc/63/54/08/334635408.db2.gz OODVAAYGODQLJX-HUUCEWRRSA-N 0 3 320.392 4.747 20 30 DJEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000417371001 334764588 /nfs/dbraw/zinc/76/45/88/334764588.db2.gz SYOGJBVHMAPZIC-SFTDATJTSA-N 0 3 315.420 4.548 20 30 DJEDHN Cc1[nH]c2c(cc(C)cc2CNCc2ccc(C#N)c(C)c2)c1C ZINC000443978408 338465126 /nfs/dbraw/zinc/46/51/26/338465126.db2.gz JXPLPYVTIHOGDE-UHFFFAOYSA-N 0 3 317.436 4.563 20 30 DJEDHN CC(C)(C#N)CCCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000444668084 338480658 /nfs/dbraw/zinc/48/06/58/338480658.db2.gz DKGAYUIEAMINRO-HNNXBMFYSA-N 0 3 312.379 4.990 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)C1CCC1)CC2 ZINC000519794922 335897330 /nfs/dbraw/zinc/89/73/30/335897330.db2.gz QJPVXRGYZLAFSK-LEWJYISDSA-N 0 3 302.421 4.677 20 30 DJEDHN N#Cc1csc(CNC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000532479764 336251509 /nfs/dbraw/zinc/25/15/09/336251509.db2.gz LMDRVZFHGSUZRT-UHFFFAOYSA-N 0 3 316.857 4.832 20 30 DJEDHN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000192759180 336260772 /nfs/dbraw/zinc/26/07/72/336260772.db2.gz KCVRFLXHCXNEOE-HZPDHXFCSA-N 0 3 308.425 4.757 20 30 DJEDHN CCCCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000324825634 336260786 /nfs/dbraw/zinc/26/07/86/336260786.db2.gz AUOUKNTZTRDDDI-QGZVFWFLSA-N 0 3 322.452 4.978 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192933461 336285100 /nfs/dbraw/zinc/28/51/00/336285100.db2.gz OAYUZGXPBXBELM-ZIAGYGMSSA-N 0 3 314.816 4.654 20 30 DJEDHN COc1ccc2ccccc2c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000192940709 336285506 /nfs/dbraw/zinc/28/55/06/336285506.db2.gz AOBCHQMTQPCLHV-HNNXBMFYSA-N 0 3 316.404 4.571 20 30 DJEDHN CCc1ccc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980150 336286472 /nfs/dbraw/zinc/28/64/72/336286472.db2.gz WQKWGJCMFBGVDY-JKSUJKDBSA-N 0 3 308.425 4.563 20 30 DJEDHN C[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988826 336286598 /nfs/dbraw/zinc/28/65/98/336286598.db2.gz LVLBGLZCYIDHEX-SJKOYZFVSA-N 0 3 312.413 4.585 20 30 DJEDHN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000193002534 336286738 /nfs/dbraw/zinc/28/67/38/336286738.db2.gz UUIQRDBLAANWCE-STQMWFEESA-N 0 3 318.342 4.989 20 30 DJEDHN CC(C)Sc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000103345362 336376431 /nfs/dbraw/zinc/37/64/31/336376431.db2.gz KWYWPQQIXGZUCC-OAHLLOKOSA-N 0 3 310.466 4.910 20 30 DJEDHN N#CCCC[C@@H](NCc1sccc1Cl)c1ccccc1 ZINC000353903680 336446989 /nfs/dbraw/zinc/44/69/89/336446989.db2.gz XGGUWTQHKADMOI-OAHLLOKOSA-N 0 3 304.846 4.926 20 30 DJEDHN CC(C)c1ncc(CN[C@@H](CCCC#N)c2ccccc2)s1 ZINC000353918420 336448213 /nfs/dbraw/zinc/44/82/13/336448213.db2.gz YDWIQASYLYGQDM-KRWDZBQOSA-N 0 3 313.470 4.791 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C2CC2)cc1 ZINC000357788465 336598572 /nfs/dbraw/zinc/59/85/72/336598572.db2.gz LTZLEUXLQPGOKY-OAQYLSRUSA-N 0 3 302.421 4.603 20 30 DJEDHN C[C@@H]1[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000361895380 336777329 /nfs/dbraw/zinc/77/73/29/336777329.db2.gz WUNWHECDVMQFNB-NASSWSRMSA-N 0 3 304.437 4.813 20 30 DJEDHN C=C(C)[C@@H](NCCCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000481610234 339607578 /nfs/dbraw/zinc/60/75/78/339607578.db2.gz AEJRNQAZSVXDQL-CQSZACIVSA-N 0 3 307.306 4.904 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2cc(F)ccc2o1 ZINC000418139165 336896371 /nfs/dbraw/zinc/89/63/71/336896371.db2.gz DPPUEUUISRYNSA-IBGZPJMESA-N 0 3 320.367 4.611 20 30 DJEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000582632724 337116437 /nfs/dbraw/zinc/11/64/37/337116437.db2.gz CRSUFVRZEOPEFP-LEWJYISDSA-N 0 3 323.484 4.646 20 30 DJEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc3c2CCCC3)n1 ZINC000583006723 337228297 /nfs/dbraw/zinc/22/82/97/337228297.db2.gz NSMVYMKDHBVYSS-INIZCTEOSA-N 0 3 324.449 4.635 20 30 DJEDHN CC[C@H](NCc1cc2cc(C)ccc2o1)c1ccc(C#N)cc1 ZINC000584481097 337348884 /nfs/dbraw/zinc/34/88/84/337348884.db2.gz AKOVWUYGYKEZNZ-IBGZPJMESA-N 0 3 304.393 4.854 20 30 DJEDHN CCc1cccc2c1OCC[C@H]2N[C@H](CC)c1ccc(C#N)cc1 ZINC000584569789 337363632 /nfs/dbraw/zinc/36/36/32/337363632.db2.gz UHZBVOUTISORQQ-WOJBJXKFSA-N 0 3 320.436 4.685 20 30 DJEDHN CC[C@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000421879660 337658360 /nfs/dbraw/zinc/65/83/60/337658360.db2.gz PJLSVPADDFJOBB-ROUUACIJSA-N 0 3 314.379 4.995 20 30 DJEDHN C[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)c(F)c1 ZINC000527990804 337778227 /nfs/dbraw/zinc/77/82/27/337778227.db2.gz BIBMTOPAFVYGND-ZMZPIMSZSA-N 0 3 314.791 4.689 20 30 DJEDHN Cc1ccccc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000536894963 337845307 /nfs/dbraw/zinc/84/53/07/337845307.db2.gz WUXBBJRXNSQAPW-UHFFFAOYSA-N 0 3 312.416 4.824 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000121840361 337901820 /nfs/dbraw/zinc/90/18/20/337901820.db2.gz SASYDKQTCLPVFI-QWHCGFSZSA-N 0 3 318.342 4.989 20 30 DJEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406669 337933603 /nfs/dbraw/zinc/93/36/03/337933603.db2.gz JPPYPGVXGILCRP-VLIAUNLRSA-N 0 3 308.400 4.889 20 30 DJEDHN CC1(C)CC[C@@H]2C[C@@H](NCc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384445 337934402 /nfs/dbraw/zinc/93/44/02/337934402.db2.gz RQGANHJQEUYBCJ-YLJYHZDGSA-N 0 3 316.448 4.948 20 30 DJEDHN C=C(C)[C@@H](N[C@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438952 338081081 /nfs/dbraw/zinc/08/10/81/338081081.db2.gz ZOEQPVMTHOMERD-CXAGYDPISA-N 0 3 309.400 4.519 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000430726588 338112420 /nfs/dbraw/zinc/11/24/20/338112420.db2.gz VNXUZMCKEDBABE-AWEZNQCLSA-N 0 3 304.393 4.930 20 30 DJEDHN N#CCC1(CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000430737601 338112766 /nfs/dbraw/zinc/11/27/66/338112766.db2.gz JDHTVOOQXGMMRY-OAHLLOKOSA-N 0 3 309.240 4.728 20 30 DJEDHN CCC[C@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430740863 338112990 /nfs/dbraw/zinc/11/29/90/338112990.db2.gz QSVIFNKWDIZJEI-HNNXBMFYSA-N 0 3 310.363 4.830 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000430744516 338113174 /nfs/dbraw/zinc/11/31/74/338113174.db2.gz NYMDJTOJYRQUBB-CYBMUJFWSA-N 0 3 314.429 4.899 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000430757251 338113950 /nfs/dbraw/zinc/11/39/50/338113950.db2.gz VJBKDRZYBFHHGJ-QGZVFWFLSA-N 0 3 320.436 4.610 20 30 DJEDHN N#CCCC[C@@H](NCC#Cc1ccccc1Cl)c1ccccc1 ZINC000433028991 338177178 /nfs/dbraw/zinc/17/71/78/338177178.db2.gz QTBJJZVDJSOFBO-HXUWFJFHSA-N 0 3 322.839 4.716 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000435664785 338244653 /nfs/dbraw/zinc/24/46/53/338244653.db2.gz NVGZRNUUDGLBBS-MKBNYLNASA-N 0 3 314.256 4.625 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCC2)c(Cl)c1 ZINC000439430098 338369102 /nfs/dbraw/zinc/36/91/02/338369102.db2.gz HSPSYINQAWGAMD-IBGZPJMESA-N 0 3 310.828 4.843 20 30 DJEDHN N#Cc1ccc(F)c(CNC2(c3ccccc3)CCCCC2)c1 ZINC000440915593 338399922 /nfs/dbraw/zinc/39/99/22/338399922.db2.gz LTVVSLQXGSAZJI-UHFFFAOYSA-N 0 3 308.400 4.647 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777741 338430565 /nfs/dbraw/zinc/43/05/65/338430565.db2.gz AAZFYUTWJSHOTL-NIKGAXFTSA-N 0 3 310.828 4.711 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442856611 338435228 /nfs/dbraw/zinc/43/52/28/338435228.db2.gz RDACUCCUJKPGNV-FVQBIDKESA-N 0 3 310.363 4.623 20 30 DJEDHN CC[C@@H](N[C@@H](C)c1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447512813 338553324 /nfs/dbraw/zinc/55/33/24/338553324.db2.gz QVWDELUXCRXTFK-SCLBCKFNSA-N 0 3 312.388 4.508 20 30 DJEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000461394224 339062813 /nfs/dbraw/zinc/06/28/13/339062813.db2.gz HTVDVQZKRLDHHQ-UHFFFAOYSA-N 0 3 314.379 4.906 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288816 339113582 /nfs/dbraw/zinc/11/35/82/339113582.db2.gz QDGMLEPOCUFASN-JRPNMDOOSA-N 0 3 309.240 4.653 20 30 DJEDHN COc1cccc(-c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)c1 ZINC000463304254 339114254 /nfs/dbraw/zinc/11/42/54/339114254.db2.gz VJWBAFFFECZROL-FXAWDEMLSA-N 0 3 320.436 4.534 20 30 DJEDHN Cc1cccc(C(N[C@H]2CC[C@@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597780 339348789 /nfs/dbraw/zinc/34/87/89/339348789.db2.gz HGYUOQLEMSHBFC-XLIONFOSSA-N 0 3 304.437 4.675 20 30 DJEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000471599459 339348967 /nfs/dbraw/zinc/34/89/67/339348967.db2.gz SJDVKEZYCUEKHL-UNEWFSDZSA-N 0 3 320.864 4.718 20 30 DJEDHN Cc1ccc(SC[C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000471603284 339349123 /nfs/dbraw/zinc/34/91/23/339349123.db2.gz SELSOKFJMMDJSX-HOTGVXAUSA-N 0 3 310.466 4.698 20 30 DJEDHN CCN(c1ccccc1)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000472126186 339363642 /nfs/dbraw/zinc/36/36/42/339363642.db2.gz MNRTUUIIJBUDHI-OALUTQOASA-N 0 3 319.452 4.626 20 30 DJEDHN CCN(c1ccccc1)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000472126185 339363649 /nfs/dbraw/zinc/36/36/49/339363649.db2.gz MNRTUUIIJBUDHI-MOPGFXCFSA-N 0 3 319.452 4.626 20 30 DJEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155459 339364657 /nfs/dbraw/zinc/36/46/57/339364657.db2.gz LVWSVIWZJHWZCS-SJORKVTESA-N 0 3 308.450 4.620 20 30 DJEDHN CC(C)(C#N)CCCN1Cc2ccccc2-c2ccccc2C1 ZINC000472255931 339367847 /nfs/dbraw/zinc/36/78/47/339367847.db2.gz HMMXIEBGRVDNIZ-UHFFFAOYSA-N 0 3 304.437 4.999 20 30 DJEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000474056682 339399624 /nfs/dbraw/zinc/39/96/24/339399624.db2.gz LSIDVFCIERRLFI-XOBRGWDASA-N 0 3 320.436 4.640 20 30 DJEDHN N#Cc1ccc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 ZINC000478199053 339510092 /nfs/dbraw/zinc/51/00/92/339510092.db2.gz CBYJYOYPPJFGQL-IBGZPJMESA-N 0 3 324.374 4.562 20 30 DJEDHN Cc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481911477 339616365 /nfs/dbraw/zinc/61/63/65/339616365.db2.gz GCRAISSVXLTEDK-HXUWFJFHSA-N 0 3 308.400 4.563 20 30 DJEDHN CSc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481916334 339616700 /nfs/dbraw/zinc/61/67/00/339616700.db2.gz CXQCANWDUFOCCM-FQEVSTJZSA-N 0 3 322.477 4.837 20 30 DJEDHN CC[C@H](CC(F)(F)F)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000482002260 339619160 /nfs/dbraw/zinc/61/91/60/339619160.db2.gz PCHZDXGJEUVTSY-ZBFHGGJFSA-N 0 3 310.363 4.646 20 30 DJEDHN C=CCOc1ccccc1CN[C@H](CC)c1cccc(OC)c1 ZINC000482896747 339646427 /nfs/dbraw/zinc/64/64/27/339646427.db2.gz UJHNWVYZGSWXJV-LJQANCHMSA-N 0 3 311.425 4.501 20 30 DJEDHN C=CCC[C@@H](CC)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483668869 339671452 /nfs/dbraw/zinc/67/14/52/339671452.db2.gz LVYOBBQPOLKFRQ-UKRRQHHQSA-N 0 3 317.408 4.580 20 30 DJEDHN CC(C)[C@H](NCc1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000484092130 339680982 /nfs/dbraw/zinc/68/09/82/339680982.db2.gz HAWCKPWHJJFUTQ-FQEVSTJZSA-N 0 3 322.383 4.930 20 30 DJEDHN Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000488112533 339770675 /nfs/dbraw/zinc/77/06/75/339770675.db2.gz ZRIGJOFWWSDTNW-CYBMUJFWSA-N 0 3 318.342 4.736 20 30 DJEDHN Cc1cc([C@@H](NCc2ccc(C#N)c(C)c2)C2CC2)ccc1F ZINC000488167578 339772359 /nfs/dbraw/zinc/77/23/59/339772359.db2.gz WGWFUDJJCCWHSD-FQEVSTJZSA-N 0 3 308.400 4.555 20 30 DJEDHN CC(C)(C)[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CS1 ZINC000488440734 339782453 /nfs/dbraw/zinc/78/24/53/339782453.db2.gz QQVCGYGADRJGQV-BBWFWOEESA-N 0 3 302.487 4.541 20 30 DJEDHN Cc1cc(CN[C@@H]2CCCc3sc(Cl)cc32)ccc1C#N ZINC000492355929 339898463 /nfs/dbraw/zinc/89/84/63/339898463.db2.gz IUIXUDQEIIMMBO-OAHLLOKOSA-N 0 3 316.857 4.749 20 30 DJEDHN CC(C)OC[C@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450446 340059256 /nfs/dbraw/zinc/05/92/56/340059256.db2.gz GUUUTDVCCCSFMY-IRXDYDNUSA-N 0 3 322.452 4.689 20 30 DJEDHN C[C@H](c1cccc(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502497772 340106011 /nfs/dbraw/zinc/10/60/11/340106011.db2.gz YSFMHVNNQRSTFC-OAHLLOKOSA-N 0 3 306.384 4.548 20 30 DJEDHN C=CCOc1ccc(CNC2(c3ccccc3)CCCC2)cc1 ZINC000506309421 340191848 /nfs/dbraw/zinc/19/18/48/340191848.db2.gz UEYUTFSAEMNGFI-UHFFFAOYSA-N 0 3 307.437 4.811 20 30 DJEDHN CCCCCN(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000507327592 340217335 /nfs/dbraw/zinc/21/73/35/340217335.db2.gz QTTUKVIZOKNTFQ-UHFFFAOYSA-N 0 3 317.436 4.622 20 30 DJEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507615741 340226245 /nfs/dbraw/zinc/22/62/45/340226245.db2.gz AXKBDOMIFHWPFH-KBPBESRZSA-N 0 3 313.894 4.595 20 30 DJEDHN CC1(C#N)CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000507705623 340228986 /nfs/dbraw/zinc/22/89/86/340228986.db2.gz WQFYGVKHLRQUCF-UHFFFAOYSA-N 0 3 314.429 4.680 20 30 DJEDHN N#Cc1ccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000507999467 340237177 /nfs/dbraw/zinc/23/71/77/340237177.db2.gz PGPBABXQOLFPGV-LJQANCHMSA-N 0 3 308.450 4.662 20 30 DJEDHN N#Cc1ccc(CN(C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000507999452 340237219 /nfs/dbraw/zinc/23/72/19/340237219.db2.gz PGPBABXQOLFPGV-IBGZPJMESA-N 0 3 308.450 4.662 20 30 DJEDHN C=C(C)CNCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000512365408 340358993 /nfs/dbraw/zinc/35/89/93/340358993.db2.gz XTCJHJMKEXRTGH-UHFFFAOYSA-N 0 3 317.864 4.624 20 30 DJEDHN CCCc1ccc([C@H](NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512808536 340378522 /nfs/dbraw/zinc/37/85/22/340378522.db2.gz CWQBZMNKXSOHIJ-OAQYLSRUSA-N 0 3 306.453 4.998 20 30 DJEDHN C[C@@H]1C[C@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819668 340396610 /nfs/dbraw/zinc/39/66/10/340396610.db2.gz ZVUSMHWZZPHPQN-RHSMWYFYSA-N 0 3 300.446 4.697 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2cccs2)C2CCCC2)cc1F ZINC000404618870 340405747 /nfs/dbraw/zinc/40/57/47/340405747.db2.gz VSRGIJZUIBGYKR-GOSISDBHSA-N 0 3 314.429 4.780 20 30 DJEDHN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000190818379 340547254 /nfs/dbraw/zinc/54/72/54/340547254.db2.gz LZUIMCJVYDQCKF-ZDUSSCGKSA-N 0 3 318.342 4.736 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 ZINC000036991800 340729507 /nfs/dbraw/zinc/72/95/07/340729507.db2.gz CEBDSASUVWPUMX-NEPJUHHUSA-N 0 3 302.780 4.763 20 30 DJEDHN C=CCC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000537950247 340792687 /nfs/dbraw/zinc/79/26/87/340792687.db2.gz NYWZHQKGXXJJAA-BEFAXECRSA-N 0 3 310.397 4.953 20 30 DJEDHN CC(C)(C)[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000538232709 340814353 /nfs/dbraw/zinc/81/43/53/340814353.db2.gz GSWOIKHKUOMOFB-GOSISDBHSA-N 0 3 314.379 4.713 20 30 DJEDHN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(C#N)cc1 ZINC000538393895 340820501 /nfs/dbraw/zinc/82/05/01/340820501.db2.gz UQPPPPCJPLSLQF-LAPQFRIASA-N 0 3 308.400 4.672 20 30 DJEDHN C[C@H](N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(C#N)c1 ZINC000539494201 340887130 /nfs/dbraw/zinc/88/71/30/340887130.db2.gz BCNOJFJBFAYWRU-LAPQFRIASA-N 0 3 308.400 4.672 20 30 DJEDHN C=CC[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000540170956 340920142 /nfs/dbraw/zinc/92/01/42/340920142.db2.gz NIIZAUCLBFWFTP-VHSXEESVSA-N 0 3 321.314 4.505 20 30 DJEDHN C=C(C)CN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000540352143 340928088 /nfs/dbraw/zinc/92/80/88/340928088.db2.gz LVOXIQJLCFBFGC-MRXNPFEDSA-N 0 3 311.425 4.501 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@H](CC(C)C)c1cccs1 ZINC000542556665 341013400 /nfs/dbraw/zinc/01/34/00/341013400.db2.gz UJHKVOKRDPMTDM-MRXNPFEDSA-N 0 3 314.454 4.505 20 30 DJEDHN C=CCCC[C@@H](C)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565307 341013966 /nfs/dbraw/zinc/01/39/66/341013966.db2.gz OVWLSGISKWCHIU-MNOVXSKESA-N 0 3 306.397 4.947 20 30 DJEDHN Cc1cccc(C(C)(C)NCc2cccc(OCCCC#N)c2)c1 ZINC000130443377 341022012 /nfs/dbraw/zinc/02/20/12/341022012.db2.gz ZUMMTEPFJQHEPF-UHFFFAOYSA-N 0 3 322.452 4.703 20 30 DJEDHN C=CCSCCN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000542827140 341022518 /nfs/dbraw/zinc/02/25/18/341022518.db2.gz PKGOPGMLPMHIMK-CYBMUJFWSA-N 0 3 318.511 4.688 20 30 DJEDHN N#CCc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543186560 341035833 /nfs/dbraw/zinc/03/58/33/341035833.db2.gz WGWWFCKPJSNACP-NRFANRHFSA-N 0 3 322.427 4.913 20 30 DJEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872193 341143725 /nfs/dbraw/zinc/14/37/25/341143725.db2.gz XBHHRJHUHAYABV-OAGGEKHMSA-N 0 3 310.363 4.623 20 30 DJEDHN COc1ccc([C@H](CCC#N)NC[C@H](C)c2cccc(C)c2)cc1 ZINC000546308619 341162585 /nfs/dbraw/zinc/16/25/85/341162585.db2.gz NKKRVHWSUXXFDS-UWJYYQICSA-N 0 3 322.452 4.742 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](CC)CC(F)(F)F)cc1Cl ZINC000546881039 341185355 /nfs/dbraw/zinc/18/53/55/341185355.db2.gz ZHNJFEWCFXFYJW-LBPRGKRZSA-N 0 3 321.770 4.725 20 30 DJEDHN CCOc1ccccc1[C@H](CC(C)C)NCc1cccc(C#N)c1 ZINC000236997593 341205662 /nfs/dbraw/zinc/20/56/62/341205662.db2.gz ZSLCWXAGKGWMIE-FQEVSTJZSA-N 0 3 322.452 4.834 20 30 DJEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc2ccccc21 ZINC000136232061 341255426 /nfs/dbraw/zinc/25/54/26/341255426.db2.gz VVMDZWLBVFQNDX-CQSZACIVSA-N 0 3 304.368 4.701 20 30 DJEDHN C[C@H](NCC1CC(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549227225 341289095 /nfs/dbraw/zinc/28/90/95/341289095.db2.gz TYEXLTJMJBMFRS-NXVRBGIVSA-N 0 3 308.400 4.542 20 30 DJEDHN C[C@H](c1ccc(Cl)cc1)N(Cc1cccc(C#N)c1)C1CC1 ZINC000550351053 341315521 /nfs/dbraw/zinc/31/55/21/341315521.db2.gz UXSDYSORHDMWSY-CQSZACIVSA-N 0 3 310.828 4.937 20 30 DJEDHN C=CCC[C@@H](NCCc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000550857087 341324700 /nfs/dbraw/zinc/32/47/00/341324700.db2.gz NKENJXYKAHWCMJ-CQSZACIVSA-N 0 3 324.346 4.533 20 30 DJEDHN CCOc1cccc2cc([C@H](C)N[C@@H]3CCC[C@@H](C#N)C3)oc21 ZINC000248826205 341387801 /nfs/dbraw/zinc/38/78/01/341387801.db2.gz LYIVWRVSICIOGO-SQWLQELKSA-N 0 3 312.413 4.564 20 30 DJEDHN CCOc1ccccc1[C@H](CC)N[C@H]1CCc2ccc(C#N)cc21 ZINC000574489889 341760233 /nfs/dbraw/zinc/76/02/33/341760233.db2.gz YXGFMPKUWJBKCO-PMACEKPBSA-N 0 3 320.436 4.685 20 30 DJEDHN C=CCOc1ccc(CNCc2ccc3sccc3c2)cc1 ZINC000575622966 341800452 /nfs/dbraw/zinc/80/04/52/341800452.db2.gz QJWZGIATSKFYBC-UHFFFAOYSA-N 0 3 309.434 4.756 20 30 DJEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000575624590 341800583 /nfs/dbraw/zinc/80/05/83/341800583.db2.gz GPNWSFUXYYIUJO-WOJBJXKFSA-N 0 3 322.839 4.940 20 30 DJEDHN COc1cc(CN[C@@H](C)c2ccc(C(C)C)cc2)ccc1C#N ZINC000577029363 341878452 /nfs/dbraw/zinc/87/84/52/341878452.db2.gz PFXNBUJVVSVIEW-HNNXBMFYSA-N 0 3 308.425 4.541 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2nccc3ccccc32)cc1 ZINC000577803200 341937664 /nfs/dbraw/zinc/93/76/64/341937664.db2.gz GIKTWINRSMXQPL-INIZCTEOSA-N 0 3 318.420 4.650 20 30 DJEDHN CC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1ccc(C#N)cc1 ZINC000285684026 131193792 /nfs/dbraw/zinc/19/37/92/131193792.db2.gz NTMZDZOPUGMWIO-LJQANCHMSA-N 0 3 303.409 4.589 20 30 DJEDHN CCC(CC)[C@H](NCc1cc(C#N)cs1)c1cccs1 ZINC000530879451 331632254 /nfs/dbraw/zinc/63/22/54/331632254.db2.gz OZQXJCNMGUOQGZ-INIZCTEOSA-N 0 3 304.484 4.948 20 30 DJEDHN CCCCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000556589263 331718771 /nfs/dbraw/zinc/71/87/71/331718771.db2.gz RFVXMOCLUBTTCN-INIZCTEOSA-N 0 3 308.425 4.588 20 30 DJEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(OCc2ccccc2)c1 ZINC000558116280 331877289 /nfs/dbraw/zinc/87/72/89/331877289.db2.gz IIJCXZSLCINDKQ-KRWDZBQOSA-N 0 3 322.452 4.856 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000426287933 332012938 /nfs/dbraw/zinc/01/29/38/332012938.db2.gz HNXDRDKDGLVHES-RTWAWAEBSA-N 0 3 302.421 4.521 20 30 DJEDHN CCc1nc(C)c([C@H](C)N(C)CCCCC(C)(C)C#N)s1 ZINC000409446896 332032449 /nfs/dbraw/zinc/03/24/49/332032449.db2.gz MMKGAUFXPMCODV-AWEZNQCLSA-N 0 3 307.507 4.727 20 30 DJEDHN CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664950 332092262 /nfs/dbraw/zinc/09/22/62/332092262.db2.gz LOQQGWCBJUUJHL-WOJBJXKFSA-N 0 3 320.436 4.707 20 30 DJEDHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000569558602 332138408 /nfs/dbraw/zinc/13/84/08/332138408.db2.gz ZMKYNNXDJUPVBF-MGPUTAFESA-N 0 3 320.436 4.604 20 30 DJEDHN C=C(C)COc1cc(CN[C@H](C)c2cccs2)ccc1OC ZINC000237174256 332318129 /nfs/dbraw/zinc/31/81/29/332318129.db2.gz BCPHWZGHKYRLGA-CQSZACIVSA-N 0 3 317.454 4.562 20 30 DJEDHN CC1(C)CC[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000560261537 332325053 /nfs/dbraw/zinc/32/50/53/332325053.db2.gz ZMXXMDIIYSGPCP-HXUWFJFHSA-N 0 3 316.448 4.950 20 30 DJEDHN Cc1ccc(C)c2c1CCC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000560261385 332325091 /nfs/dbraw/zinc/32/50/91/332325091.db2.gz NPKKPNVMQRCSGR-FQEVSTJZSA-N 0 3 316.448 4.831 20 30 DJEDHN Cc1cccnc1[C@H](NCc1ccccc1C(C)(C)C#N)C(C)C ZINC000135233918 332617235 /nfs/dbraw/zinc/61/72/35/332617235.db2.gz DCUWEDAKPXOZAK-LJQANCHMSA-N 0 3 321.468 4.678 20 30 DJEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000182587711 333043123 /nfs/dbraw/zinc/04/31/23/333043123.db2.gz PPTKFDMBCCGSCZ-KRWDZBQOSA-N 0 3 302.780 4.592 20 30 DJEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000180551649 333163135 /nfs/dbraw/zinc/16/31/35/333163135.db2.gz AOLGIVFKQZDBDO-AWEZNQCLSA-N 0 3 320.845 4.545 20 30 DJEDHN C=CCC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043344 333175093 /nfs/dbraw/zinc/17/50/93/333175093.db2.gz WLDSWQIAAOCIDB-UTKZUKDTSA-N 0 3 320.436 4.947 20 30 DJEDHN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCCCC#N ZINC000184088267 333191743 /nfs/dbraw/zinc/19/17/43/333191743.db2.gz HONCRNITSVXOMM-NSHDSACASA-N 0 3 319.861 4.726 20 30 DJEDHN CC[C@@H](NCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185923484 333216088 /nfs/dbraw/zinc/21/60/88/333216088.db2.gz MEUWBNMQTDIVDJ-SNVBAGLBSA-N 0 3 319.396 4.533 20 30 DJEDHN CCOc1ccccc1CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000497619293 333270540 /nfs/dbraw/zinc/27/05/40/333270540.db2.gz RSJYWVFZZSUVHB-MRXNPFEDSA-N 0 3 308.425 4.540 20 30 DJEDHN C[C@@H](NCc1ccc(Cl)c2cccnc12)c1ccc(C#N)cc1 ZINC000391169568 333422288 /nfs/dbraw/zinc/42/22/88/333422288.db2.gz FKASXYPOCPQCCA-CYBMUJFWSA-N 0 3 321.811 4.611 20 30 DJEDHN C[C@@H](Cc1cccc(Cl)c1)N[C@@H](CCC#N)c1ccccc1 ZINC000338446099 333487989 /nfs/dbraw/zinc/48/79/89/333487989.db2.gz RLDVCWSEEJZXHV-KXBFYZLASA-N 0 3 312.844 4.906 20 30 DJEDHN C[C@H](Cc1cccc(Cl)c1)N[C@H](CCC#N)c1ccccc1 ZINC000338446095 333488001 /nfs/dbraw/zinc/48/80/01/333488001.db2.gz RLDVCWSEEJZXHV-DNVCBOLYSA-N 0 3 312.844 4.906 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000531538027 333534222 /nfs/dbraw/zinc/53/42/22/333534222.db2.gz LYOCDUQVJWYSKT-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc2ncsc2c1 ZINC000411563267 333692087 /nfs/dbraw/zinc/69/20/87/333692087.db2.gz QKPZNABHDUQOSZ-AWEZNQCLSA-N 0 3 313.470 4.811 20 30 DJEDHN CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280095485 334114227 /nfs/dbraw/zinc/11/42/27/334114227.db2.gz MSQFJDFTUDWGBY-MOPGFXCFSA-N 0 3 308.425 4.786 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431006 334198552 /nfs/dbraw/zinc/19/85/52/334198552.db2.gz BIUYFQHVEFLCRE-OXJNMPFZSA-N 0 3 303.409 4.644 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441762 334202322 /nfs/dbraw/zinc/20/23/22/334202322.db2.gz DLUZMAQLLPCUOP-YWZLYKJASA-N 0 3 321.399 4.783 20 30 DJEDHN Cc1nc(C)c([C@H](C)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000340446027 334203487 /nfs/dbraw/zinc/20/34/87/334203487.db2.gz NDLUNSBIHXTLSA-YOEHRIQHSA-N 0 3 313.470 4.846 20 30 DJEDHN N#CCCC[C@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449735 334205469 /nfs/dbraw/zinc/20/54/69/334205469.db2.gz WOPUXYNTLCBNGJ-VQTJNVASSA-N 0 3 308.400 4.838 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453942 334206578 /nfs/dbraw/zinc/20/65/78/334206578.db2.gz SDULXHZBBYZFKE-UZLBHIALSA-N 0 3 303.409 4.644 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453052 334206829 /nfs/dbraw/zinc/20/68/29/334206829.db2.gz RBFVHQYRRBYEMI-YJBOKZPZSA-N 0 3 322.408 4.501 20 30 DJEDHN COc1cccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000340456236 334207073 /nfs/dbraw/zinc/20/70/73/334207073.db2.gz WLERZWOASPPUSO-JXFKEZNVSA-N 0 3 308.425 4.781 20 30 DJEDHN CCc1cccnc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340455050 334207258 /nfs/dbraw/zinc/20/72/58/334207258.db2.gz UREKOVUCRZNSPC-LPHOPBHVSA-N 0 3 307.441 4.730 20 30 DJEDHN COc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000340454924 334207285 /nfs/dbraw/zinc/20/72/85/334207285.db2.gz TUYATOQSSNYZTI-OXQOHEQNSA-N 0 3 308.425 4.781 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340457996 334207626 /nfs/dbraw/zinc/20/76/26/334207626.db2.gz XEWVUTHPNAHOSL-XLIONFOSSA-N 0 3 321.468 4.838 20 30 DJEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)sc1Cl ZINC000296464341 334234343 /nfs/dbraw/zinc/23/43/43/334234343.db2.gz NKXSUVLAQXZXPR-UTLUCORTSA-N 0 3 303.258 4.788 20 30 DJEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Oc2ccccc2)cn1 ZINC000296571354 334235148 /nfs/dbraw/zinc/23/51/48/334235148.db2.gz SXNRUKDTOCDQFP-IKGGRYGDSA-N 0 3 321.424 4.607 20 30 DJEDHN CC[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000453289760 334248769 /nfs/dbraw/zinc/24/87/69/334248769.db2.gz ITWPZICKWMJLFY-XEZPLFJOSA-N 0 3 321.262 4.572 20 30 DJEDHN COc1ccccc1-c1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000298856380 334251764 /nfs/dbraw/zinc/25/17/64/334251764.db2.gz IUHGHAJBGXQZKB-JKSUJKDBSA-N 0 3 308.425 4.705 20 30 DJEDHN C=CCOc1ccc(CN[C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000532015786 334372197 /nfs/dbraw/zinc/37/21/97/334372197.db2.gz BRWRREVOKDVGCO-CYBMUJFWSA-N 0 3 315.791 4.572 20 30 DJEDHN C=CCOc1ccc(CN[C@H]2CCCC(F)(F)C2)cc1Cl ZINC000532015787 334372252 /nfs/dbraw/zinc/37/22/52/334372252.db2.gz BRWRREVOKDVGCO-ZDUSSCGKSA-N 0 3 315.791 4.572 20 30 DJEDHN C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000341681617 334466211 /nfs/dbraw/zinc/46/62/11/334466211.db2.gz HBDZVKWAWLOUHF-XMDBHEJHSA-N 0 3 302.421 4.774 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)c(Cl)c1 ZINC000341696358 334471160 /nfs/dbraw/zinc/47/11/60/334471160.db2.gz FBGLQROMENDSHS-GOSISDBHSA-N 0 3 314.791 4.518 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2ccccc21 ZINC000341756620 334477312 /nfs/dbraw/zinc/47/73/12/334477312.db2.gz GAAPRJNFTWVSJG-RTWAWAEBSA-N 0 3 302.421 4.603 20 30 DJEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000341760832 334478212 /nfs/dbraw/zinc/47/82/12/334478212.db2.gz MTCVUCOACGAFAZ-SFTDATJTSA-N 0 3 320.436 4.685 20 30 DJEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC000417376895 334765543 /nfs/dbraw/zinc/76/55/43/334765543.db2.gz CQGXEOWGNSIHNJ-CWTRNNRKSA-N 0 3 312.363 4.565 20 30 DJEDHN CC(C)(C#N)CCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000444671802 338481166 /nfs/dbraw/zinc/48/11/66/338481166.db2.gz FARIDZQUYUYUHY-UHFFFAOYSA-N 0 3 306.400 4.654 20 30 DJEDHN CC(C)[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000093492226 335652780 /nfs/dbraw/zinc/65/27/80/335652780.db2.gz WUJNZKDJCRKZNY-INIZCTEOSA-N 0 3 304.846 4.760 20 30 DJEDHN CC(C)(C#N)CCCN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000532159713 335906270 /nfs/dbraw/zinc/90/62/70/335906270.db2.gz ZZVRVLIZJOMRPV-KRWDZBQOSA-N 0 3 316.445 4.896 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000351061903 336009832 /nfs/dbraw/zinc/00/98/32/336009832.db2.gz HVVBKCQFKWBCEJ-FQEVSTJZSA-N 0 3 320.436 4.588 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000192936261 336285197 /nfs/dbraw/zinc/28/51/97/336285197.db2.gz FQRZQEYPKWXYHQ-KGLIPLIRSA-N 0 3 314.816 4.654 20 30 DJEDHN COc1cc(CN[C@@H](CCCC#N)c2ccccc2)ccc1C ZINC000353896327 336446442 /nfs/dbraw/zinc/44/64/42/336446442.db2.gz FSIMEEBXUCDURH-IBGZPJMESA-N 0 3 308.425 4.528 20 30 DJEDHN CC[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721235 337017777 /nfs/dbraw/zinc/01/77/77/337017777.db2.gz VDAUONPGKHRPGE-ACRUOGEOSA-N 0 3 320.436 4.519 20 30 DJEDHN N#CCCCCN[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000178640820 337165779 /nfs/dbraw/zinc/16/57/79/337165779.db2.gz FIDTVINCXZXZMZ-SNVBAGLBSA-N 0 3 303.258 4.716 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000248740913 337567125 /nfs/dbraw/zinc/56/71/25/337567125.db2.gz FBRGAZSEWFZLPB-ZLDLUXBVSA-N 0 3 306.862 4.549 20 30 DJEDHN C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850737 337769028 /nfs/dbraw/zinc/76/90/28/337769028.db2.gz KLRNHWXQSDVMPG-VOJFVSQTSA-N 0 3 314.791 4.689 20 30 DJEDHN C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850731 337769052 /nfs/dbraw/zinc/76/90/52/337769052.db2.gz KLRNHWXQSDVMPG-ADLMAVQZSA-N 0 3 314.791 4.689 20 30 DJEDHN CC[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962032 337780261 /nfs/dbraw/zinc/78/02/61/337780261.db2.gz DJQCVFZCFJVNHV-ICSRJNTNSA-N 0 3 305.425 4.535 20 30 DJEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2ccccc2)cc1 ZINC000424329104 337821610 /nfs/dbraw/zinc/82/16/10/337821610.db2.gz OZORGGMXRSZCMT-IMFGXOCKSA-N 0 3 320.436 4.608 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000514893429 337973503 /nfs/dbraw/zinc/97/35/03/337973503.db2.gz HNXDRDKDGLVHES-LEWJYISDSA-N 0 3 302.421 4.521 20 30 DJEDHN CC[C@H](NCC1(CC#N)CC1)c1ccc2cc(OC)ccc2c1 ZINC000430722397 338112368 /nfs/dbraw/zinc/11/23/68/338112368.db2.gz GEBSGHJJDNQQCZ-IBGZPJMESA-N 0 3 308.425 4.583 20 30 DJEDHN Cc1ccc([C@H](NCC2(CC#N)CC2)c2ccccc2)c(C)c1 ZINC000430727236 338112522 /nfs/dbraw/zinc/11/25/22/338112522.db2.gz XTJQBUVLAXLRQP-HXUWFJFHSA-N 0 3 304.437 4.676 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000430733233 338112706 /nfs/dbraw/zinc/11/27/06/338112706.db2.gz DZLGSWQUKRSHON-MRXNPFEDSA-N 0 3 306.409 4.823 20 30 DJEDHN Cc1ccc(C)c([C@H](NCC2(CC#N)CC2)c2ccccc2)c1 ZINC000430751008 338113602 /nfs/dbraw/zinc/11/36/02/338113602.db2.gz RKXJXNPUNYZIHJ-HXUWFJFHSA-N 0 3 304.437 4.676 20 30 DJEDHN CCCCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430763078 338114089 /nfs/dbraw/zinc/11/40/89/338114089.db2.gz PFYUCUMAPZCDBD-MRXNPFEDSA-N 0 3 300.446 4.600 20 30 DJEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433241979 338187489 /nfs/dbraw/zinc/18/74/89/338187489.db2.gz FOPCRURLOSLEOA-GFCCVEGCSA-N 0 3 302.780 4.544 20 30 DJEDHN N#CC1CCC(CNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000441383886 338411190 /nfs/dbraw/zinc/41/11/90/338411190.db2.gz UGHRFWODWQZTBF-UHFFFAOYSA-N 0 3 315.219 4.552 20 30 DJEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777740 338430580 /nfs/dbraw/zinc/43/05/80/338430580.db2.gz AAZFYUTWJSHOTL-MDASCCDHSA-N 0 3 310.828 4.711 20 30 DJEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(Oc2ccccc2)c1 ZINC000442796374 338432159 /nfs/dbraw/zinc/43/21/59/338432159.db2.gz VMSQJEXLQRPRDL-SJLPKXTDSA-N 0 3 306.409 4.569 20 30 DJEDHN CC[C@@H](N[C@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539878 338555460 /nfs/dbraw/zinc/55/54/60/338555460.db2.gz HZNDKEWQDAROOZ-RTWAWAEBSA-N 0 3 320.436 4.759 20 30 DJEDHN CC[C@H](NCc1oc2ccc(F)cc2c1C)c1ccc(C#N)cc1 ZINC000447544703 338555830 /nfs/dbraw/zinc/55/58/30/338555830.db2.gz OXLWSIGKENNDQE-SFHVURJKSA-N 0 3 322.383 4.993 20 30 DJEDHN CC[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447585108 338559475 /nfs/dbraw/zinc/55/94/75/338559475.db2.gz IDUNAZQYZUTPML-JHVJFLLYSA-N 0 3 304.437 4.923 20 30 DJEDHN C=CCCCC[C@H](C)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000449221813 338603707 /nfs/dbraw/zinc/60/37/07/338603707.db2.gz HHYBBVJCAOYXSC-LSDHHAIUSA-N 0 3 315.486 4.991 20 30 DJEDHN N#Cc1csc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000449454589 338626200 /nfs/dbraw/zinc/62/62/00/338626200.db2.gz ZVPFJRMVDKLKCZ-MRXNPFEDSA-N 0 3 320.820 4.653 20 30 DJEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(C2CC2)c1 ZINC000453247709 338813826 /nfs/dbraw/zinc/81/38/26/338813826.db2.gz OQCGRTBNVDWHJO-LHSJRXKWSA-N 0 3 302.421 4.774 20 30 DJEDHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)ccc1F ZINC000453264541 338815975 /nfs/dbraw/zinc/81/59/75/338815975.db2.gz VWUGOVGTCVRMIS-OLZOCXBDSA-N 0 3 300.352 4.557 20 30 DJEDHN N#Cc1ccc(C2=CCN(Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000461392839 339062792 /nfs/dbraw/zinc/06/27/92/339062792.db2.gz ZBDGLPUKJHZLOZ-UHFFFAOYSA-N 0 3 324.374 4.785 20 30 DJEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(C2CCCCC2)cc1 ZINC000462029145 339070989 /nfs/dbraw/zinc/07/09/89/339070989.db2.gz HGLYOCCMKUQWOX-HNAYVOBHSA-N 0 3 312.457 4.707 20 30 DJEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000462553743 339081290 /nfs/dbraw/zinc/08/12/90/339081290.db2.gz QJSSXUKKINGFII-PKOBYXMFSA-N 0 3 310.466 4.669 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CCC[C@H]1C)c1cccc(C#N)c1 ZINC000462842223 339093814 /nfs/dbraw/zinc/09/38/14/339093814.db2.gz XMIFERHVXSUJOJ-XFQAVAEZSA-N 0 3 304.437 4.923 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237131 339110953 /nfs/dbraw/zinc/11/09/53/339110953.db2.gz KFKBCVWRKZWVNS-LQWHRVPQSA-N 0 3 322.427 4.781 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236961 339111025 /nfs/dbraw/zinc/11/10/25/339111025.db2.gz KJRCUKKQRSARAR-ALKREAHSSA-N 0 3 300.421 4.729 20 30 DJEDHN CC(C)(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000463239238 339111171 /nfs/dbraw/zinc/11/11/71/339111171.db2.gz VBMADKFRNDCPHQ-DXCKQFNASA-N 0 3 306.400 4.724 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288813 339113501 /nfs/dbraw/zinc/11/35/01/339113501.db2.gz QDGMLEPOCUFASN-HFAKWTLXSA-N 0 3 309.240 4.653 20 30 DJEDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000463298601 339114045 /nfs/dbraw/zinc/11/40/45/339114045.db2.gz DOMKWULITBTEHZ-YLJYHZDGSA-N 0 3 320.436 4.534 20 30 DJEDHN Cc1ccccc1[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000467421566 339237695 /nfs/dbraw/zinc/23/76/95/339237695.db2.gz YGKOGYAAQBFDOA-XIRDDKMYSA-N 0 3 308.400 4.603 20 30 DJEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476282 339263699 /nfs/dbraw/zinc/26/36/99/339263699.db2.gz SBTLPHXCZLXPSG-IOASZLSFSA-N 0 3 311.256 4.911 20 30 DJEDHN Cc1cccc(C(N[C@@H]2CC[C@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597778 339348733 /nfs/dbraw/zinc/34/87/33/339348733.db2.gz HGYUOQLEMSHBFC-FXAWDEMLSA-N 0 3 304.437 4.675 20 30 DJEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606612 339349150 /nfs/dbraw/zinc/34/91/50/339349150.db2.gz OIPQYUNDIBSKGX-LSTHTHJFSA-N 0 3 324.855 4.906 20 30 DJEDHN CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000472126188 339363610 /nfs/dbraw/zinc/36/36/10/339363610.db2.gz MNRTUUIIJBUDHI-RTBURBONSA-N 0 3 319.452 4.626 20 30 DJEDHN N#C[C@H]1CC[C@H](NCc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155456 339364676 /nfs/dbraw/zinc/36/46/76/339364676.db2.gz LVWSVIWZJHWZCS-IRXDYDNUSA-N 0 3 308.450 4.620 20 30 DJEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155454 339364691 /nfs/dbraw/zinc/36/46/91/339364691.db2.gz LVWSVIWZJHWZCS-IAGOWNOFSA-N 0 3 308.450 4.620 20 30 DJEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000474056672 339399610 /nfs/dbraw/zinc/39/96/10/339399610.db2.gz LSIDVFCIERRLFI-VBKZILBWSA-N 0 3 320.436 4.640 20 30 DJEDHN COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000474056677 339399634 /nfs/dbraw/zinc/39/96/34/339399634.db2.gz LSIDVFCIERRLFI-VLIAUNLRSA-N 0 3 320.436 4.640 20 30 DJEDHN C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483637515 339670268 /nfs/dbraw/zinc/67/02/68/339670268.db2.gz HTDYIPJHXBXUCZ-HIFRSBDPSA-N 0 3 317.408 4.580 20 30 DJEDHN CC(C)(C#N)CCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500174628 340052057 /nfs/dbraw/zinc/05/20/57/340052057.db2.gz WYXLAMURVGBVKZ-UHFFFAOYSA-N 0 3 308.828 4.540 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000501238079 340076894 /nfs/dbraw/zinc/07/68/94/340076894.db2.gz XRELQYGCJQMFGM-OAQYLSRUSA-N 0 3 320.436 4.588 20 30 DJEDHN C[C@@H](c1ccc(F)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513185 340106575 /nfs/dbraw/zinc/10/65/75/340106575.db2.gz WNLKBJZZIMLMMO-HNNXBMFYSA-N 0 3 306.384 4.548 20 30 DJEDHN Cc1ccccc1[C@@]1(F)CCN(CCCCC(C)(C)C#N)C1 ZINC000502953185 340117521 /nfs/dbraw/zinc/11/75/21/340117521.db2.gz PQFSUHVSLLTFTA-LJQANCHMSA-N 0 3 302.437 4.586 20 30 DJEDHN C=CCOc1cccc(CNC2(c3ccccc3)CCCC2)c1 ZINC000506314623 340192056 /nfs/dbraw/zinc/19/20/56/340192056.db2.gz LXXXYJAFJLOXLV-UHFFFAOYSA-N 0 3 307.437 4.811 20 30 DJEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507615747 340226377 /nfs/dbraw/zinc/22/63/77/340226377.db2.gz AXKBDOMIFHWPFH-KGLIPLIRSA-N 0 3 313.894 4.595 20 30 DJEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCO[C@H](CC)C1 ZINC000507615749 340226412 /nfs/dbraw/zinc/22/64/12/340226412.db2.gz AXKBDOMIFHWPFH-UONOGXRCSA-N 0 3 313.894 4.595 20 30 DJEDHN N#Cc1csc(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000508009074 340237318 /nfs/dbraw/zinc/23/73/18/340237318.db2.gz NHVSRSDWCDCYTL-LJQANCHMSA-N 0 3 308.450 4.662 20 30 DJEDHN CCCN(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000508607686 340247986 /nfs/dbraw/zinc/24/79/86/340247986.db2.gz BWACDZNJLWCCOD-INIZCTEOSA-N 0 3 308.425 4.540 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000508618139 340248384 /nfs/dbraw/zinc/24/83/84/340248384.db2.gz IZXKXMHQNAOHJB-UHFFFAOYSA-N 0 3 315.420 4.519 20 30 DJEDHN C=C(C)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000510954203 340316136 /nfs/dbraw/zinc/31/61/36/340316136.db2.gz WAEDWIRWOFLIDG-UHFFFAOYSA-N 0 3 323.465 4.609 20 30 DJEDHN CCN(CCSc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000303538386 340331646 /nfs/dbraw/zinc/33/16/46/340331646.db2.gz JAQBWQQNPGRKJV-INIZCTEOSA-N 0 3 310.466 4.733 20 30 DJEDHN C[C@@H](NC[C@H](C)Sc1ccccc1)c1ccc(C#N)cc1F ZINC000512665141 340371891 /nfs/dbraw/zinc/37/18/91/340371891.db2.gz DRIGBMXDHZGYSJ-UONOGXRCSA-N 0 3 314.429 4.529 20 30 DJEDHN CCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000191029143 340549228 /nfs/dbraw/zinc/54/92/28/340549228.db2.gz ZCRZAGCWUHSSTF-MRXNPFEDSA-N 0 3 308.425 4.506 20 30 DJEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000192149825 340563188 /nfs/dbraw/zinc/56/31/88/340563188.db2.gz ZTNUCBFAANAHIU-KRWDZBQOSA-N 0 3 302.780 4.592 20 30 DJEDHN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000538393896 340820472 /nfs/dbraw/zinc/82/04/72/340820472.db2.gz UQPPPPCJPLSLQF-PJSUUKDQSA-N 0 3 308.400 4.672 20 30 DJEDHN C[C@H](NCc1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000539606365 340892212 /nfs/dbraw/zinc/89/22/12/340892212.db2.gz BSGVCKUXBPQLSF-AWEZNQCLSA-N 0 3 304.368 4.701 20 30 DJEDHN N#CCc1ccc(CNC2(c3ccccc3)CCCCC2)cc1 ZINC000543136926 341033526 /nfs/dbraw/zinc/03/35/26/341033526.db2.gz CVMCXRWJBJXJFR-UHFFFAOYSA-N 0 3 304.437 4.702 20 30 DJEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183257 341035636 /nfs/dbraw/zinc/03/56/36/341035636.db2.gz LRLDXWJONRIPRG-UAOJZALGSA-N 0 3 324.855 4.893 20 30 DJEDHN C[C@@H]1C[C@@H]1[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183258 341035757 /nfs/dbraw/zinc/03/57/57/341035757.db2.gz LRLDXWJONRIPRG-VOBQZIQPSA-N 0 3 324.855 4.893 20 30 DJEDHN N#CCc1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000543207693 341036942 /nfs/dbraw/zinc/03/69/42/341036942.db2.gz IAASNVQDXNXWOL-HXUWFJFHSA-N 0 3 308.400 4.619 20 30 DJEDHN C[C@@H](N[C@@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602134 341050731 /nfs/dbraw/zinc/05/07/31/341050731.db2.gz GRCFCZKRSJWTIA-BFUOFWGJSA-N 0 3 310.828 4.940 20 30 DJEDHN N#CCC1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000543779932 341058443 /nfs/dbraw/zinc/05/84/43/341058443.db2.gz JIPCRIBBAGFHAC-UHFFFAOYSA-N 0 3 314.816 4.726 20 30 DJEDHN N#CCCCN[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000544384905 341079531 /nfs/dbraw/zinc/07/95/31/341079531.db2.gz GOBPWKWEUOBZFY-SFHVURJKSA-N 0 3 316.807 4.656 20 30 DJEDHN COc1ccc([C@@H](CCC#N)NC[C@H](C)c2cccc(C)c2)cc1 ZINC000546308617 341162581 /nfs/dbraw/zinc/16/25/81/341162581.db2.gz NKKRVHWSUXXFDS-LAUBAEHRSA-N 0 3 322.452 4.742 20 30 DJEDHN C=CCCN[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000547749540 341230215 /nfs/dbraw/zinc/23/02/15/341230215.db2.gz JQSGMPHTHXOPAJ-LBPRGKRZSA-N 0 3 311.269 4.865 20 30 DJEDHN C[C@@H](NCC1CC(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549227190 341289107 /nfs/dbraw/zinc/28/91/07/341289107.db2.gz TYEXLTJMJBMFRS-MXWWQKGMSA-N 0 3 308.400 4.542 20 30 DJEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000551007123 341329014 /nfs/dbraw/zinc/32/90/14/341329014.db2.gz LKTHVHWGSQRBBJ-AWEZNQCLSA-N 0 3 304.368 4.701 20 30 DJEDHN CC(C)(C)c1ccc(CNC2(c3cccc(C#N)c3)CC2)s1 ZINC000551230158 341334504 /nfs/dbraw/zinc/33/45/04/341334504.db2.gz NIYDAXUBFCCLSS-UHFFFAOYSA-N 0 3 310.466 4.696 20 30 DJEDHN CCCOc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551816527 341352880 /nfs/dbraw/zinc/35/28/80/341352880.db2.gz AELINUYDRIOGFJ-INIZCTEOSA-N 0 3 320.436 4.687 20 30 DJEDHN C=CCC[C@H](NC1CCN(c2ccccc2)CC1)c1ccco1 ZINC000552047039 341364890 /nfs/dbraw/zinc/36/48/90/341364890.db2.gz YKZRVFNKZPTRDK-IBGZPJMESA-N 0 3 310.441 4.546 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](CC)c2cccc(OC)c2)cc1 ZINC000552322782 341386390 /nfs/dbraw/zinc/38/63/90/341386390.db2.gz YNLFJVRVBALRBA-FQEVSTJZSA-N 0 3 311.425 4.501 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038854 341392573 /nfs/dbraw/zinc/39/25/73/341392573.db2.gz UEPKTYMUKMWSKN-XPGWFJOJSA-N 0 3 308.400 4.587 20 30 DJEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 ZINC000552970667 341411207 /nfs/dbraw/zinc/41/12/07/341411207.db2.gz ZBYQXZPGVTWEMF-BFUOFWGJSA-N 0 3 310.828 4.940 20 30 DJEDHN C[C@@H](NCCC(C)(C)C#N)c1cccc(OCc2ccccc2)c1 ZINC000553906806 341438326 /nfs/dbraw/zinc/43/83/26/341438326.db2.gz IIJCXZSLCINDKQ-QGZVFWFLSA-N 0 3 322.452 4.856 20 30 DJEDHN CC(C)c1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CC2 ZINC000573452805 341728932 /nfs/dbraw/zinc/72/89/32/341728932.db2.gz YHZDKAOAUVAGLV-FCHUYYIVSA-N 0 3 316.448 4.946 20 30 DJEDHN CCc1c2ccccc2oc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000573525733 341730869 /nfs/dbraw/zinc/73/08/69/341730869.db2.gz GKGBQCWXHGXSFJ-HNNXBMFYSA-N 0 3 318.420 4.912 20 30 DJEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000577320047 341904024 /nfs/dbraw/zinc/90/40/24/341904024.db2.gz CFXGLFPFFTWGQI-GFCCVEGCSA-N 0 3 319.235 4.910 20 30 DJEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(-c2cccnc2)cc1 ZINC000177709129 341924593 /nfs/dbraw/zinc/92/45/93/341924593.db2.gz JQZTTYYGZWDSOI-AWEZNQCLSA-N 0 3 319.433 4.533 20 30 DJEDHN C[C@@H](N[C@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839312 525692152 /nfs/dbraw/zinc/69/21/52/525692152.db2.gz JPJGHXMOXGAION-HSMVNMDESA-N 0 3 314.479 4.896 20 30 DJEDHN C[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130431291 525695240 /nfs/dbraw/zinc/69/52/40/525695240.db2.gz JPJGHXMOXGAION-OZVIIMIRSA-N 0 3 314.479 4.896 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000078973538 185138105 /nfs/dbraw/zinc/13/81/05/185138105.db2.gz SGLCAODVSBBAEX-QWHCGFSZSA-N 0 3 316.351 4.571 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1 ZINC000035252876 331490377 /nfs/dbraw/zinc/49/03/77/331490377.db2.gz ZSHKFSGEEGXAKQ-AWEZNQCLSA-N 0 3 301.455 4.781 20 30 DJEDHN C=CCC[C@H](N[C@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950188 331564975 /nfs/dbraw/zinc/56/49/75/331564975.db2.gz MAQMSDFKNSDCKL-PMACEKPBSA-N 0 3 307.437 4.980 20 30 DJEDHN COc1cc(CN[C@@H]2C[C@@H](C(C)C)c3ccccc32)ccc1C#N ZINC000564434497 331788317 /nfs/dbraw/zinc/78/83/17/331788317.db2.gz YBCDFEGSQXJQET-VQTJNVASSA-N 0 3 320.436 4.541 20 30 DJEDHN COc1cc(CN[C@@H](c2ccc(C)cc2)C2CCC2)ccc1C#N ZINC000564438561 331809916 /nfs/dbraw/zinc/80/99/16/331809916.db2.gz KSXICXQMTUAWJY-OAQYLSRUSA-N 0 3 320.436 4.506 20 30 DJEDHN C[C@H](NCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000558506304 331914352 /nfs/dbraw/zinc/91/43/52/331914352.db2.gz YYJVBWQTLUUENB-ZDUSSCGKSA-N 0 3 300.352 4.586 20 30 DJEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OCc1ccccc1 ZINC000559146790 331982116 /nfs/dbraw/zinc/98/21/16/331982116.db2.gz FHGFFUFBCBZHPE-QRQLOZEOSA-N 0 3 320.436 4.608 20 30 DJEDHN Cc1ccc2ccccc2c1CNC1(c2cccc(C#N)c2)CC1 ZINC000560173869 332317032 /nfs/dbraw/zinc/31/70/32/332317032.db2.gz FXTSBFPTUMJWHD-UHFFFAOYSA-N 0 3 312.416 4.799 20 30 DJEDHN N#Cc1csc(CNCc2ccc(C3CCCCC3)cc2)c1 ZINC000560542719 332355629 /nfs/dbraw/zinc/35/56/29/332355629.db2.gz ILLJDLQUWLTWIM-UHFFFAOYSA-N 0 3 310.466 4.957 20 30 DJEDHN C=CCOc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000237845557 332394910 /nfs/dbraw/zinc/39/49/10/332394910.db2.gz BBIWSBIBPNWSHG-UHFFFAOYSA-N 0 3 313.828 4.684 20 30 DJEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000561139557 332416318 /nfs/dbraw/zinc/41/63/18/332416318.db2.gz DTMYKDSELTVUAI-QRQCRPRQSA-N 0 3 316.448 4.775 20 30 DJEDHN CC[C@H](C)c1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000569822846 332683259 /nfs/dbraw/zinc/68/32/59/332683259.db2.gz VPUINAPZZXSMOJ-HRAATJIYSA-N 0 3 321.468 4.954 20 30 DJEDHN CC(C)Oc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000572742636 332698648 /nfs/dbraw/zinc/69/86/48/332698648.db2.gz GGISVHLLJVXGEE-INIZCTEOSA-N 0 3 320.436 4.685 20 30 DJEDHN CC(C)[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000318430454 332721867 /nfs/dbraw/zinc/72/18/67/332721867.db2.gz WFXZQHVRLALGQZ-SFHVURJKSA-N 0 3 316.807 4.838 20 30 DJEDHN CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)cs1 ZINC000462541728 332977638 /nfs/dbraw/zinc/97/76/38/332977638.db2.gz HDYWUEJRQNQZGK-MJGOQNOKSA-N 0 3 310.466 4.669 20 30 DJEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000182421112 333040410 /nfs/dbraw/zinc/04/04/10/333040410.db2.gz FVHPJIPYLXFQHU-NSHDSACASA-N 0 3 322.305 4.567 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540456 333162906 /nfs/dbraw/zinc/16/29/06/333162906.db2.gz WPRZOTFAYAZAPF-IERDGZPVSA-N 0 3 320.436 4.626 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540402 333162908 /nfs/dbraw/zinc/16/29/08/333162908.db2.gz WPRZOTFAYAZAPF-HRAATJIYSA-N 0 3 320.436 4.626 20 30 DJEDHN Cc1cc2c(cc1C)[C@H](NCc1cccc(C#N)c1)CCS2 ZINC000186987738 333383224 /nfs/dbraw/zinc/38/32/24/333383224.db2.gz GSQSCBKDYWNRQN-GOSISDBHSA-N 0 3 308.450 4.502 20 30 DJEDHN C[C@H](Cc1cccc(Cl)c1)N[C@@H](CCC#N)c1ccccc1 ZINC000338446090 333487991 /nfs/dbraw/zinc/48/79/91/333487991.db2.gz RLDVCWSEEJZXHV-BEFAXECRSA-N 0 3 312.844 4.906 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(Cl)sc1Cl ZINC000436291968 333918442 /nfs/dbraw/zinc/91/84/42/333918442.db2.gz AZVOCOXFQGMYDW-NRUUGDAUSA-N 0 3 320.285 4.687 20 30 DJEDHN CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280095489 334114311 /nfs/dbraw/zinc/11/43/11/334114311.db2.gz MSQFJDFTUDWGBY-OALUTQOASA-N 0 3 308.425 4.786 20 30 DJEDHN N#CCCC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000340445127 334203748 /nfs/dbraw/zinc/20/37/48/334203748.db2.gz KNAWGRFPSXMDII-SFTDATJTSA-N 0 3 315.420 4.570 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445189 334203769 /nfs/dbraw/zinc/20/37/69/334203769.db2.gz LVGWQDJSAYKGQS-HRAATJIYSA-N 0 3 320.436 4.803 20 30 DJEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 ZINC000417354528 334707172 /nfs/dbraw/zinc/70/71/72/334707172.db2.gz MBRFOPFPIULSJG-SZNDQCEHSA-N 0 3 302.421 4.774 20 30 DJEDHN N#CCc1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000343675949 335187419 /nfs/dbraw/zinc/18/74/19/335187419.db2.gz BYCJBTGSPBQUKZ-OAQYLSRUSA-N 0 3 304.437 4.774 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2sccc21 ZINC000344135226 335220761 /nfs/dbraw/zinc/22/07/61/335220761.db2.gz PNZDBLLQOFFDEM-ROUUACIJSA-N 0 3 308.450 4.664 20 30 DJEDHN N#CCc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000520406496 335975033 /nfs/dbraw/zinc/97/50/33/335975033.db2.gz ITXVBPACDNDWRS-LJQANCHMSA-N 0 3 310.828 4.573 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000103345380 336240200 /nfs/dbraw/zinc/24/02/00/336240200.db2.gz MLSARUIGHDYIPV-HNNXBMFYSA-N 0 3 310.466 4.910 20 30 DJEDHN C=CCC[C@H](NCc1[nH]ncc1C)c1ccc(C(F)(F)F)cc1 ZINC000352829236 336267210 /nfs/dbraw/zinc/26/72/10/336267210.db2.gz FYDAKOODLRWHLG-HNNXBMFYSA-N 0 3 323.362 4.534 20 30 DJEDHN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980113 336286523 /nfs/dbraw/zinc/28/65/23/336286523.db2.gz WQKWGJCMFBGVDY-CVEARBPZSA-N 0 3 308.425 4.563 20 30 DJEDHN C[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988839 336286670 /nfs/dbraw/zinc/28/66/70/336286670.db2.gz LVLBGLZCYIDHEX-SJCJKPOMSA-N 0 3 312.413 4.585 20 30 DJEDHN CCC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999047 336286761 /nfs/dbraw/zinc/28/67/61/336286761.db2.gz OCMVBZYTMXOVGD-UZLBHIALSA-N 0 3 308.425 4.781 20 30 DJEDHN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000193002571 336286768 /nfs/dbraw/zinc/28/67/68/336286768.db2.gz UUIQRDBLAANWCE-CHWSQXEVSA-N 0 3 318.342 4.989 20 30 DJEDHN C=CCC[C@@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250713 336408225 /nfs/dbraw/zinc/40/82/25/336408225.db2.gz GGPZSOORWXHPLQ-CRAIPNDOSA-N 0 3 311.425 4.759 20 30 DJEDHN N#CCCC[C@@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000353912741 336447481 /nfs/dbraw/zinc/44/74/81/336447481.db2.gz GBZNCMGQQXADEH-HXUWFJFHSA-N 0 3 315.420 4.760 20 30 DJEDHN COCCCC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000359027742 336654038 /nfs/dbraw/zinc/65/40/38/336654038.db2.gz JYVIMWKKWPAIGV-UTKZUKDTSA-N 0 3 322.452 4.767 20 30 DJEDHN C[C@@H](Cc1ccc(Cl)cc1)N[C@H](CCC#N)c1ccccc1 ZINC000359307263 336666866 /nfs/dbraw/zinc/66/68/66/336666866.db2.gz UILHDBDPRAJIOA-HNAYVOBHSA-N 0 3 312.844 4.906 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(F)cc(Cl)c1 ZINC000418137619 336897523 /nfs/dbraw/zinc/89/75/23/336897523.db2.gz BYNLTBREHIEXSU-GOSISDBHSA-N 0 3 314.791 4.518 20 30 DJEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360034585 337084026 /nfs/dbraw/zinc/08/40/26/337084026.db2.gz DMVLVSCONFHVNU-MRXNPFEDSA-N 0 3 311.429 4.685 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722587 337318219 /nfs/dbraw/zinc/31/82/19/337318219.db2.gz FIZRSPFRLGUFQX-SFTDATJTSA-N 0 3 320.411 4.816 20 30 DJEDHN C=CCC(C)(C)CN[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000571779829 337576573 /nfs/dbraw/zinc/57/65/73/337576573.db2.gz WEDKTXFHPRPTSZ-IBGZPJMESA-N 0 3 312.432 4.810 20 30 DJEDHN Cc1ccccc1C(N[C@H]1CC[C@H](C#N)C1)c1ccccc1C ZINC000572019277 337586897 /nfs/dbraw/zinc/58/68/97/337586897.db2.gz SFBMWNZWAQDNLN-ROUUACIJSA-N 0 3 304.437 4.675 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000121840520 337901773 /nfs/dbraw/zinc/90/17/73/337901773.db2.gz SASYDKQTCLPVFI-CHWSQXEVSA-N 0 3 318.342 4.989 20 30 DJEDHN CC1(C)CC[C@@H]2C[C@H](NCc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384444 337934386 /nfs/dbraw/zinc/93/43/86/337934386.db2.gz RQGANHJQEUYBCJ-XLIONFOSSA-N 0 3 316.448 4.948 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2cc(Cl)ccc21 ZINC000515319441 337984810 /nfs/dbraw/zinc/98/48/10/337984810.db2.gz CLSMMRIMUSZJCR-VQTJNVASSA-N 0 3 322.839 4.866 20 30 DJEDHN CCCCOc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000516120987 338005772 /nfs/dbraw/zinc/00/57/72/338005772.db2.gz XFYPMUKPQARDCD-OAQYLSRUSA-N 0 3 320.436 4.514 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000426293974 338025157 /nfs/dbraw/zinc/02/51/57/338025157.db2.gz ZQKRFRHNQPCZGG-JLTOFOAXSA-N 0 3 308.400 4.734 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000430723798 338112371 /nfs/dbraw/zinc/11/23/71/338112371.db2.gz KTOVSQZTCOXEOJ-OAHLLOKOSA-N 0 3 324.399 4.962 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000430744517 338113169 /nfs/dbraw/zinc/11/31/69/338113169.db2.gz NYMDJTOJYRQUBB-ZDUSSCGKSA-N 0 3 314.429 4.899 20 30 DJEDHN N#CCC[C@@H](NCCSCc1ccccc1)c1ccccc1 ZINC000430776297 338114672 /nfs/dbraw/zinc/11/46/72/338114672.db2.gz OUKNYARMIYHFHJ-LJQANCHMSA-N 0 3 310.466 4.554 20 30 DJEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432010193 338143632 /nfs/dbraw/zinc/14/36/32/338143632.db2.gz ALNHAKCSXRNEJP-QGZVFWFLSA-N 0 3 306.400 4.822 20 30 DJEDHN N#CCCC[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000433014476 338176270 /nfs/dbraw/zinc/17/62/70/338176270.db2.gz SDNCDWQUDSSDLB-HXUWFJFHSA-N 0 3 322.839 4.716 20 30 DJEDHN CN(CCSCCCCC(C)(C)C#N)Cc1ccccc1 ZINC000433019882 338176572 /nfs/dbraw/zinc/17/65/72/338176572.db2.gz QEZYCCJRZWBEOC-UHFFFAOYSA-N 0 3 304.503 4.572 20 30 DJEDHN CSc1ccccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433027218 338176982 /nfs/dbraw/zinc/17/69/82/338176982.db2.gz UBZGENKTZINLML-SFHVURJKSA-N 0 3 310.466 4.933 20 30 DJEDHN CC(C)(C#N)CCCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313870 338191687 /nfs/dbraw/zinc/19/16/87/338191687.db2.gz SHBNIQWYBPWUMB-INIZCTEOSA-N 0 3 304.865 4.849 20 30 DJEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1cc(C#N)cs1 ZINC000435295802 338236604 /nfs/dbraw/zinc/23/66/04/338236604.db2.gz CLGJQZFCEFAZNS-KRWDZBQOSA-N 0 3 302.418 4.588 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000154328251 338241357 /nfs/dbraw/zinc/24/13/57/338241357.db2.gz OWSXKWUFGWZFLQ-KGLIPLIRSA-N 0 3 310.466 4.910 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000435664740 338244638 /nfs/dbraw/zinc/24/46/38/338244638.db2.gz NQWFEYZRYISYAX-MKBNYLNASA-N 0 3 314.256 4.625 20 30 DJEDHN CC[C@@H](NCc1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000447531884 338554564 /nfs/dbraw/zinc/55/45/64/338554564.db2.gz UAHRQPVYHWXELT-LJQANCHMSA-N 0 3 308.425 4.586 20 30 DJEDHN CC[C@@H](NCc1oc2ccc(F)cc2c1C)c1ccc(C#N)cc1 ZINC000447544702 338555884 /nfs/dbraw/zinc/55/58/84/338555884.db2.gz OXLWSIGKENNDQE-GOSISDBHSA-N 0 3 322.383 4.993 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000447592961 338560496 /nfs/dbraw/zinc/56/04/96/338560496.db2.gz OYZNZWIZUVVYCK-RTBURBONSA-N 0 3 324.399 4.652 20 30 DJEDHN C=CCC[C@H](NCc1ccnn1C1CCCC1)c1ccccc1 ZINC000449198812 338601711 /nfs/dbraw/zinc/60/17/11/338601711.db2.gz DMBCGLZYKJCFQW-FQEVSTJZSA-N 0 3 309.457 4.795 20 30 DJEDHN N#Cc1cccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000449449544 338625273 /nfs/dbraw/zinc/62/52/73/338625273.db2.gz LXPNJCZBJXMGDU-SFHVURJKSA-N 0 3 314.791 4.592 20 30 DJEDHN C[C@H]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)c2sccc21 ZINC000453171359 338802369 /nfs/dbraw/zinc/80/23/69/338802369.db2.gz IWBNFNXRGORBLU-SUMWQHHRSA-N 0 3 308.450 4.837 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)c(F)c1 ZINC000453244726 338813390 /nfs/dbraw/zinc/81/33/90/338813390.db2.gz FKZCSUQNDCGGJT-UONOGXRCSA-N 0 3 308.400 4.987 20 30 DJEDHN C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F ZINC000462535933 339080720 /nfs/dbraw/zinc/08/07/20/339080720.db2.gz CZRNTWYHJUYHMM-VBKZILBWSA-N 0 3 308.400 4.501 20 30 DJEDHN C=CC[C@H](CC)N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805809 339090221 /nfs/dbraw/zinc/09/02/21/339090221.db2.gz IOKWCFSFBSZGLC-STQMWFEESA-N 0 3 304.434 4.955 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236965 339110976 /nfs/dbraw/zinc/11/09/76/339110976.db2.gz KJRCUKKQRSARAR-IDHHARJASA-N 0 3 300.421 4.729 20 30 DJEDHN COc1cccc(-c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2)c1 ZINC000463304257 339114247 /nfs/dbraw/zinc/11/42/47/339114247.db2.gz VJWBAFFFECZROL-YLJYHZDGSA-N 0 3 320.436 4.534 20 30 DJEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCCSCC#N ZINC000466702573 339213485 /nfs/dbraw/zinc/21/34/85/339213485.db2.gz CYYQTFXAHXXYHY-LLVKDONJSA-N 0 3 317.285 4.633 20 30 DJEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736810 339244463 /nfs/dbraw/zinc/24/44/63/339244463.db2.gz XYCJDPXLPRARTC-QWRGUYRKSA-N 0 3 306.397 4.947 20 30 DJEDHN N#Cc1cccc(CN[C@H](CC2CC2)c2ccc(Cl)cc2)c1 ZINC000469048752 339278556 /nfs/dbraw/zinc/27/85/56/339278556.db2.gz STTITSIHACEIKI-LJQANCHMSA-N 0 3 310.828 4.843 20 30 DJEDHN CC(C)(C#N)CCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469440096 339289306 /nfs/dbraw/zinc/28/93/06/339289306.db2.gz FDZABLROVZTYQZ-UHFFFAOYSA-N 0 3 318.411 4.774 20 30 DJEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155444 339364701 /nfs/dbraw/zinc/36/47/01/339364701.db2.gz LVWSVIWZJHWZCS-DLBZAZTESA-N 0 3 308.450 4.620 20 30 DJEDHN CC(C)c1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000479401807 339533209 /nfs/dbraw/zinc/53/32/09/339533209.db2.gz IBHSYSJQUFZQFT-UHFFFAOYSA-N 0 3 322.452 4.782 20 30 DJEDHN C=C(C)[C@@H](NC[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417804 339534041 /nfs/dbraw/zinc/53/40/41/339534041.db2.gz GFODBTOPUOSACV-AUUYWEPGSA-N 0 3 323.427 4.624 20 30 DJEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000481654369 339608762 /nfs/dbraw/zinc/60/87/62/339608762.db2.gz VETVHJOXDAVXAZ-VFNWGFHPSA-N 0 3 315.420 4.548 20 30 DJEDHN CCOc1ccccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481654198 339608801 /nfs/dbraw/zinc/60/88/01/339608801.db2.gz CPGXDNUSTXEDDI-HXUWFJFHSA-N 0 3 320.436 4.514 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CSc2ccccc21 ZINC000481667174 339609233 /nfs/dbraw/zinc/60/92/33/339609233.db2.gz GTSYPVUCYLVJSI-OALUTQOASA-N 0 3 320.461 4.762 20 30 DJEDHN C=CCCCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000486681322 339731159 /nfs/dbraw/zinc/73/11/59/339731159.db2.gz JBPKRBGWFRKTSX-UHFFFAOYSA-N 0 3 321.411 4.606 20 30 DJEDHN Cc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)ccc1C#N ZINC000488166519 339772371 /nfs/dbraw/zinc/77/23/71/339772371.db2.gz UQOPJFNQSBWALW-INIZCTEOSA-N 0 3 308.425 4.505 20 30 DJEDHN C=CC[C@@H](C)N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795299 340023389 /nfs/dbraw/zinc/02/33/89/340023389.db2.gz OETJGYXSRAJKTA-WBMJQRKESA-N 0 3 320.230 4.686 20 30 DJEDHN C=CC[C@@H](C)N[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795298 340023401 /nfs/dbraw/zinc/02/34/01/340023401.db2.gz OETJGYXSRAJKTA-MLGOLLRUSA-N 0 3 320.230 4.686 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000501238078 340076902 /nfs/dbraw/zinc/07/69/02/340076902.db2.gz XRELQYGCJQMFGM-NRFANRHFSA-N 0 3 320.436 4.588 20 30 DJEDHN N#Cc1ccc(C2=CCN(Cc3cc4ccccc4o3)CC2)cc1 ZINC000502549506 340107463 /nfs/dbraw/zinc/10/74/63/340107463.db2.gz ZWVKUZBNAPSGOL-UHFFFAOYSA-N 0 3 314.388 4.594 20 30 DJEDHN CC(C)Cc1ccc([C@H](NCc2cccc(C#N)c2)C2CC2)cc1 ZINC000508076044 340238906 /nfs/dbraw/zinc/23/89/06/340238906.db2.gz AKSJHYQCZXKKHN-QFIPXVFZSA-N 0 3 318.464 4.998 20 30 DJEDHN C=C(CNC/C(C)=C\c1ccccc1COC)c1ccccc1 ZINC000510284214 340295103 /nfs/dbraw/zinc/29/51/03/340295103.db2.gz SJVUAZZQJLGVTP-LGMDPLHJSA-N 0 3 307.437 4.539 20 30 DJEDHN C[C@H](NC1(Cc2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512290232 340355627 /nfs/dbraw/zinc/35/56/27/340355627.db2.gz XXCYYNSBTGCFRN-HNNXBMFYSA-N 0 3 308.400 4.513 20 30 DJEDHN C=CCOc1ccc(CNCc2cc3c(cc(C)cc3C)[nH]2)cc1 ZINC000512560956 340367005 /nfs/dbraw/zinc/36/70/05/340367005.db2.gz HSYHKJLJYRPOJO-UHFFFAOYSA-N 0 3 320.436 4.639 20 30 DJEDHN C=C(C)[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652301 340371088 /nfs/dbraw/zinc/37/10/88/340371088.db2.gz LKIPLUJXLMAFKF-YJYMSZOUSA-N 0 3 317.379 4.508 20 30 DJEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 ZINC000192147094 340563015 /nfs/dbraw/zinc/56/30/15/340563015.db2.gz CRKYISCGSURAOD-CQSZACIVSA-N 0 3 304.368 4.701 20 30 DJEDHN CC(C)(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000236627305 340663177 /nfs/dbraw/zinc/66/31/77/340663177.db2.gz VZSBVJSJTKEDTO-LJQANCHMSA-N 0 3 310.416 4.964 20 30 DJEDHN Cc1cccc(-c2cccc(CNCc3ccc(C#N)s3)c2)c1 ZINC000539497731 340887631 /nfs/dbraw/zinc/88/76/31/340887631.db2.gz UFNQMCCPUDPRBH-UHFFFAOYSA-N 0 3 318.445 4.885 20 30 DJEDHN N#CCc1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000543183986 341035645 /nfs/dbraw/zinc/03/56/45/341035645.db2.gz JQGZLYPRDLXUNA-IBGZPJMESA-N 0 3 310.828 4.647 20 30 DJEDHN CCSc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000543188274 341036043 /nfs/dbraw/zinc/03/60/43/341036043.db2.gz WWBZFQZCQXDOHJ-HNNXBMFYSA-N 0 3 310.466 4.715 20 30 DJEDHN N#CCC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000543779014 341058388 /nfs/dbraw/zinc/05/83/88/341058388.db2.gz AYYOXDQIUDGHLG-UHFFFAOYSA-N 0 3 314.429 4.680 20 30 DJEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000544071399 341069195 /nfs/dbraw/zinc/06/91/95/341069195.db2.gz YYUGPCMQZZIEIA-UHFFFAOYSA-N 0 3 319.235 4.691 20 30 DJEDHN CC(C)(C)[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000544071081 341069205 /nfs/dbraw/zinc/06/92/05/341069205.db2.gz MNRKRCQDBMSCRN-LJQANCHMSA-N 0 3 310.416 4.769 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000544115834 341070882 /nfs/dbraw/zinc/07/08/82/341070882.db2.gz AUQFGCIUIMPNHS-LJQANCHMSA-N 0 3 314.379 4.518 20 30 DJEDHN C=CCCN[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544471479 341083635 /nfs/dbraw/zinc/08/36/35/341083635.db2.gz SNNQPFZMWCWEOV-LLVKDONJSA-N 0 3 306.862 4.999 20 30 DJEDHN CCOc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)cc1 ZINC000236986625 341205393 /nfs/dbraw/zinc/20/53/93/341205393.db2.gz ZPFSDKKFWJFNCJ-HXUWFJFHSA-N 0 3 322.452 4.834 20 30 DJEDHN Cc1ccc2ccccc2c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000548935995 341281803 /nfs/dbraw/zinc/28/18/03/341281803.db2.gz GCHPAHWLKQFLHO-MRXNPFEDSA-N 0 3 300.405 4.871 20 30 DJEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170007 341287824 /nfs/dbraw/zinc/28/78/24/341287824.db2.gz FGTCWBVQYQJWIF-CZUORRHYSA-N 0 3 322.374 4.674 20 30 DJEDHN CC(C)(C#N)CCN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549960926 341307971 /nfs/dbraw/zinc/30/79/71/341307971.db2.gz HPAOLPAIKPRMSM-HXUWFJFHSA-N 0 3 304.437 4.574 20 30 DJEDHN Cc1ccccc1C(C)(C)NCc1cccc(OCCCC#N)c1 ZINC000550263822 341313749 /nfs/dbraw/zinc/31/37/49/341313749.db2.gz XUWHJNCLYSYZJV-UHFFFAOYSA-N 0 3 322.452 4.703 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000553293692 341423649 /nfs/dbraw/zinc/42/36/49/341423649.db2.gz CIPVPHCFVMVRFE-LEWJYISDSA-N 0 3 320.411 4.816 20 30 DJEDHN CC(C)(CNCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000554655692 341460561 /nfs/dbraw/zinc/46/05/61/341460561.db2.gz QDRWCMYPULSSQY-UHFFFAOYSA-N 0 3 317.248 4.523 20 30 DJEDHN C=CCOc1cccc(CNCc2ccc3sccc3c2)c1 ZINC000566038164 341546164 /nfs/dbraw/zinc/54/61/64/341546164.db2.gz HKSGRWIGOIBXRF-UHFFFAOYSA-N 0 3 309.434 4.756 20 30 DJEDHN CC(C)C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000566650347 341564148 /nfs/dbraw/zinc/56/41/48/341564148.db2.gz TZNGKUMHJHHJFY-ZWKOTPCHSA-N 0 3 310.466 4.984 20 30 DJEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000567285407 341593237 /nfs/dbraw/zinc/59/32/37/341593237.db2.gz WFCYUWXVTDCNPE-RBUKOAKNSA-N 0 3 310.828 4.940 20 30 DJEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 ZINC000567315777 341594690 /nfs/dbraw/zinc/59/46/90/341594690.db2.gz BXSPKGWRORVCBS-FZKQIMNGSA-N 0 3 302.377 4.643 20 30 DJEDHN CC(C)Oc1ccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569055312 341689571 /nfs/dbraw/zinc/68/95/71/341689571.db2.gz FUQSDTMQBGZKGL-VFNWGFHPSA-N 0 3 320.436 4.684 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000577006103 341875338 /nfs/dbraw/zinc/87/53/38/341875338.db2.gz JXZQWHPZJGNBNC-SFTDATJTSA-N 0 3 320.411 4.742 20 30 DJEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(-c2ccncc2)cc1 ZINC000177708555 341924674 /nfs/dbraw/zinc/92/46/74/341924674.db2.gz OTSBBACQDSPEFC-CQSZACIVSA-N 0 3 319.433 4.533 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2cccs2)C2CCCC2)cc1F ZINC000404618872 518196559 /nfs/dbraw/zinc/19/65/59/518196559.db2.gz VSRGIJZUIBGYKR-SFHVURJKSA-N 0 3 314.429 4.780 20 30 DJEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000126528697 525662813 /nfs/dbraw/zinc/66/28/13/525662813.db2.gz SMSYSSDVHPSQOV-IAGOWNOFSA-N 0 3 319.452 4.570 20 30 DJEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000442669382 335002410 /nfs/dbraw/zinc/00/24/10/335002410.db2.gz AYRMPEHNJQYXEC-FUHWJXTLSA-N 0 3 322.477 4.733 20 30 DJEDHN C=CCC[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284440662 335012802 /nfs/dbraw/zinc/01/28/02/335012802.db2.gz STRSFRKYAHOJPS-SFHVURJKSA-N 0 3 309.457 4.571 20 30 DJEDHN C=CCOc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1 ZINC000035252874 331490527 /nfs/dbraw/zinc/49/05/27/331490527.db2.gz ZSHKFSGEEGXAKQ-CQSZACIVSA-N 0 3 301.455 4.781 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000035253498 331490787 /nfs/dbraw/zinc/49/07/87/331490787.db2.gz PVFYKENIAVBUBJ-LBPRGKRZSA-N 0 3 307.846 4.817 20 30 DJEDHN N#Cc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000037073339 331536056 /nfs/dbraw/zinc/53/60/56/331536056.db2.gz ZPMCWABVGSUZAT-INIZCTEOSA-N 0 3 314.841 4.538 20 30 DJEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)cc1F ZINC000516849174 331690151 /nfs/dbraw/zinc/69/01/51/331690151.db2.gz AKPCEHFWDZFINU-GOSISDBHSA-N 0 3 314.791 4.518 20 30 DJEDHN CCCOc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000557518324 331797080 /nfs/dbraw/zinc/79/70/80/331797080.db2.gz ZQOLFQFNNVFLTG-OAQYLSRUSA-N 0 3 320.436 4.514 20 30 DJEDHN CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664902 332092050 /nfs/dbraw/zinc/09/20/50/332092050.db2.gz QRFFMZJBYKCKPU-WOJBJXKFSA-N 0 3 308.425 4.781 20 30 DJEDHN CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664901 332092252 /nfs/dbraw/zinc/09/22/52/332092252.db2.gz QRFFMZJBYKCKPU-VQTJNVASSA-N 0 3 308.425 4.781 20 30 DJEDHN CCCC(C)(C)N(Cc1cccs1)Cc1ccc(C#N)cn1 ZINC000569468967 332097656 /nfs/dbraw/zinc/09/76/56/332097656.db2.gz KLZPXQPQLGUCLH-UHFFFAOYSA-N 0 3 313.470 4.596 20 30 DJEDHN CC1(C)C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514280 332118070 /nfs/dbraw/zinc/11/80/70/332118070.db2.gz WMFCDNUXWDEZFQ-WOJBJXKFSA-N 0 3 302.421 4.558 20 30 DJEDHN CC1(C)C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514278 332118121 /nfs/dbraw/zinc/11/81/21/332118121.db2.gz WMFCDNUXWDEZFQ-VQTJNVASSA-N 0 3 302.421 4.558 20 30 DJEDHN N#CC1(CNC(CCc2ccccc2)CCc2ccccc2)CC1 ZINC000562926913 332644381 /nfs/dbraw/zinc/64/43/81/332644381.db2.gz NLVYBDZDFQVWKF-UHFFFAOYSA-N 0 3 318.464 4.514 20 30 DJEDHN C=CCOc1cccc(CNCc2c(C)oc3ccccc32)c1 ZINC000466469835 333022583 /nfs/dbraw/zinc/02/25/83/333022583.db2.gz XJSRDYYYJSMMNH-UHFFFAOYSA-N 0 3 307.393 4.596 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(SC)cc2)cc1 ZINC000378887499 333060065 /nfs/dbraw/zinc/06/00/65/333060065.db2.gz JCZFCPIEFRRRPU-HNNXBMFYSA-N 0 3 313.466 4.824 20 30 DJEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536899 333162702 /nfs/dbraw/zinc/16/27/02/333162702.db2.gz JJWPSEMHLUMAIC-IRXDYDNUSA-N 0 3 308.425 4.618 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540438 333162889 /nfs/dbraw/zinc/16/28/89/333162889.db2.gz WPRZOTFAYAZAPF-IIBYNOLFSA-N 0 3 320.436 4.626 20 30 DJEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043362 333175044 /nfs/dbraw/zinc/17/50/44/333175044.db2.gz WLDSWQIAAOCIDB-LAUBAEHRSA-N 0 3 320.436 4.947 20 30 DJEDHN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCCCC#N ZINC000184088248 333191864 /nfs/dbraw/zinc/19/18/64/333191864.db2.gz HONCRNITSVXOMM-LLVKDONJSA-N 0 3 319.861 4.726 20 30 DJEDHN C[C@H](NCCCC(C)(C)C#N)c1nc(-c2ccccc2)cs1 ZINC000184516923 333197633 /nfs/dbraw/zinc/19/76/33/333197633.db2.gz OWNDBGMDHHKSQB-AWEZNQCLSA-N 0 3 313.470 4.791 20 30 DJEDHN C[C@@H](NCCCC(C)(C)C#N)c1nc(-c2ccccc2)cs1 ZINC000184516941 333197737 /nfs/dbraw/zinc/19/77/37/333197737.db2.gz OWNDBGMDHHKSQB-CQSZACIVSA-N 0 3 313.470 4.791 20 30 DJEDHN Cc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C2CCC2)cc1 ZINC000187326969 333230716 /nfs/dbraw/zinc/23/07/16/333230716.db2.gz VFAYXWUTHLLACB-NRFANRHFSA-N 0 3 320.436 4.528 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 ZINC000320008844 333421221 /nfs/dbraw/zinc/42/12/21/333421221.db2.gz DWUJDTZCOCKPHT-HOTGVXAUSA-N 0 3 304.437 4.849 20 30 DJEDHN CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000338953225 333503146 /nfs/dbraw/zinc/50/31/46/333503146.db2.gz JBUAQQCQCLIBGC-FQEVSTJZSA-N 0 3 308.425 4.610 20 30 DJEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccc2ncsc2c1 ZINC000411563268 333692148 /nfs/dbraw/zinc/69/21/48/333692148.db2.gz QKPZNABHDUQOSZ-CQSZACIVSA-N 0 3 313.470 4.811 20 30 DJEDHN COc1cccc(C=C2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000268496024 333991461 /nfs/dbraw/zinc/99/14/61/333991461.db2.gz RFFZKALHDSJRLP-UHFFFAOYSA-N 0 3 312.457 4.504 20 30 DJEDHN Cc1ccccc1[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271860997 334027731 /nfs/dbraw/zinc/02/77/31/334027731.db2.gz KJJWXACXRWHIQF-HRAATJIYSA-N 0 3 320.436 4.699 20 30 DJEDHN Cc1ccc([C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000271874254 334027899 /nfs/dbraw/zinc/02/78/99/334027899.db2.gz NRFNSFRVIFNLIH-HRAATJIYSA-N 0 3 320.436 4.699 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431007 334198422 /nfs/dbraw/zinc/19/84/22/334198422.db2.gz BIUYFQHVEFLCRE-OXQOHEQNSA-N 0 3 303.409 4.644 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444203 334203040 /nfs/dbraw/zinc/20/30/40/334203040.db2.gz GYCHNAAPBKVEMI-DNVCBOLYSA-N 0 3 323.396 4.681 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445981 334203471 /nfs/dbraw/zinc/20/34/71/334203471.db2.gz MLFNHMZNYVZXKZ-KXBFYZLASA-N 0 3 323.396 4.681 20 30 DJEDHN Cc1nc(C)c([C@@H](C)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000340446025 334203473 /nfs/dbraw/zinc/20/34/73/334203473.db2.gz NDLUNSBIHXTLSA-RHSMWYFYSA-N 0 3 313.470 4.846 20 30 DJEDHN CC(C)n1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000340450336 334204848 /nfs/dbraw/zinc/20/48/48/334204848.db2.gz XJMMVQUFRONGCX-APWZRJJASA-N 0 3 310.445 4.550 20 30 DJEDHN CC(C)n1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cn1 ZINC000340450340 334204868 /nfs/dbraw/zinc/20/48/68/334204868.db2.gz XJMMVQUFRONGCX-VQIMIIECSA-N 0 3 310.445 4.550 20 30 DJEDHN N#Cc1ccc(CNC2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000531954353 334305680 /nfs/dbraw/zinc/30/56/80/334305680.db2.gz FRNPYIQUWPZLOY-UHFFFAOYSA-N 0 3 310.828 4.771 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCSc2ccccc21 ZINC000341760168 334477980 /nfs/dbraw/zinc/47/79/80/334477980.db2.gz JLIIJKKVTXOPTO-RTBURBONSA-N 0 3 320.461 4.762 20 30 DJEDHN CC(C)Oc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341760302 334478027 /nfs/dbraw/zinc/47/80/27/334478027.db2.gz LGABOJYTEAQWEG-OAQYLSRUSA-N 0 3 320.436 4.513 20 30 DJEDHN CC(C)Oc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341762966 334478608 /nfs/dbraw/zinc/47/86/08/334478608.db2.gz WLMOCSCOEOAAKJ-FQEVSTJZSA-N 0 3 320.436 4.513 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2ccc(F)cc21 ZINC000341799812 334480211 /nfs/dbraw/zinc/48/02/11/334480211.db2.gz COTFSKSYMONWFE-NHCUHLMSSA-N 0 3 320.411 4.742 20 30 DJEDHN C=CCC[C@H](NCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1 ZINC000345014733 335291265 /nfs/dbraw/zinc/29/12/65/335291265.db2.gz GRCPVTJIXHEZSV-INIZCTEOSA-N 0 3 323.362 4.534 20 30 DJEDHN N#CCCCCNCc1c(Cl)cccc1Oc1ccccc1 ZINC000480000711 335816799 /nfs/dbraw/zinc/81/67/99/335816799.db2.gz URJHZDZRTZCXOF-UHFFFAOYSA-N 0 3 314.816 4.916 20 30 DJEDHN CC(C)(C#N)CCCN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000532159714 335906480 /nfs/dbraw/zinc/90/64/80/335906480.db2.gz ZZVRVLIZJOMRPV-QGZVFWFLSA-N 0 3 316.445 4.896 20 30 DJEDHN N#CCc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000520406495 335975116 /nfs/dbraw/zinc/97/51/16/335975116.db2.gz ITXVBPACDNDWRS-IBGZPJMESA-N 0 3 310.828 4.573 20 30 DJEDHN CC(C)(C#N)CCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000532793022 336271412 /nfs/dbraw/zinc/27/14/12/336271412.db2.gz IWOYPVOYPKKBDQ-UHFFFAOYSA-N 0 3 300.421 4.635 20 30 DJEDHN CC(C)CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000325111023 336279268 /nfs/dbraw/zinc/27/92/68/336279268.db2.gz FIYISQMGLVLWCT-KRWDZBQOSA-N 0 3 322.452 4.834 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000192936271 336285338 /nfs/dbraw/zinc/28/53/38/336285338.db2.gz FQRZQEYPKWXYHQ-UONOGXRCSA-N 0 3 314.816 4.654 20 30 DJEDHN C[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988813 336286574 /nfs/dbraw/zinc/28/65/74/336286574.db2.gz LVLBGLZCYIDHEX-YVEFUNNKSA-N 0 3 312.413 4.585 20 30 DJEDHN C=CCC[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250716 336408245 /nfs/dbraw/zinc/40/82/45/336408245.db2.gz GGPZSOORWXHPLQ-YJBOKZPZSA-N 0 3 311.425 4.759 20 30 DJEDHN N#CCCC[C@H](NCc1coc2ccccc12)c1ccccc1 ZINC000353914702 336447761 /nfs/dbraw/zinc/44/77/61/336447761.db2.gz LFLPMEIMRBOGPS-IBGZPJMESA-N 0 3 304.393 4.958 20 30 DJEDHN C=CCC[C@@H](NCc1cncc(C(F)(F)F)c1)c1ccccc1 ZINC000361348070 336752635 /nfs/dbraw/zinc/75/26/35/336752635.db2.gz GXMBDPZGACKOKL-QGZVFWFLSA-N 0 3 320.358 4.898 20 30 DJEDHN CSc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418145246 336896805 /nfs/dbraw/zinc/89/68/05/336896805.db2.gz MTCDMRUODIGXGL-INIZCTEOSA-N 0 3 314.479 4.509 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cl)c(F)c1 ZINC000418151148 336898119 /nfs/dbraw/zinc/89/81/19/336898119.db2.gz WSNJPEOMYXYDAF-SFHVURJKSA-N 0 3 314.791 4.518 20 30 DJEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-c2cccnc2)cc1 ZINC000176981452 337154039 /nfs/dbraw/zinc/15/40/39/337154039.db2.gz DGRUMNMIUVUMJR-CQSZACIVSA-N 0 3 319.433 4.533 20 30 DJEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805249 337250426 /nfs/dbraw/zinc/25/04/26/337250426.db2.gz FBRGAZSEWFZLPB-LNSITVRQSA-N 0 3 306.862 4.549 20 30 DJEDHN C=C(C)[C@@H](N[C@@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438955 337489817 /nfs/dbraw/zinc/48/98/17/337489817.db2.gz ZOEQPVMTHOMERD-SUMWQHHRSA-N 0 3 309.400 4.519 20 30 DJEDHN C[C@@H](N[C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000421880617 337658488 /nfs/dbraw/zinc/65/84/88/337658488.db2.gz QOWQJYVBKBQRIA-DYVFJYSZSA-N 0 3 300.352 4.605 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](CC(F)F)c1ccccc1)CC2 ZINC000421880576 337658554 /nfs/dbraw/zinc/65/85/54/337658554.db2.gz QNCXCHAPGKYUIP-ROUUACIJSA-N 0 3 312.363 4.532 20 30 DJEDHN C[C@@H](N[C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000421880605 337658597 /nfs/dbraw/zinc/65/85/97/337658597.db2.gz QOWQJYVBKBQRIA-CXAGYDPISA-N 0 3 300.352 4.605 20 30 DJEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](CC(F)F)c1ccccc1)CC2 ZINC000421880558 337658601 /nfs/dbraw/zinc/65/86/01/337658601.db2.gz QNCXCHAPGKYUIP-MSOLQXFVSA-N 0 3 312.363 4.532 20 30 DJEDHN C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850739 337769130 /nfs/dbraw/zinc/76/91/30/337769130.db2.gz KLRNHWXQSDVMPG-ZMZPIMSZSA-N 0 3 314.791 4.689 20 30 DJEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000124884737 337812714 /nfs/dbraw/zinc/81/27/14/337812714.db2.gz HCFCPNLUTGJHHA-CHWSQXEVSA-N 0 3 318.342 4.989 20 30 DJEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406663 337933618 /nfs/dbraw/zinc/93/36/18/337933618.db2.gz JPPYPGVXGILCRP-JLTOFOAXSA-N 0 3 308.400 4.889 20 30 DJEDHN C=CCC[C@H](NCCc1csc(C(C)(C)C)n1)c1ccco1 ZINC000516308473 338009522 /nfs/dbraw/zinc/00/95/22/338009522.db2.gz PSWBSJWNXNVION-HNNXBMFYSA-N 0 3 318.486 4.873 20 30 DJEDHN CCSc1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000426348770 338028311 /nfs/dbraw/zinc/02/83/11/338028311.db2.gz BZOVUXNMWVJWBV-LJQANCHMSA-N 0 3 310.466 4.911 20 30 DJEDHN Cc1cc([C@@H]2CCCN2CCCCC#N)ccc1Br ZINC000430238504 338102667 /nfs/dbraw/zinc/10/26/67/338102667.db2.gz KNXMHVUDSMIOIU-INIZCTEOSA-N 0 3 321.262 4.588 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-c2ccccc2F)s1 ZINC000430722042 338112320 /nfs/dbraw/zinc/11/23/20/338112320.db2.gz DZVXIWJFEJUMOU-ZDUSSCGKSA-N 0 3 314.429 4.899 20 30 DJEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430733228 338112628 /nfs/dbraw/zinc/11/26/28/338112628.db2.gz DWOMORSSIDAJQG-OAHLLOKOSA-N 0 3 310.363 4.686 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430744198 338113222 /nfs/dbraw/zinc/11/32/22/338113222.db2.gz NIPRBEUWTLVSQW-INIZCTEOSA-N 0 3 320.436 4.707 20 30 DJEDHN Cc1ccc2cc([C@H](C)NCc3ccc(CC#N)cc3)oc2c1 ZINC000572482377 338231273 /nfs/dbraw/zinc/23/12/73/338231273.db2.gz PRYGJPATPRGICK-HNNXBMFYSA-N 0 3 304.393 4.658 20 30 DJEDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)s1 ZINC000435281110 338236283 /nfs/dbraw/zinc/23/62/83/338236283.db2.gz VOKKZMZZQMKCCF-KRWDZBQOSA-N 0 3 302.418 4.588 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000436287991 338266374 /nfs/dbraw/zinc/26/63/74/338266374.db2.gz UMIZABMYCQILSN-MKBNYLNASA-N 0 3 314.256 4.625 20 30 DJEDHN CCN(Cc1cc2c(cccc2F)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000437579072 338314283 /nfs/dbraw/zinc/31/42/83/338314283.db2.gz NHBOEQJWNIWYBY-AWEZNQCLSA-N 0 3 321.399 4.762 20 30 DJEDHN CC1(C)CCc2ccccc2[C@@H](NCc2ccc(C#N)s2)C1 ZINC000441380049 338411021 /nfs/dbraw/zinc/41/10/21/338411021.db2.gz OWLPGIFANYSXDS-SFHVURJKSA-N 0 3 310.466 4.813 20 30 DJEDHN CC(C)Oc1ccc2ccccc2c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000446758095 338535171 /nfs/dbraw/zinc/53/51/71/338535171.db2.gz FUFOFIOLXTZRBC-AEFFLSMTSA-N 0 3 322.452 4.799 20 30 DJEDHN CC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000447509613 338553163 /nfs/dbraw/zinc/55/31/63/338553163.db2.gz GHGXTCQVCYBMFG-KRWDZBQOSA-N 0 3 318.342 4.818 20 30 DJEDHN CC[C@H](N[C@H](C)c1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447512811 338553261 /nfs/dbraw/zinc/55/32/61/338553261.db2.gz QVWDELUXCRXTFK-ACJLOTCBSA-N 0 3 312.388 4.508 20 30 DJEDHN CC[C@@H](N[C@H](C)c1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447512812 338553322 /nfs/dbraw/zinc/55/33/22/338553322.db2.gz QVWDELUXCRXTFK-FZKQIMNGSA-N 0 3 312.388 4.508 20 30 DJEDHN N#C[C@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000447584434 338559226 /nfs/dbraw/zinc/55/92/26/338559226.db2.gz GAIXWPZZCMQNMJ-XJKSGUPXSA-N 0 3 322.374 4.757 20 30 DJEDHN Cc1ccccc1-c1ccccc1CN1CCC(C)(C#N)CC1 ZINC000449229903 338604484 /nfs/dbraw/zinc/60/44/84/338604484.db2.gz FVTXTQLQHCPKSX-UHFFFAOYSA-N 0 3 304.437 4.788 20 30 DJEDHN C[C@H](NCC(C)(C)CCC#N)c1ccc(Oc2ccccc2)cn1 ZINC000453241731 338812955 /nfs/dbraw/zinc/81/29/55/338812955.db2.gz ZMEZAHKVNGIAJA-INIZCTEOSA-N 0 3 323.440 4.854 20 30 DJEDHN C[C@H](N[C@H]1CCCc2c(F)cc(F)cc21)c1cccc(C#N)c1 ZINC000453249467 338814236 /nfs/dbraw/zinc/81/42/36/338814236.db2.gz UELCKMMAEGZNOF-BUXKBTBVSA-N 0 3 312.363 4.565 20 30 DJEDHN CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000462553738 339081284 /nfs/dbraw/zinc/08/12/84/339081284.db2.gz QJSSXUKKINGFII-IEBWSBKVSA-N 0 3 310.466 4.669 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000462843342 339093890 /nfs/dbraw/zinc/09/38/90/339093890.db2.gz TVYGEZSKVWURIH-VWKPWSFCSA-N 0 3 304.437 4.923 20 30 DJEDHN N#C[C@H]1CCC[C@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446320 339239149 /nfs/dbraw/zinc/23/91/49/339239149.db2.gz DLSXRFXPVQTMDL-AAEUAGOBSA-N 0 3 309.240 4.654 20 30 DJEDHN C=CCCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000471578455 339347994 /nfs/dbraw/zinc/34/79/94/339347994.db2.gz RAKNZGAIBSWGEH-HXUWFJFHSA-N 0 3 306.409 4.863 20 30 DJEDHN CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619023 339349761 /nfs/dbraw/zinc/34/97/61/339349761.db2.gz MCBWLPQGMDTXEM-WQVCFCJDSA-N 0 3 310.363 4.828 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000474102592 339402714 /nfs/dbraw/zinc/40/27/14/339402714.db2.gz BLHJKKNBOGQMBE-CHWSQXEVSA-N 0 3 308.356 4.855 20 30 DJEDHN N#Cc1cccc(CN[C@H]2CCCCc3ccc(Cl)cc32)c1 ZINC000480815425 339588176 /nfs/dbraw/zinc/58/81/76/339588176.db2.gz VHLKUAJPMUGGJI-IBGZPJMESA-N 0 3 310.828 4.769 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(Cl)s1 ZINC000481638843 339608080 /nfs/dbraw/zinc/60/80/80/339608080.db2.gz AWDYRYBOHXFRSH-INIZCTEOSA-N 0 3 316.857 4.830 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CSc2ccccc21 ZINC000481667178 339609214 /nfs/dbraw/zinc/60/92/14/339609214.db2.gz GTSYPVUCYLVJSI-RBUKOAKNSA-N 0 3 320.461 4.762 20 30 DJEDHN COc1cccc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922512 339616812 /nfs/dbraw/zinc/61/68/12/339616812.db2.gz PEOWVEBINYXVKP-VFNWGFHPSA-N 0 3 320.436 4.685 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN[C@@]1(C)CCCc2ccccc21 ZINC000483830438 339675484 /nfs/dbraw/zinc/67/54/84/339675484.db2.gz OIGLBHPAHJBMPD-QFIPXVFZSA-N 0 3 318.464 4.829 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1F ZINC000484057095 339680313 /nfs/dbraw/zinc/68/03/13/339680313.db2.gz NPIOASPOIYGVAD-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc2ncsc2c1)c1ccc(C#N)cc1 ZINC000485817780 339713645 /nfs/dbraw/zinc/71/36/45/339713645.db2.gz LFBWDQNVBKNKFA-CHWSQXEVSA-N 0 3 307.422 4.580 20 30 DJEDHN COc1ccccc1[C@@H](CC(C)C)NCc1ccc(C#N)c(C)c1 ZINC000488152227 339772040 /nfs/dbraw/zinc/77/20/40/339772040.db2.gz QENWQJMKXPKLFQ-HXUWFJFHSA-N 0 3 322.452 4.752 20 30 DJEDHN C=CCC[C@H](CCC)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000494396580 339948246 /nfs/dbraw/zinc/94/82/46/339948246.db2.gz XEKYVOBXBOEPJL-MNOVXSKESA-N 0 3 306.397 4.947 20 30 DJEDHN N#CCCCN[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000494980702 339968652 /nfs/dbraw/zinc/96/86/52/339968652.db2.gz PFESYGPHSSJHQS-OAHLLOKOSA-N 0 3 304.846 4.579 20 30 DJEDHN C[C@H](c1ccc(F)cc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513186 340106584 /nfs/dbraw/zinc/10/65/84/340106584.db2.gz WNLKBJZZIMLMMO-OAHLLOKOSA-N 0 3 306.384 4.548 20 30 DJEDHN CC(C)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853761 340135194 /nfs/dbraw/zinc/13/51/94/340135194.db2.gz FGKULZSMNFWZHV-BFUOFWGJSA-N 0 3 314.379 4.884 20 30 DJEDHN CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccc(C#N)cc1 ZINC000479459477 340151853 /nfs/dbraw/zinc/15/18/53/340151853.db2.gz WSNVZQTXCLIYTN-IBGZPJMESA-N 0 3 317.436 4.599 20 30 DJEDHN Cc1ccc([C@@H](C)N(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000507195715 340212508 /nfs/dbraw/zinc/21/25/08/340212508.db2.gz VLFAQBGZWGJXBG-GOSISDBHSA-N 0 3 322.452 4.871 20 30 DJEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccccc1 ZINC000507238710 340214989 /nfs/dbraw/zinc/21/49/89/340214989.db2.gz XBVPVIWIYCKRNM-UHFFFAOYSA-N 0 3 312.416 4.857 20 30 DJEDHN Cc1ccc(-c2cccc(CN3CCC(C)(C#N)CC3)c2)cc1 ZINC000507709334 340229050 /nfs/dbraw/zinc/22/90/50/340229050.db2.gz POECNBOFMOVNMA-UHFFFAOYSA-N 0 3 304.437 4.788 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000508580251 340246857 /nfs/dbraw/zinc/24/68/57/340246857.db2.gz DYKUMGMRPHALLM-MRXNPFEDSA-N 0 3 308.425 4.540 20 30 DJEDHN CC(C)(C#N)CCCN(Cc1ccccc1Cl)CC1CC1 ZINC000510216812 340292854 /nfs/dbraw/zinc/29/28/54/340292854.db2.gz WYHXOZNKGRPXST-UHFFFAOYSA-N 0 3 304.865 4.882 20 30 DJEDHN CC(C)N(CCSc1ccccc1)Cc1ccc(C#N)cc1 ZINC000510233334 340293411 /nfs/dbraw/zinc/29/34/11/340293411.db2.gz JEZQNSZLZREHER-UHFFFAOYSA-N 0 3 310.466 4.561 20 30 DJEDHN CC(C)(C#N)CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511095023 340320597 /nfs/dbraw/zinc/32/05/97/340320597.db2.gz ZJQVTKRONZGGRS-HNNXBMFYSA-N 0 3 324.390 4.825 20 30 DJEDHN CCCN(Cc1ccc(C#N)o1)[C@@H](C)c1cc2ccccc2o1 ZINC000511764658 340337625 /nfs/dbraw/zinc/33/76/25/340337625.db2.gz HOVXTZUIIHLFPT-AWEZNQCLSA-N 0 3 308.381 4.871 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512288096 340355605 /nfs/dbraw/zinc/35/56/05/340355605.db2.gz MAGGRAKZJIIZIV-YRVVQQKDSA-N 0 3 308.400 4.672 20 30 DJEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1F ZINC000512629569 340369792 /nfs/dbraw/zinc/36/97/92/340369792.db2.gz JGLSUMUOWHOALW-XOBRGWDASA-N 0 3 308.400 4.889 20 30 DJEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1F ZINC000512629566 340369857 /nfs/dbraw/zinc/36/98/57/340369857.db2.gz JGLSUMUOWHOALW-VLIAUNLRSA-N 0 3 308.400 4.889 20 30 DJEDHN Cc1ccc(CN(CCCC(C)(C)C#N)Cc2ccco2)s1 ZINC000174834123 340397064 /nfs/dbraw/zinc/39/70/64/340397064.db2.gz MWNBFCVWBQZUNU-UHFFFAOYSA-N 0 3 316.470 4.982 20 30 DJEDHN CCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000191029127 340549308 /nfs/dbraw/zinc/54/93/08/340549308.db2.gz ZCRZAGCWUHSSTF-INIZCTEOSA-N 0 3 308.425 4.506 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000124884194 340801291 /nfs/dbraw/zinc/80/12/91/340801291.db2.gz HCFCPNLUTGJHHA-OLZOCXBDSA-N 0 3 318.342 4.989 20 30 DJEDHN N#Cc1ccccc1-c1ccc(CNCc2ccc(F)cc2)cc1 ZINC000539103827 340873572 /nfs/dbraw/zinc/87/35/72/340873572.db2.gz DNQMVNGSFSDUGA-UHFFFAOYSA-N 0 3 316.379 4.654 20 30 DJEDHN CC(C)(C)C[C@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000539256639 340878696 /nfs/dbraw/zinc/87/86/96/340878696.db2.gz FVVDVDMKGHVMCI-SFHVURJKSA-N 0 3 310.416 4.964 20 30 DJEDHN N#CCc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000542254229 341002037 /nfs/dbraw/zinc/00/20/37/341002037.db2.gz QQWDENHMXNTSKV-OAQYLSRUSA-N 0 3 322.427 4.913 20 30 DJEDHN CCCC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000543182406 341035654 /nfs/dbraw/zinc/03/56/54/341035654.db2.gz REHWSZIRKFZSOH-OAQYLSRUSA-N 0 3 322.452 4.782 20 30 DJEDHN CCSc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000543188280 341035972 /nfs/dbraw/zinc/03/59/72/341035972.db2.gz WWBZFQZCQXDOHJ-OAHLLOKOSA-N 0 3 310.466 4.715 20 30 DJEDHN C[C@H](N[C@@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602137 341050838 /nfs/dbraw/zinc/05/08/38/341050838.db2.gz GRCFCZKRSJWTIA-ORAYPTAESA-N 0 3 310.828 4.940 20 30 DJEDHN CC[C@H](CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000544841748 341095965 /nfs/dbraw/zinc/09/59/65/341095965.db2.gz PYFLEKFPCUHNGV-LLVKDONJSA-N 0 3 317.248 4.665 20 30 DJEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000546178831 341156089 /nfs/dbraw/zinc/15/60/89/341156089.db2.gz MJBSVJVGEZVVFH-VIFPVBQESA-N 0 3 317.248 4.665 20 30 DJEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000237354531 341212380 /nfs/dbraw/zinc/21/23/80/341212380.db2.gz XYHRQAAMSAWQIZ-VMDGZTHMSA-N 0 3 310.828 4.699 20 30 DJEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000135101903 341230928 /nfs/dbraw/zinc/23/09/28/341230928.db2.gz DDONRDZZFZOYCL-AWEZNQCLSA-N 0 3 312.844 4.992 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2cccs2)C2CCCC2)s1 ZINC000135682725 341244043 /nfs/dbraw/zinc/24/40/43/341244043.db2.gz NCSUAQIHVDRVLQ-INIZCTEOSA-N 0 3 302.468 4.702 20 30 DJEDHN Cc1ccc2ccccc2c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000548935994 341281744 /nfs/dbraw/zinc/28/17/44/341281744.db2.gz GCHPAHWLKQFLHO-INIZCTEOSA-N 0 3 300.405 4.871 20 30 DJEDHN CCCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000549832977 341304427 /nfs/dbraw/zinc/30/44/27/341304427.db2.gz GQAXOBCLLLDQAK-UHFFFAOYSA-N 0 3 320.436 4.512 20 30 DJEDHN C[C@@H](F)CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000550271359 341314030 /nfs/dbraw/zinc/31/40/30/341314030.db2.gz MOBQGQWJQCPCAT-MRVPVSSYSA-N 0 3 317.248 4.562 20 30 DJEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000551760525 341350564 /nfs/dbraw/zinc/35/05/64/341350564.db2.gz GUVKWNQMNMLMNG-MRXNPFEDSA-N 0 3 322.433 4.716 20 30 DJEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000247335943 341363698 /nfs/dbraw/zinc/36/36/98/341363698.db2.gz NFCAKUBDMMUVLM-NVGVWMPQSA-N 0 3 316.857 4.760 20 30 DJEDHN C=CCOc1ccc(CN[C@H](CC)c2cccc(OC)c2)cc1 ZINC000552322783 341386496 /nfs/dbraw/zinc/38/64/96/341386496.db2.gz YNLFJVRVBALRBA-HXUWFJFHSA-N 0 3 311.425 4.501 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901989 341389789 /nfs/dbraw/zinc/38/97/89/341389789.db2.gz UNZVAPIYLSENRP-UIAACRFSSA-N 0 3 308.400 4.587 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901983 341389817 /nfs/dbraw/zinc/38/98/17/341389817.db2.gz UNZVAPIYLSENRP-CDHQVMDDSA-N 0 3 308.400 4.587 20 30 DJEDHN Cc1cc(C)cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)c1 ZINC000552969105 341411082 /nfs/dbraw/zinc/41/10/82/341411082.db2.gz HOMXOUXPMPUAFO-QGZVFWFLSA-N 0 3 306.453 4.955 20 30 DJEDHN CCCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000553304997 341424419 /nfs/dbraw/zinc/42/44/19/341424419.db2.gz DJALICPZJNDGKQ-NRFANRHFSA-N 0 3 320.436 4.514 20 30 DJEDHN CCC[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000152978597 341514974 /nfs/dbraw/zinc/51/49/74/341514974.db2.gz VFRNBMPSARJKIL-MRXNPFEDSA-N 0 3 304.846 4.904 20 30 DJEDHN C[C@@H](N[C@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C#N)cc1 ZINC000289160167 341606232 /nfs/dbraw/zinc/60/62/32/341606232.db2.gz GYBGKYVXPKCKIH-VLIAUNLRSA-N 0 3 315.420 4.768 20 30 DJEDHN CCCCOc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000572841187 341706178 /nfs/dbraw/zinc/70/61/78/341706178.db2.gz GZUYRFQKFVIAFE-QGZVFWFLSA-N 0 3 322.452 4.782 20 30 DJEDHN CC(C)Oc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000576197500 341832443 /nfs/dbraw/zinc/83/24/43/341832443.db2.gz HICMKXHZAYEHBV-QVKFZJNVSA-N 0 3 320.436 4.684 20 30 DJEDHN N#Cc1csc(CN[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000177692293 341924021 /nfs/dbraw/zinc/92/40/21/341924021.db2.gz QDMLFOYNUMZRHB-SFHVURJKSA-N 0 3 314.429 4.780 20 30 DJEDHN CC(C)(C)[C@H](NCc1cc(C#N)cs1)c1cccc(F)c1 ZINC000178614466 341959798 /nfs/dbraw/zinc/95/97/98/341959798.db2.gz ZNGAXQASHCXULZ-MRXNPFEDSA-N 0 3 302.418 4.636 20 30 DJEDHN C[C@H](N[C@@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839311 525585087 /nfs/dbraw/zinc/58/50/87/525585087.db2.gz JPJGHXMOXGAION-BFQNTYOBSA-N 0 3 314.479 4.896 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000126528226 525610756 /nfs/dbraw/zinc/61/07/56/525610756.db2.gz SMSYSSDVHPSQOV-SJORKVTESA-N 0 3 319.452 4.570 20 30 DJEDHN CC[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 ZINC000273520418 535805838 /nfs/dbraw/zinc/80/58/38/535805838.db2.gz QMRBKSOCSGVNDK-CYBMUJFWSA-N 0 3 308.809 4.653 20 30 DJEDHN CC[C@H](N[C@H]1CCSc2ccccc21)c1ccc(C#N)cc1 ZINC000278255859 130675303 /nfs/dbraw/zinc/67/53/03/130675303.db2.gz MZXPFPRIMGNNGF-ROUUACIJSA-N 0 3 308.450 4.836 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973411 331678674 /nfs/dbraw/zinc/67/86/74/331678674.db2.gz BYUZEEHXYUNOMJ-STQMWFEESA-N 0 3 318.342 4.989 20 30 DJEDHN COc1cc(CN[C@H]2C[C@@H](C(C)C)c3ccccc32)ccc1C#N ZINC000564434495 331788313 /nfs/dbraw/zinc/78/83/13/331788313.db2.gz YBCDFEGSQXJQET-PMACEKPBSA-N 0 3 320.436 4.541 20 30 DJEDHN CC1(C)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514275 332118181 /nfs/dbraw/zinc/11/81/81/332118181.db2.gz WMFCDNUXWDEZFQ-PMACEKPBSA-N 0 3 302.421 4.558 20 30 DJEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1cccc(Cl)c1 ZINC000181420210 332193975 /nfs/dbraw/zinc/19/39/75/332193975.db2.gz HOGZHMJJFQTLKH-CQSZACIVSA-N 0 3 312.844 4.992 20 30 DJEDHN C[C@@H](NCc1ccc(OC2CCCC2)cc1)c1cccc(C#N)c1 ZINC000559954545 332296804 /nfs/dbraw/zinc/29/68/04/332296804.db2.gz FTTCCLUQHIEZBO-MRXNPFEDSA-N 0 3 320.436 4.730 20 30 DJEDHN Cc1ccccc1[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000237333841 332343273 /nfs/dbraw/zinc/34/32/73/332343273.db2.gz JDDGWIQDQYYOEZ-QGZVFWFLSA-N 0 3 308.425 4.528 20 30 DJEDHN C=CCC[C@@H](NCCc1nc(C(C)(C)C)cs1)c1ccco1 ZINC000560530587 332352498 /nfs/dbraw/zinc/35/24/98/332352498.db2.gz RYMBCCMDMOXPBV-CQSZACIVSA-N 0 3 318.486 4.873 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2ccccc2c1 ZINC000561138621 332416136 /nfs/dbraw/zinc/41/61/36/332416136.db2.gz SKMZHBWHPWIZCL-JOCHJYFZSA-N 0 3 312.416 4.879 20 30 DJEDHN CC(C)Cc1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000562371992 332585437 /nfs/dbraw/zinc/58/54/37/332585437.db2.gz SRFQJDIVPRLKKW-OAQYLSRUSA-N 0 3 321.468 4.639 20 30 DJEDHN Cc1ccccc1CN(CCCC(C)(C)C#N)Cc1ccccn1 ZINC000580316946 333109604 /nfs/dbraw/zinc/10/96/04/333109604.db2.gz HMWGATPODSOETM-UHFFFAOYSA-N 0 3 321.468 4.722 20 30 DJEDHN C[C@H](c1ccccc1)[N@H+](CCCCC#N)Cc1ccccc1[O-] ZINC000176680864 333117826 /nfs/dbraw/zinc/11/78/26/333117826.db2.gz WVUHRFKUUFXPNQ-QGZVFWFLSA-N 0 3 308.425 4.649 20 30 DJEDHN C[C@H](c1ccccc1)[N@@H+](CCCCC#N)Cc1ccccc1[O-] ZINC000176680864 333117828 /nfs/dbraw/zinc/11/78/28/333117828.db2.gz WVUHRFKUUFXPNQ-QGZVFWFLSA-N 0 3 308.425 4.649 20 30 DJEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000180551667 333163175 /nfs/dbraw/zinc/16/31/75/333163175.db2.gz AOLGIVFKQZDBDO-CQSZACIVSA-N 0 3 320.845 4.545 20 30 DJEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685307 333171491 /nfs/dbraw/zinc/17/14/91/333171491.db2.gz BCOKTFZEWKCIFF-IIBYNOLFSA-N 0 3 320.436 4.781 20 30 DJEDHN CC[C@H](NCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185923465 333215906 /nfs/dbraw/zinc/21/59/06/333215906.db2.gz MEUWBNMQTDIVDJ-JTQLQIEISA-N 0 3 319.396 4.533 20 30 DJEDHN C=CCOc1ccccc1CN[C@H](CC)c1ccc(OC)cc1 ZINC000319738128 333401537 /nfs/dbraw/zinc/40/15/37/333401537.db2.gz HRJMPPWQVAQFNQ-LJQANCHMSA-N 0 3 311.425 4.501 20 30 DJEDHN CCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000319880991 333414906 /nfs/dbraw/zinc/41/49/06/333414906.db2.gz UQONBWMYGQXBOR-HOTGVXAUSA-N 0 3 308.425 4.759 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 ZINC000320008846 333421217 /nfs/dbraw/zinc/42/12/17/333421217.db2.gz DWUJDTZCOCKPHT-HZPDHXFCSA-N 0 3 304.437 4.849 20 30 DJEDHN N#Cc1cccc(CN[C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000531791604 333559852 /nfs/dbraw/zinc/55/98/52/333559852.db2.gz QHPGNFBKSKUXCV-FQEVSTJZSA-N 0 3 308.400 4.718 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414159708 333914854 /nfs/dbraw/zinc/91/48/54/333914854.db2.gz BSKLGGNOFGUCJX-INIZCTEOSA-N 0 3 322.452 4.953 20 30 DJEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000277879417 334091458 /nfs/dbraw/zinc/09/14/58/334091458.db2.gz ZDSTYMWRBORQLI-OAHLLOKOSA-N 0 3 318.486 4.505 20 30 DJEDHN CC(C)[C@@H]1C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755681 334100975 /nfs/dbraw/zinc/10/09/75/334100975.db2.gz OCLZURYOMHWDCH-SFTDATJTSA-N 0 3 320.436 4.563 20 30 DJEDHN C[C@@H](NCCCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000278940745 334104025 /nfs/dbraw/zinc/10/40/25/334104025.db2.gz YBBKWRPGAKTCKV-OAHLLOKOSA-N 0 3 311.429 4.712 20 30 DJEDHN C[C@@H](NCCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000279005267 334104684 /nfs/dbraw/zinc/10/46/84/334104684.db2.gz UIBJRMGPYRZNFF-SNVBAGLBSA-N 0 3 319.396 4.533 20 30 DJEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160120 334156467 /nfs/dbraw/zinc/15/64/67/334156467.db2.gz BRUJTVYSBZTNON-XYJFISCASA-N 0 3 321.424 4.607 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1coc2ccccc12 ZINC000340423516 334197675 /nfs/dbraw/zinc/19/76/75/334197675.db2.gz DUCDZGQFVYCPBT-FQEVSTJZSA-N 0 3 316.404 4.862 20 30 DJEDHN N#CCCC[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436710 334200871 /nfs/dbraw/zinc/20/08/71/334200871.db2.gz SWSODRSTDPFJOR-VQTJNVASSA-N 0 3 308.400 4.838 20 30 DJEDHN N#CCCC[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438779 334202190 /nfs/dbraw/zinc/20/21/90/334202190.db2.gz ALNZRQKOEWPIHM-WOJBJXKFSA-N 0 3 308.400 4.838 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444201 334203003 /nfs/dbraw/zinc/20/30/03/334203003.db2.gz GYCHNAAPBKVEMI-BEFAXECRSA-N 0 3 323.396 4.681 20 30 DJEDHN CCc1cccnc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340455063 334207278 /nfs/dbraw/zinc/20/72/78/334207278.db2.gz UREKOVUCRZNSPC-VQIMIIECSA-N 0 3 307.441 4.730 20 30 DJEDHN C[C@@H](NCc1cc(Cl)cc2cccnc21)c1ccc(C#N)cc1 ZINC000531912845 334290807 /nfs/dbraw/zinc/29/08/07/334290807.db2.gz ZOIQQQXCPCSTMY-CYBMUJFWSA-N 0 3 321.811 4.611 20 30 DJEDHN CCN(Cc1ccnc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000535081504 334365910 /nfs/dbraw/zinc/36/59/10/334365910.db2.gz ZZKWUODTLGNSNX-INIZCTEOSA-N 0 3 315.420 4.690 20 30 DJEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341711653 334472801 /nfs/dbraw/zinc/47/28/01/334472801.db2.gz PHITWCBBZREDEA-PMACEKPBSA-N 0 3 308.400 4.816 20 30 DJEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 ZINC000341759118 334477667 /nfs/dbraw/zinc/47/76/67/334477667.db2.gz DMTCTBIONMIAKK-SFTDATJTSA-N 0 3 304.437 4.985 20 30 DJEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 ZINC000417354527 334707022 /nfs/dbraw/zinc/70/70/22/334707022.db2.gz MBRFOPFPIULSJG-SPLOXXLWSA-N 0 3 302.421 4.774 20 30 DJEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000112525281 334717333 /nfs/dbraw/zinc/71/73/33/334717333.db2.gz JZUFOZFPCCPXFY-CHWSQXEVSA-N 0 3 314.816 4.632 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000417368981 334764394 /nfs/dbraw/zinc/76/43/94/334764394.db2.gz QUVTZWCEDATCFL-NHCUHLMSSA-N 0 3 320.436 4.685 20 30 DJEDHN C=CCC[C@@H](NCc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1 ZINC000345014744 335291378 /nfs/dbraw/zinc/29/13/78/335291378.db2.gz GRCPVTJIXHEZSV-MRXNPFEDSA-N 0 3 323.362 4.534 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000191633160 335783686 /nfs/dbraw/zinc/78/36/86/335783686.db2.gz OODVAAYGODQLJX-GJZGRUSLSA-N 0 3 320.392 4.747 20 30 DJEDHN C=C(C)[C@H](NC1CCC2(CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000519817335 335897930 /nfs/dbraw/zinc/89/79/30/335897930.db2.gz QULWLGTUXDAAOI-OBONGRFPSA-N 0 3 321.411 4.663 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000351061904 336009796 /nfs/dbraw/zinc/00/97/96/336009796.db2.gz HVVBKCQFKWBCEJ-HXUWFJFHSA-N 0 3 320.436 4.588 20 30 DJEDHN N#CCCC[C@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000353913218 336447639 /nfs/dbraw/zinc/44/76/39/336447639.db2.gz HUYVBBKNEPJLNZ-FQEVSTJZSA-N 0 3 315.420 4.760 20 30 DJEDHN CC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026070 336654018 /nfs/dbraw/zinc/65/40/18/336654018.db2.gz DSPMLDZLFVJQRA-UXHICEINSA-N 0 3 308.400 4.816 20 30 DJEDHN C[C@@H](N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000118397747 337850448 /nfs/dbraw/zinc/85/04/48/337850448.db2.gz YKCHZUSMOKYMPT-VLIAUNLRSA-N 0 3 308.400 4.889 20 30 DJEDHN Cc1cccc(COc2ccc([C@@H](C)NCCCC#N)cc2)c1 ZINC000537099298 337890327 /nfs/dbraw/zinc/89/03/27/337890327.db2.gz RFISOBARXBJSTL-QGZVFWFLSA-N 0 3 308.425 4.528 20 30 DJEDHN N#Cc1ccc(CNCc2ccc(Oc3ccccc3)cc2)cc1 ZINC000061079297 337925324 /nfs/dbraw/zinc/92/53/24/337925324.db2.gz QYBVRPKHJLHQCZ-UHFFFAOYSA-N 0 3 314.388 4.640 20 30 DJEDHN Cc1[nH]c2c(cc(C)cc2CN[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000537295794 337929071 /nfs/dbraw/zinc/92/90/71/337929071.db2.gz PJBVUMFRAPASMX-INIZCTEOSA-N 0 3 317.436 4.816 20 30 DJEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406667 337933686 /nfs/dbraw/zinc/93/36/86/337933686.db2.gz JPPYPGVXGILCRP-VBKZILBWSA-N 0 3 308.400 4.889 20 30 DJEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430733227 338112643 /nfs/dbraw/zinc/11/26/43/338112643.db2.gz DWOMORSSIDAJQG-HNNXBMFYSA-N 0 3 310.363 4.686 20 30 DJEDHN CC(C)(C#N)CCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432010192 338143660 /nfs/dbraw/zinc/14/36/60/338143660.db2.gz ALNHAKCSXRNEJP-KRWDZBQOSA-N 0 3 306.400 4.822 20 30 DJEDHN CC(C)Oc1ccccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433020108 338176565 /nfs/dbraw/zinc/17/65/65/338176565.db2.gz BJXKSIFIPCIYIN-HXUWFJFHSA-N 0 3 322.452 4.999 20 30 DJEDHN N#CCCC[C@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000433020854 338176805 /nfs/dbraw/zinc/17/68/05/338176805.db2.gz UVPGWXHOPCVEQB-FQEVSTJZSA-N 0 3 322.839 4.716 20 30 DJEDHN CC(C)(C#N)CCCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313871 338191559 /nfs/dbraw/zinc/19/15/59/338191559.db2.gz SHBNIQWYBPWUMB-MRXNPFEDSA-N 0 3 304.865 4.849 20 30 DJEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)(c2ccccc2)CC1 ZINC000434497604 338218411 /nfs/dbraw/zinc/21/84/11/338218411.db2.gz OHSAUWGQIKKDTL-MRXNPFEDSA-N 0 3 308.400 4.580 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000435664741 338244589 /nfs/dbraw/zinc/24/45/89/338244589.db2.gz NQWFEYZRYISYAX-OZVIIMIRSA-N 0 3 314.256 4.625 20 30 DJEDHN CC(C)N(Cc1cc2c(cccc2F)[nH]1)Cc1ccc(C#N)cc1 ZINC000437574501 338313980 /nfs/dbraw/zinc/31/39/80/338313980.db2.gz COYZMMXFFUUICS-UHFFFAOYSA-N 0 3 321.399 4.589 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777742 338430596 /nfs/dbraw/zinc/43/05/96/338430596.db2.gz AAZFYUTWJSHOTL-ZMYBRWDISA-N 0 3 310.828 4.711 20 30 DJEDHN Cc1ccc(Oc2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442780221 338430704 /nfs/dbraw/zinc/43/07/04/338430704.db2.gz MNGCSSIGVGMBOI-SJLPKXTDSA-N 0 3 306.409 4.569 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000442820164 338433492 /nfs/dbraw/zinc/43/34/92/338433492.db2.gz ARPJBILHSFSAIH-XKQJLSEDSA-N 0 3 322.374 4.995 20 30 DJEDHN CCCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447534100 338554934 /nfs/dbraw/zinc/55/49/34/338554934.db2.gz ZWRIQXAWKUEPGS-FQEVSTJZSA-N 0 3 308.425 4.588 20 30 DJEDHN CC[C@H](N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539874 338555424 /nfs/dbraw/zinc/55/54/24/338555424.db2.gz HZNDKEWQDAROOZ-LEWJYISDSA-N 0 3 320.436 4.759 20 30 DJEDHN CC[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000447592959 338560587 /nfs/dbraw/zinc/56/05/87/338560587.db2.gz OYZNZWIZUVVYCK-OALUTQOASA-N 0 3 324.399 4.652 20 30 DJEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000160652956 338560672 /nfs/dbraw/zinc/56/06/72/338560672.db2.gz GAAUVLFDVGAAJN-KRWDZBQOSA-N 0 3 302.780 4.592 20 30 DJEDHN C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000162543180 338630183 /nfs/dbraw/zinc/63/01/83/338630183.db2.gz BHTPZZODFYSNMX-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN C[C@@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2sccc21 ZINC000453171357 338802321 /nfs/dbraw/zinc/80/23/21/338802321.db2.gz IWBNFNXRGORBLU-DYVFJYSZSA-N 0 3 308.450 4.837 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000195614523 338910246 /nfs/dbraw/zinc/91/02/46/338910246.db2.gz PCKCOAIRWLITCQ-KSSFIOAISA-N 0 3 308.425 4.824 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000195614525 338910255 /nfs/dbraw/zinc/91/02/55/338910255.db2.gz PCKCOAIRWLITCQ-KBXCAEBGSA-N 0 3 308.425 4.824 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000461399507 339063165 /nfs/dbraw/zinc/06/31/65/339063165.db2.gz GDXQXZBITLYTLX-UHFFFAOYSA-N 0 3 314.379 4.908 20 30 DJEDHN CC(N[C@H]1CCC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245443 339111681 /nfs/dbraw/zinc/11/16/81/339111681.db2.gz CHBVPGVTTYQQLH-XLIONFOSSA-N 0 3 304.437 4.622 20 30 DJEDHN CC(C)[C@H](c1ccccc1Cl)N(C)CCCSCC#N ZINC000466730408 339214521 /nfs/dbraw/zinc/21/45/21/339214521.db2.gz FCXZALUQHIYEBQ-MRXNPFEDSA-N 0 3 310.894 4.616 20 30 DJEDHN CC(C)[C@@H](c1ccccc1Cl)N(C)CCCSCC#N ZINC000466730407 339214658 /nfs/dbraw/zinc/21/46/58/339214658.db2.gz FCXZALUQHIYEBQ-INIZCTEOSA-N 0 3 310.894 4.616 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476284 339263738 /nfs/dbraw/zinc/26/37/38/339263738.db2.gz SBTLPHXCZLXPSG-XJKCOSOUSA-N 0 3 311.256 4.911 20 30 DJEDHN N#CCCCCN1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469518981 339292324 /nfs/dbraw/zinc/29/23/24/339292324.db2.gz MEUVWEZKLWMHRH-MRXNPFEDSA-N 0 3 310.363 4.926 20 30 DJEDHN CSc1ccccc1CN(C)Cc1ccccc1C(C)(C)C#N ZINC000470993477 339334080 /nfs/dbraw/zinc/33/40/80/339334080.db2.gz CFSHHGDQMBXBSV-UHFFFAOYSA-N 0 3 324.493 4.842 20 30 DJEDHN Cc1cccc(C(N[C@@H]2CC[C@@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597781 339348812 /nfs/dbraw/zinc/34/88/12/339348812.db2.gz HGYUOQLEMSHBFC-YLJYHZDGSA-N 0 3 304.437 4.675 20 30 DJEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@H]1CC[C@@H](C#N)C1 ZINC000471599456 339348993 /nfs/dbraw/zinc/34/89/93/339348993.db2.gz SJDVKEZYCUEKHL-KMFMINBZSA-N 0 3 320.864 4.718 20 30 DJEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619021 339349875 /nfs/dbraw/zinc/34/98/75/339349875.db2.gz MCBWLPQGMDTXEM-MAZHCROVSA-N 0 3 310.363 4.828 20 30 DJEDHN Cc1ccc2[nH]c(CN[C@@H](C)c3ccc(C#N)cc3)cc2c1C ZINC000472047537 339360748 /nfs/dbraw/zinc/36/07/48/339360748.db2.gz KTNWMADBODGTCG-HNNXBMFYSA-N 0 3 303.409 4.507 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Cl)s1 ZINC000481638844 339608140 /nfs/dbraw/zinc/60/81/40/339608140.db2.gz AWDYRYBOHXFRSH-MRXNPFEDSA-N 0 3 316.857 4.830 20 30 DJEDHN CC(C)C[C@H](NCc1ccc(C#N)c(F)c1)c1cccs1 ZINC000483710756 339672328 /nfs/dbraw/zinc/67/23/28/339672328.db2.gz NDFMOYLIKOONMY-INIZCTEOSA-N 0 3 302.418 4.636 20 30 DJEDHN Cc1c2ccccc2oc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000485010305 339697353 /nfs/dbraw/zinc/69/73/53/339697353.db2.gz VDJJEPRCMOGOLK-HNNXBMFYSA-N 0 3 304.393 4.658 20 30 DJEDHN Cc1cc(CN[C@H](C)c2cccc3ccccc32)ccc1C#N ZINC000488113322 339770763 /nfs/dbraw/zinc/77/07/63/339770763.db2.gz JCHKJNHBPNZERE-MRXNPFEDSA-N 0 3 300.405 4.871 20 30 DJEDHN C=CC[C@H](C)N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795297 340023436 /nfs/dbraw/zinc/02/34/36/340023436.db2.gz OETJGYXSRAJKTA-LRDDRELGSA-N 0 3 320.230 4.686 20 30 DJEDHN C=CCOc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000500244656 340053961 /nfs/dbraw/zinc/05/39/61/340053961.db2.gz RIDGKTUPNWKSAO-HXUWFJFHSA-N 0 3 311.400 4.558 20 30 DJEDHN Cc1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N ZINC000500431482 340058552 /nfs/dbraw/zinc/05/85/52/340058552.db2.gz XTWOXBJOWLABQT-AUUYWEPGSA-N 0 3 310.828 4.545 20 30 DJEDHN COc1cc(C#N)ccc1CNC1(c2ccccc2)CCCCC1 ZINC000501248331 340077047 /nfs/dbraw/zinc/07/70/47/340077047.db2.gz NCHGUIJMWQUJRS-UHFFFAOYSA-N 0 3 320.436 4.516 20 30 DJEDHN CC(C)(CCC#N)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000506370413 340193409 /nfs/dbraw/zinc/19/34/09/340193409.db2.gz QCKGDNJFDGYFJS-UHFFFAOYSA-N 0 3 302.849 4.759 20 30 DJEDHN C=CCOc1ccc(CN(C)[C@H](C)c2cccs2)cc1OC ZINC000507433506 340219449 /nfs/dbraw/zinc/21/94/49/340219449.db2.gz LVWXBQMNBLJMBK-CQSZACIVSA-N 0 3 317.454 4.515 20 30 DJEDHN CC(C)Cc1ccc([C@@H](NCc2cccc(C#N)c2)C2CC2)cc1 ZINC000508076043 340238866 /nfs/dbraw/zinc/23/88/66/340238866.db2.gz AKSJHYQCZXKKHN-JOCHJYFZSA-N 0 3 318.464 4.998 20 30 DJEDHN CC(C)Cc1ccc([C@@H](NCc2ccc(C#N)cc2)C2CC2)cc1 ZINC000508077572 340238888 /nfs/dbraw/zinc/23/88/88/340238888.db2.gz IJFPLBVUAURGJN-JOCHJYFZSA-N 0 3 318.464 4.998 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000508580245 340246957 /nfs/dbraw/zinc/24/69/57/340246957.db2.gz DYKUMGMRPHALLM-INIZCTEOSA-N 0 3 308.425 4.540 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](C)C2 ZINC000512294728 340356039 /nfs/dbraw/zinc/35/60/39/340356039.db2.gz KBDPJYHKVPDEPE-PJSUUKDQSA-N 0 3 308.400 4.590 20 30 DJEDHN C=C(C)CN(CCCc1ccsc1)Cc1cnn(C(C)C)c1 ZINC000512556722 340366685 /nfs/dbraw/zinc/36/66/85/340366685.db2.gz FZSJCMMCVPSSSN-UHFFFAOYSA-N 0 3 317.502 4.536 20 30 DJEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000512665139 340371862 /nfs/dbraw/zinc/37/18/62/340371862.db2.gz DRIGBMXDHZGYSJ-KGLIPLIRSA-N 0 3 314.429 4.529 20 30 DJEDHN Cc1cc(C)cc(-c2ccc(CN3CCC(C#N)CC3)cc2)c1 ZINC000512690041 340373237 /nfs/dbraw/zinc/37/32/37/340373237.db2.gz LBZICYJTFBMQKC-UHFFFAOYSA-N 0 3 304.437 4.706 20 30 DJEDHN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000404073808 340376871 /nfs/dbraw/zinc/37/68/71/340376871.db2.gz MOCATDTZYVVSGF-GFCCVEGCSA-N 0 3 302.780 4.544 20 30 DJEDHN CC(C)(CCC#N)CN1Cc2ccccc2-c2ccccc2C1 ZINC000513111367 340393870 /nfs/dbraw/zinc/39/38/70/340393870.db2.gz DDOILYXVQNERQK-UHFFFAOYSA-N 0 3 304.437 4.999 20 30 DJEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000192147381 340563082 /nfs/dbraw/zinc/56/30/82/340563082.db2.gz PAEIGIDANSYLRR-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN CC(C)(C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000236627440 340663158 /nfs/dbraw/zinc/66/31/58/340663158.db2.gz RRMVROCPTNESHE-LJQANCHMSA-N 0 3 310.416 4.964 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccc(OC)cc2)cc1 ZINC000236943727 340666742 /nfs/dbraw/zinc/66/67/42/340666742.db2.gz HITDPYDCDOLHMD-FQEVSTJZSA-N 0 3 311.425 4.501 20 30 DJEDHN C[C@H](N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(C#N)c1 ZINC000539494202 340887105 /nfs/dbraw/zinc/88/71/05/340887105.db2.gz BCNOJFJBFAYWRU-PJSUUKDQSA-N 0 3 308.400 4.672 20 30 DJEDHN CC1(C)CC[C@@H]2C[C@H](NCc3cccc(C#N)c3)c3cccc1c32 ZINC000540689605 340941642 /nfs/dbraw/zinc/94/16/42/340941642.db2.gz ZWPBDIUCWWLJHB-XLIONFOSSA-N 0 3 316.448 4.948 20 30 DJEDHN N#CCc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000542254224 341002104 /nfs/dbraw/zinc/00/21/04/341002104.db2.gz QQWDENHMXNTSKV-NRFANRHFSA-N 0 3 322.427 4.913 20 30 DJEDHN N#CCc1ccc(CNC2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000542258404 341002351 /nfs/dbraw/zinc/00/23/51/341002351.db2.gz ARUBSZNQTYOKEW-UHFFFAOYSA-N 0 3 324.855 4.965 20 30 DJEDHN Cc1ccccc1COc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000542499974 341010662 /nfs/dbraw/zinc/01/06/62/341010662.db2.gz HIQIOQAUUUZVPH-QGZVFWFLSA-N 0 3 308.425 4.528 20 30 DJEDHN C[C@@H]1C[C@H]1[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183259 341035629 /nfs/dbraw/zinc/03/56/29/341035629.db2.gz LRLDXWJONRIPRG-XMCHAPAWSA-N 0 3 324.855 4.893 20 30 DJEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000543185371 341035790 /nfs/dbraw/zinc/03/57/90/341035790.db2.gz KTQKARDTPZBNJQ-CYBMUJFWSA-N 0 3 318.342 4.622 20 30 DJEDHN N#CCCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000543411516 341042784 /nfs/dbraw/zinc/04/27/84/341042784.db2.gz PMZSCNMMUYSOLZ-UHFFFAOYSA-N 0 3 324.371 4.827 20 30 DJEDHN CC(C)C[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000543487822 341047097 /nfs/dbraw/zinc/04/70/97/341047097.db2.gz RNPBAWRSUCDVRH-INIZCTEOSA-N 0 3 302.418 4.636 20 30 DJEDHN C[C@@H](N[C@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602139 341050806 /nfs/dbraw/zinc/05/08/06/341050806.db2.gz GRCFCZKRSJWTIA-YJYMSZOUSA-N 0 3 310.828 4.940 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872192 341143659 /nfs/dbraw/zinc/14/36/59/341143659.db2.gz XBHHRJHUHAYABV-BZUAXINKSA-N 0 3 310.363 4.623 20 30 DJEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 ZINC000236733838 341197343 /nfs/dbraw/zinc/19/73/43/341197343.db2.gz VERUMXVNGXXSMG-UHFFFAOYSA-N 0 3 323.223 4.525 20 30 DJEDHN Cc1cccc(-c2cccc(CNCc3cc(C#N)cs3)c2)c1 ZINC000237814470 341221220 /nfs/dbraw/zinc/22/12/20/341221220.db2.gz FGCDOFCICDBUOG-UHFFFAOYSA-N 0 3 318.445 4.885 20 30 DJEDHN C=CCCN[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000547749539 341230258 /nfs/dbraw/zinc/23/02/58/341230258.db2.gz JQSGMPHTHXOPAJ-GFCCVEGCSA-N 0 3 311.269 4.865 20 30 DJEDHN CCCC[C@@H](CC)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548793841 341276001 /nfs/dbraw/zinc/27/60/01/341276001.db2.gz XGOTUJZHWIBQAA-GOSISDBHSA-N 0 3 313.489 4.545 20 30 DJEDHN Cc1ccccc1C(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000550263075 341313833 /nfs/dbraw/zinc/31/38/33/341313833.db2.gz VYZPZAQQLDKBOF-UHFFFAOYSA-N 0 3 306.453 4.821 20 30 DJEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000246138194 341328943 /nfs/dbraw/zinc/32/89/43/341328943.db2.gz FUJOMOZHSXSLAK-NVGVWMPQSA-N 0 3 316.857 4.760 20 30 DJEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000551557852 341345487 /nfs/dbraw/zinc/34/54/87/341345487.db2.gz MKSSKELDNRVPJG-GOSISDBHSA-N 0 3 310.828 4.942 20 30 DJEDHN Cc1cc(C)c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C ZINC000551564857 341345673 /nfs/dbraw/zinc/34/56/73/341345673.db2.gz QHVJMOOSRZVFCN-QGZVFWFLSA-N 0 3 304.437 4.823 20 30 DJEDHN CC(C)(C#N)CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000551775677 341350919 /nfs/dbraw/zinc/35/09/19/341350919.db2.gz KIUNDSDCCLSWIO-UHFFFAOYSA-N 0 3 310.363 4.610 20 30 DJEDHN C[C@@H]1C[C@H]1[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000247335930 341363739 /nfs/dbraw/zinc/36/37/39/341363739.db2.gz NFCAKUBDMMUVLM-LQAWEQHXSA-N 0 3 316.857 4.760 20 30 DJEDHN Cc1cc(C)cc([C@H](C)NCc2ccccc2C(C)(C)C#N)c1 ZINC000552969104 341411075 /nfs/dbraw/zinc/41/10/75/341411075.db2.gz HOMXOUXPMPUAFO-KRWDZBQOSA-N 0 3 306.453 4.955 20 30 DJEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(C2CC2)c1 ZINC000556151534 341495744 /nfs/dbraw/zinc/49/57/44/341495744.db2.gz PFRPBNFBWRRTTK-HNNXBMFYSA-N 0 3 302.421 4.776 20 30 DJEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000564740229 341508096 /nfs/dbraw/zinc/50/80/96/341508096.db2.gz CRNYHGTXOCKLJI-AWEZNQCLSA-N 0 3 304.368 4.701 20 30 DJEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000564740232 341508118 /nfs/dbraw/zinc/50/81/18/341508118.db2.gz CRNYHGTXOCKLJI-CQSZACIVSA-N 0 3 304.368 4.701 20 30 DJEDHN C/C(=C\c1ccccc1C(F)(F)F)CN1CCC(CC#N)CC1 ZINC000565375151 341525466 /nfs/dbraw/zinc/52/54/66/341525466.db2.gz VDGCXZUUGUIXBY-WYMLVPIESA-N 0 3 322.374 4.734 20 30 DJEDHN CC(C)(NCc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000565984392 341544628 /nfs/dbraw/zinc/54/46/28/341544628.db2.gz VOCJETAHLHRGFK-UHFFFAOYSA-N 0 3 318.342 4.602 20 30 DJEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000567798265 341634108 /nfs/dbraw/zinc/63/41/08/341634108.db2.gz FYBAMDBHDMHDIZ-UBWHGVKJSA-N 0 3 320.411 4.598 20 30 DJEDHN CC(C)Oc1ccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569055313 341689578 /nfs/dbraw/zinc/68/95/78/341689578.db2.gz FUQSDTMQBGZKGL-YCRPNKLZSA-N 0 3 320.436 4.684 20 30 DJEDHN CCCCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173934315 341821780 /nfs/dbraw/zinc/82/17/80/341821780.db2.gz BZTWJZWSIHFECB-INIZCTEOSA-N 0 3 308.425 4.588 20 30 DJEDHN N#CCC1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000576522556 341850668 /nfs/dbraw/zinc/85/06/68/341850668.db2.gz OZMIWVINJXJWNH-UHFFFAOYSA-N 0 3 311.256 4.552 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000176964636 341908108 /nfs/dbraw/zinc/90/81/08/341908108.db2.gz YEAKGAPIFOPMIZ-QGZVFWFLSA-N 0 3 316.857 4.904 20 30 DJEDHN N#Cc1csc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000177681263 341923604 /nfs/dbraw/zinc/92/36/04/341923604.db2.gz RYGPBHADJFIYNG-FQEVSTJZSA-N 0 3 318.445 4.693 20 30 DJEDHN N#Cc1ccc(F)c(CN[C@H](c2ccccc2)C2CCCC2)c1 ZINC000533387083 331513350 /nfs/dbraw/zinc/51/33/50/331513350.db2.gz ZNEFJFKCPMFBMA-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN C=CCC[C@H](NCCc1csc(C(C)C)n1)c1ccco1 ZINC000556873377 331746132 /nfs/dbraw/zinc/74/61/32/331746132.db2.gz WLHBJTXXEZTMFJ-HNNXBMFYSA-N 0 3 304.459 4.699 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1csc2ccccc12 ZINC000557518161 331796840 /nfs/dbraw/zinc/79/68/40/331796840.db2.gz VEINYRBHUQJYMN-IBGZPJMESA-N 0 3 318.445 4.940 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1csc2ccccc12 ZINC000557518163 331796866 /nfs/dbraw/zinc/79/68/66/331796866.db2.gz VEINYRBHUQJYMN-LJQANCHMSA-N 0 3 318.445 4.940 20 30 DJEDHN Cc1ccccc1[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000584142878 331840933 /nfs/dbraw/zinc/84/09/33/331840933.db2.gz XNNLOTNXTMMIIQ-NHCUHLMSSA-N 0 3 304.437 4.841 20 30 DJEDHN C[C@@H](NCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000558506301 331914376 /nfs/dbraw/zinc/91/43/76/331914376.db2.gz YYJVBWQTLUUENB-CYBMUJFWSA-N 0 3 300.352 4.586 20 30 DJEDHN C=CCOc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 ZINC000518275942 332004889 /nfs/dbraw/zinc/00/48/89/332004889.db2.gz YIAFZKVRYDVGIZ-OAQYLSRUSA-N 0 3 307.437 4.882 20 30 DJEDHN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](CCC#N)c1ccccc1 ZINC000090665031 332092102 /nfs/dbraw/zinc/09/21/02/332092102.db2.gz FHNREWQIRGRYGK-SFTDATJTSA-N 0 3 320.436 4.707 20 30 DJEDHN CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664949 332092219 /nfs/dbraw/zinc/09/22/19/332092219.db2.gz LOQQGWCBJUUJHL-VQTJNVASSA-N 0 3 320.436 4.707 20 30 DJEDHN N#CCCCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180931680 332165124 /nfs/dbraw/zinc/16/51/24/332165124.db2.gz OWZBGBXEWQJZRX-UHFFFAOYSA-N 0 3 322.330 4.749 20 30 DJEDHN C=CCCCN[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000448027362 332198341 /nfs/dbraw/zinc/19/83/41/332198341.db2.gz MQHGZCZEQDUJPK-JTQLQIEISA-N 0 3 321.314 4.506 20 30 DJEDHN C[C@@H](NC[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000559882618 332288262 /nfs/dbraw/zinc/28/82/62/332288262.db2.gz PDAJDNQWTPMCSH-WNYOCNMUSA-N 0 3 308.400 4.542 20 30 DJEDHN CC[C@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 ZINC000559879159 332288935 /nfs/dbraw/zinc/28/89/35/332288935.db2.gz ZIZGPPHDIYPMAZ-SFHVURJKSA-N 0 3 314.379 4.911 20 30 DJEDHN N#CC1(CN[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000560177203 332317187 /nfs/dbraw/zinc/31/71/87/332317187.db2.gz UTTZKJKFZUOLKN-IRXDYDNUSA-N 0 3 302.849 4.650 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 ZINC000560236577 332321367 /nfs/dbraw/zinc/32/13/67/332321367.db2.gz ZJHQREFOMUDOQH-HXUWFJFHSA-N 0 3 321.468 4.738 20 30 DJEDHN C=CCC[C@H](N[C@H]1CCO[C@@H](C(CC)CC)C1)c1ccco1 ZINC000560550019 332358446 /nfs/dbraw/zinc/35/84/46/332358446.db2.gz SUUQPFHXQBCMRL-JENIJYKNSA-N 0 3 305.462 4.860 20 30 DJEDHN Cc1cc(C)c(CNCc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237818833 332392000 /nfs/dbraw/zinc/39/20/00/332392000.db2.gz DSYBGJYPLWAXCS-UHFFFAOYSA-N 0 3 322.452 4.584 20 30 DJEDHN N#CCCCOc1cccc(CN[C@H]2CCCc3ccccc32)c1 ZINC000237826141 332392906 /nfs/dbraw/zinc/39/29/06/332392906.db2.gz JYZGDUGFXDKMKL-NRFANRHFSA-N 0 3 320.436 4.536 20 30 DJEDHN CC[C@H](NCc1c(C)oc2ccccc21)c1ccc(C#N)cc1 ZINC000569914573 332692465 /nfs/dbraw/zinc/69/24/65/332692465.db2.gz YQMYGUBCDFGBAT-IBGZPJMESA-N 0 3 304.393 4.854 20 30 DJEDHN C=CCC[C@@H](NCC(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000159879737 332720355 /nfs/dbraw/zinc/72/03/55/332720355.db2.gz VWWGTELYDHYTOQ-LJQANCHMSA-N 0 3 322.452 4.539 20 30 DJEDHN Cc1ccc([C@@H](C)NCc2ccccc2C(C)(C)C#N)cc1F ZINC000181343939 333030211 /nfs/dbraw/zinc/03/02/11/333030211.db2.gz WUWFDTWPJJTGQS-OAHLLOKOSA-N 0 3 310.416 4.786 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(OCC)cc2)cc1 ZINC000378879897 333059258 /nfs/dbraw/zinc/05/92/58/333059258.db2.gz CXIGHMQGVDPFRN-INIZCTEOSA-N 0 3 311.425 4.501 20 30 DJEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000174808855 333091061 /nfs/dbraw/zinc/09/10/61/333091061.db2.gz PNOBKIQYQBWPOT-OAHLLOKOSA-N 0 3 313.470 4.763 20 30 DJEDHN Cc1cccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000180543283 333162857 /nfs/dbraw/zinc/16/28/57/333162857.db2.gz WVEZOFWVYXKXPV-IAGOWNOFSA-N 0 3 308.425 4.618 20 30 DJEDHN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180539023 333162950 /nfs/dbraw/zinc/16/29/50/333162950.db2.gz VATIFZMHBUZXML-QRWLVFNGSA-N 0 3 320.436 4.662 20 30 DJEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685269 333171516 /nfs/dbraw/zinc/17/15/16/333171516.db2.gz BCOKTFZEWKCIFF-IERDGZPVSA-N 0 3 320.436 4.781 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000182090020 333175607 /nfs/dbraw/zinc/17/56/07/333175607.db2.gz FERZNLYKXKZVNU-XFQAVAEZSA-N 0 3 320.436 4.563 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](NC(c2cccs2)c2cccs2)C1 ZINC000185843565 333215012 /nfs/dbraw/zinc/21/50/12/333215012.db2.gz RHDKOBVRQLSJIF-CHWSQXEVSA-N 0 3 302.468 4.571 20 30 DJEDHN Cc1ccc([C@H](NCc2ccc(OCC#N)cc2)C2CCC2)cc1 ZINC000187326951 333230724 /nfs/dbraw/zinc/23/07/24/333230724.db2.gz VFAYXWUTHLLACB-OAQYLSRUSA-N 0 3 320.436 4.528 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 ZINC000320008841 333421063 /nfs/dbraw/zinc/42/10/63/333421063.db2.gz DWUJDTZCOCKPHT-CVEARBPZSA-N 0 3 304.437 4.849 20 30 DJEDHN C[C@H](NCc1ccc(Cl)c2cccnc12)c1ccc(C#N)cc1 ZINC000391169569 333422421 /nfs/dbraw/zinc/42/24/21/333422421.db2.gz FKASXYPOCPQCCA-ZDUSSCGKSA-N 0 3 321.811 4.611 20 30 DJEDHN N#Cc1cccc(CNC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000531698741 333547034 /nfs/dbraw/zinc/54/70/34/333547034.db2.gz QJQWPBROWWJXJY-UHFFFAOYSA-N 0 3 310.828 4.771 20 30 DJEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccccc1OCc1ccccc1 ZINC000411449462 333675343 /nfs/dbraw/zinc/67/53/43/333675343.db2.gz GLBSSHSDNWIDKE-DLBZAZTESA-N 0 3 308.425 4.608 20 30 DJEDHN C[C@H](CCC#N)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC000411449463 333675449 /nfs/dbraw/zinc/67/54/49/333675449.db2.gz GLBSSHSDNWIDKE-IAGOWNOFSA-N 0 3 308.425 4.608 20 30 DJEDHN Cc1nc(-c2cc([C@H](C)NCC(C)(C)CC#N)cs2)cs1 ZINC000414168414 333917120 /nfs/dbraw/zinc/91/71/20/333917120.db2.gz QQDVNNYFBYYFBI-NSHDSACASA-N 0 3 319.499 4.771 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271860998 334027723 /nfs/dbraw/zinc/02/77/23/334027723.db2.gz KJJWXACXRWHIQF-IERDGZPVSA-N 0 3 320.436 4.699 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274629033 334063993 /nfs/dbraw/zinc/06/39/93/334063993.db2.gz OMLMQHMZOWETFJ-FCEWJHQRSA-N 0 3 320.436 4.705 20 30 DJEDHN CC(C)(C#N)CCCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000277879414 334091590 /nfs/dbraw/zinc/09/15/90/334091590.db2.gz ZDSTYMWRBORQLI-HNNXBMFYSA-N 0 3 318.486 4.505 20 30 DJEDHN N#C[C@H]1CC[C@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721053 334191371 /nfs/dbraw/zinc/19/13/71/334191371.db2.gz APXOAECJSUAKSQ-ZFWWWQNUSA-N 0 3 320.889 4.589 20 30 DJEDHN N#CCCC[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430887 334199196 /nfs/dbraw/zinc/19/91/96/334199196.db2.gz HZIBBCHFGZUBGN-UXHICEINSA-N 0 3 320.436 4.794 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441741 334202419 /nfs/dbraw/zinc/20/24/19/334202419.db2.gz DLUZMAQLLPCUOP-FOIQADDNSA-N 0 3 321.399 4.783 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445976 334203404 /nfs/dbraw/zinc/20/34/04/334203404.db2.gz MLFNHMZNYVZXKZ-DNVCBOLYSA-N 0 3 323.396 4.681 20 30 DJEDHN Cc1nc(C)c([C@H](C)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000340446026 334203419 /nfs/dbraw/zinc/20/34/19/334203419.db2.gz NDLUNSBIHXTLSA-WMLDXEAASA-N 0 3 313.470 4.846 20 30 DJEDHN N#CCCC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000340445124 334203802 /nfs/dbraw/zinc/20/38/02/334203802.db2.gz KNAWGRFPSXMDII-LEWJYISDSA-N 0 3 315.420 4.570 20 30 DJEDHN N#CCCC[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447957 334204513 /nfs/dbraw/zinc/20/45/13/334204513.db2.gz QGSNTXKBGWWXQN-LEWJYISDSA-N 0 3 320.436 4.794 20 30 DJEDHN N#CCCC[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447958 334204547 /nfs/dbraw/zinc/20/45/47/334204547.db2.gz QGSNTXKBGWWXQN-NHCUHLMSSA-N 0 3 320.436 4.794 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453050 334205456 /nfs/dbraw/zinc/20/54/56/334205456.db2.gz RBFVHQYRRBYEMI-MAUKXSAKSA-N 0 3 322.408 4.501 20 30 DJEDHN COc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000340454923 334207270 /nfs/dbraw/zinc/20/72/70/334207270.db2.gz TUYATOQSSNYZTI-OXJNMPFZSA-N 0 3 308.425 4.781 20 30 DJEDHN CCN(Cc1ccnc2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000535081505 334366020 /nfs/dbraw/zinc/36/60/20/334366020.db2.gz ZZKWUODTLGNSNX-MRXNPFEDSA-N 0 3 315.420 4.690 20 30 DJEDHN Cc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)s1 ZINC000341756052 334477009 /nfs/dbraw/zinc/47/70/09/334477009.db2.gz BSXAOAOVYPSNAR-BFUOFWGJSA-N 0 3 310.466 4.965 20 30 DJEDHN C[C@@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000342801778 334573086 /nfs/dbraw/zinc/57/30/86/334573086.db2.gz YKGOMRMFBMHXJE-QRWLVFNGSA-N 0 3 302.421 4.776 20 30 DJEDHN N#Cc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccc1F ZINC000351094820 336013267 /nfs/dbraw/zinc/01/32/67/336013267.db2.gz DCLAPTKSLVSXIQ-FQEVSTJZSA-N 0 3 308.400 4.718 20 30 DJEDHN Cc1cccc(C2(NCc3ccc(C#N)cc3F)CCCC2)c1 ZINC000532567277 336255799 /nfs/dbraw/zinc/25/57/99/336255799.db2.gz HYNUJVSDNYLWLC-UHFFFAOYSA-N 0 3 308.400 4.565 20 30 DJEDHN CC(C)Oc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000192759193 336260723 /nfs/dbraw/zinc/26/07/23/336260723.db2.gz KCVRFLXHCXNEOE-CVEARBPZSA-N 0 3 308.425 4.757 20 30 DJEDHN Cc1cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016924 336286998 /nfs/dbraw/zinc/28/69/98/336286998.db2.gz ZWRRMMJWIUXTDD-KGLIPLIRSA-N 0 3 314.454 4.679 20 30 DJEDHN CCCC[C@@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000103172601 336375219 /nfs/dbraw/zinc/37/52/19/336375219.db2.gz WXECSWBMFOQHFW-HXUWFJFHSA-N 0 3 308.425 4.588 20 30 DJEDHN C=CCC[C@@H](N[C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250714 336408282 /nfs/dbraw/zinc/40/82/82/336408282.db2.gz GGPZSOORWXHPLQ-MAUKXSAKSA-N 0 3 311.425 4.759 20 30 DJEDHN N#CCCC[C@@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000353912181 336447514 /nfs/dbraw/zinc/44/75/14/336447514.db2.gz DUACIQVWDPZOPX-LJQANCHMSA-N 0 3 304.393 4.958 20 30 DJEDHN COCCCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000359027738 336654078 /nfs/dbraw/zinc/65/40/78/336654078.db2.gz JYVIMWKKWPAIGV-LAUBAEHRSA-N 0 3 322.452 4.767 20 30 DJEDHN N#CC1(CN[C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418144721 336896811 /nfs/dbraw/zinc/89/68/11/336896811.db2.gz UZLKSCUQPCWMIO-GOEBONIOSA-N 0 3 322.374 4.625 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(F)cc(Cl)c1 ZINC000418137634 336897391 /nfs/dbraw/zinc/89/73/91/336897391.db2.gz BYNLTBREHIEXSU-SFHVURJKSA-N 0 3 314.791 4.518 20 30 DJEDHN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 ZINC000584380408 337233101 /nfs/dbraw/zinc/23/31/01/337233101.db2.gz ZLGOSCRENINQQP-OAHLLOKOSA-N 0 3 324.390 4.556 20 30 DJEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805289 337250451 /nfs/dbraw/zinc/25/04/51/337250451.db2.gz FBRGAZSEWFZLPB-WHOFXGATSA-N 0 3 306.862 4.549 20 30 DJEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CCCC2)ccc1F ZINC000533063802 337806960 /nfs/dbraw/zinc/80/69/60/337806960.db2.gz WDHSTDOZRHJGFF-FQEVSTJZSA-N 0 3 308.400 4.718 20 30 DJEDHN C[C@H](NCc1ccc2sccc2c1)c1ccc(C#N)c(F)c1 ZINC000580501968 337840526 /nfs/dbraw/zinc/84/05/26/337840526.db2.gz XGOXCXJTIVTBRI-LBPRGKRZSA-N 0 3 310.397 4.763 20 30 DJEDHN CCSc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000426288701 338024702 /nfs/dbraw/zinc/02/47/02/338024702.db2.gz DLFUJGRZGDFQES-CYBMUJFWSA-N 0 3 314.429 4.660 20 30 DJEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc2cc(OC)ccc2c1 ZINC000430722398 338112402 /nfs/dbraw/zinc/11/24/02/338112402.db2.gz GEBSGHJJDNQQCZ-LJQANCHMSA-N 0 3 308.425 4.583 20 30 DJEDHN N#CCC1(CN[C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000430755180 338113756 /nfs/dbraw/zinc/11/37/56/338113756.db2.gz POVDREITTNVQQN-CQSZACIVSA-N 0 3 306.862 4.550 20 30 DJEDHN N#CCCC[C@@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000433020855 338176586 /nfs/dbraw/zinc/17/65/86/338176586.db2.gz UVPGWXHOPCVEQB-HXUWFJFHSA-N 0 3 322.839 4.716 20 30 DJEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)s1 ZINC000435281111 338236263 /nfs/dbraw/zinc/23/62/63/338236263.db2.gz VOKKZMZZQMKCCF-QGZVFWFLSA-N 0 3 302.418 4.588 20 30 DJEDHN COc1cc(CN[C@H](c2ccccc2C)C(C)(C)C)ccc1C#N ZINC000440615448 338392571 /nfs/dbraw/zinc/39/25/71/338392571.db2.gz HRZSOJKPYCVWLH-HXUWFJFHSA-N 0 3 322.452 4.752 20 30 DJEDHN CC[C@@H](NCc1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 ZINC000447528778 338554344 /nfs/dbraw/zinc/55/43/44/338554344.db2.gz ILMVDIVQKMPNLN-HXUWFJFHSA-N 0 3 308.425 4.586 20 30 DJEDHN CC[C@H](NCc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000447533490 338554757 /nfs/dbraw/zinc/55/47/57/338554757.db2.gz XTGJCLNYZXUZMK-NRFANRHFSA-N 0 3 300.405 4.952 20 30 DJEDHN CC[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000447592960 338560499 /nfs/dbraw/zinc/56/04/99/338560499.db2.gz OYZNZWIZUVVYCK-RBUKOAKNSA-N 0 3 324.399 4.652 20 30 DJEDHN C=CCC[C@@H](NCc1ccnn1C1CCCC1)c1ccccc1 ZINC000449198813 338601753 /nfs/dbraw/zinc/60/17/53/338601753.db2.gz DMBCGLZYKJCFQW-HXUWFJFHSA-N 0 3 309.457 4.795 20 30 DJEDHN C=CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000453182836 338803883 /nfs/dbraw/zinc/80/38/83/338803883.db2.gz XTLTWFXHQDUVIS-BLLLJJGKSA-N 0 3 323.362 4.787 20 30 DJEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101165 339105817 /nfs/dbraw/zinc/10/58/17/339105817.db2.gz CWUYSFBVLYNCGP-MYGLTJDJSA-N 0 3 316.448 4.562 20 30 DJEDHN COc1ccc(-c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000463298600 339114122 /nfs/dbraw/zinc/11/41/22/339114122.db2.gz DOMKWULITBTEHZ-XLIONFOSSA-N 0 3 320.436 4.534 20 30 DJEDHN COc1ccc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000466739459 339215188 /nfs/dbraw/zinc/21/51/88/339215188.db2.gz LXOBJAWDOFNDGN-MRXNPFEDSA-N 0 3 320.436 4.507 20 30 DJEDHN Cc1ccccc1[C@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000467421565 339237826 /nfs/dbraw/zinc/23/78/26/339237826.db2.gz YGKOGYAAQBFDOA-DJIMGWMZSA-N 0 3 308.400 4.603 20 30 DJEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583831 339348024 /nfs/dbraw/zinc/34/80/24/339348024.db2.gz BWMOQNIWKODGMY-MDASCCDHSA-N 0 3 310.828 4.711 20 30 DJEDHN CC(C)(C#N)CCCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000472428203 339371603 /nfs/dbraw/zinc/37/16/03/339371603.db2.gz FUMBWYXQCWUMFF-CQSZACIVSA-N 0 3 322.855 4.816 20 30 DJEDHN C=C(C)[C@H](NC[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417806 339533963 /nfs/dbraw/zinc/53/39/63/339533963.db2.gz GFODBTOPUOSACV-KUHUBIRLSA-N 0 3 323.427 4.624 20 30 DJEDHN COCCCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000479501014 339538258 /nfs/dbraw/zinc/53/82/58/339538258.db2.gz WFOGTXDPAQRFIS-DYESRHJHSA-N 0 3 322.452 4.767 20 30 DJEDHN CCOc1ccccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481654197 339608774 /nfs/dbraw/zinc/60/87/74/339608774.db2.gz CPGXDNUSTXEDDI-FQEVSTJZSA-N 0 3 320.436 4.514 20 30 DJEDHN N#Cc1csc(CN2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000482516754 339634475 /nfs/dbraw/zinc/63/44/75/339634475.db2.gz YPSCDLLOJKFODT-UHFFFAOYSA-N 0 3 316.857 4.653 20 30 DJEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483668867 339671423 /nfs/dbraw/zinc/67/14/23/339671423.db2.gz LVYOBBQPOLKFRQ-DZGCQCFKSA-N 0 3 317.408 4.580 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN[C@]1(C)CCCc2ccccc21 ZINC000483830430 339675502 /nfs/dbraw/zinc/67/55/02/339675502.db2.gz OIGLBHPAHJBMPD-JOCHJYFZSA-N 0 3 318.464 4.829 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000484070716 339680411 /nfs/dbraw/zinc/68/04/11/339680411.db2.gz SUVKJQBDZOSKFI-SFHVURJKSA-N 0 3 314.379 4.713 20 30 DJEDHN Cc1ccccc1[C@]1(F)CCN(CCCCC(C)(C)C#N)C1 ZINC000502953183 340117515 /nfs/dbraw/zinc/11/75/15/340117515.db2.gz PQFSUHVSLLTFTA-IBGZPJMESA-N 0 3 302.437 4.586 20 30 DJEDHN CCN(Cc1cccc(OCCCC#N)c1)Cc1ccccc1C ZINC000507112416 340207760 /nfs/dbraw/zinc/20/77/60/340207760.db2.gz VHSYFSNBWZSDFW-UHFFFAOYSA-N 0 3 322.452 4.700 20 30 DJEDHN CCN(Cc1ccccc1Br)CC(C)(C)CCC#N ZINC000507120122 340208273 /nfs/dbraw/zinc/20/82/73/340208273.db2.gz KBBXPIQHDCGTPJ-UHFFFAOYSA-N 0 3 323.278 4.601 20 30 DJEDHN Cc1ccc([C@H](C)N(C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000507195716 340212570 /nfs/dbraw/zinc/21/25/70/340212570.db2.gz VLFAQBGZWGJXBG-SFHVURJKSA-N 0 3 322.452 4.871 20 30 DJEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C#N)cc1 ZINC000507205358 340213310 /nfs/dbraw/zinc/21/33/10/340213310.db2.gz VZBONPUHWRESOA-CYBMUJFWSA-N 0 3 318.342 4.770 20 30 DJEDHN CN(CCc1cccc2ccccc21)Cc1ccc(C#N)cc1F ZINC000507305931 340216890 /nfs/dbraw/zinc/21/68/90/340216890.db2.gz PJNOQYDINCYDPR-UHFFFAOYSA-N 0 3 318.395 4.525 20 30 DJEDHN CCOc1ccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000507689875 340228316 /nfs/dbraw/zinc/22/83/16/340228316.db2.gz UZOHVRDJHBHASU-MRXNPFEDSA-N 0 3 308.425 4.540 20 30 DJEDHN Cc1ccc(-c2ccc(CN3CCC(C)(C#N)CC3)s2)cc1 ZINC000507711328 340229130 /nfs/dbraw/zinc/22/91/30/340229130.db2.gz XRDBFOZUDXFLIP-UHFFFAOYSA-N 0 3 310.466 4.849 20 30 DJEDHN CC(C)Cc1ccc([C@H](NCc2ccc(C#N)cc2)C2CC2)cc1 ZINC000508077573 340238856 /nfs/dbraw/zinc/23/88/56/340238856.db2.gz IJFPLBVUAURGJN-QFIPXVFZSA-N 0 3 318.464 4.998 20 30 DJEDHN C[C@H](NCCCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512654251 340371267 /nfs/dbraw/zinc/37/12/67/340371267.db2.gz KTVRGXIILFBYLC-AWEZNQCLSA-N 0 3 314.429 4.530 20 30 DJEDHN CCCc1ccc([C@@H](NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512808535 340378535 /nfs/dbraw/zinc/37/85/35/340378535.db2.gz CWQBZMNKXSOHIJ-NRFANRHFSA-N 0 3 306.453 4.998 20 30 DJEDHN C[C@H]1C[C@@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819661 340396628 /nfs/dbraw/zinc/39/66/28/340396628.db2.gz ZVUSMHWZZPHPQN-YOEHRIQHSA-N 0 3 300.446 4.697 20 30 DJEDHN CC(C)(C#N)c1ccccc1CNC1(c2ccccc2)CCC1 ZINC000178512018 340450213 /nfs/dbraw/zinc/45/02/13/340450213.db2.gz YLZIWQWNZGJEDT-UHFFFAOYSA-N 0 3 304.437 4.657 20 30 DJEDHN Cc1cc(CNCc2ccc(C#N)s2)ccc1-c1ccccc1 ZINC000189504735 340536841 /nfs/dbraw/zinc/53/68/41/340536841.db2.gz SXNBQQXEJTXOGV-UHFFFAOYSA-N 0 3 318.445 4.885 20 30 DJEDHN Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000191006090 340549037 /nfs/dbraw/zinc/54/90/37/340549037.db2.gz IPSCQAZLKUPJRK-ZDUSSCGKSA-N 0 3 318.342 4.736 20 30 DJEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000192149113 340563030 /nfs/dbraw/zinc/56/30/30/340563030.db2.gz PQENTQRUNUBSTI-QGZVFWFLSA-N 0 3 302.780 4.592 20 30 DJEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000522832939 340607598 /nfs/dbraw/zinc/60/75/98/340607598.db2.gz AOEGEEQGYMPSOU-INIZCTEOSA-N 0 3 322.427 4.713 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000538235300 340814492 /nfs/dbraw/zinc/81/44/92/340814492.db2.gz KUSGLGHLRWYVQM-HXUWFJFHSA-N 0 3 322.452 4.752 20 30 DJEDHN CCC(CC)[C@@H](NCc1ccc(C#N)s1)c1cccs1 ZINC000538393200 340820332 /nfs/dbraw/zinc/82/03/32/340820332.db2.gz OSVVPYZOIBDEMQ-MRXNPFEDSA-N 0 3 304.484 4.948 20 30 DJEDHN Cc1nc(-c2ccc([C@H](C)NCCC(C)(C)C#N)cc2)cs1 ZINC000538512196 340830323 /nfs/dbraw/zinc/83/03/23/340830323.db2.gz GNUKWZAXDRWJSV-ZDUSSCGKSA-N 0 3 313.470 4.709 20 30 DJEDHN Cc1ccsc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000539104369 340873561 /nfs/dbraw/zinc/87/35/61/340873561.db2.gz FZPIIWIAZSDQBT-UHFFFAOYSA-N 0 3 318.445 4.885 20 30 DJEDHN C=CCCC[C@H](C)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000540297215 340925664 /nfs/dbraw/zinc/92/56/64/340925664.db2.gz IRIWWXZRJPFHEC-AWEZNQCLSA-N 0 3 321.411 4.604 20 30 DJEDHN N#CCCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000542310278 341003962 /nfs/dbraw/zinc/00/39/62/341003962.db2.gz IWWSQFVCXHKSHW-UHFFFAOYSA-N 0 3 309.196 4.647 20 30 DJEDHN CCc1ccc(-c2ccc(CN3CCC(CC#N)CC3)o2)cc1 ZINC000542854963 341023662 /nfs/dbraw/zinc/02/36/62/341023662.db2.gz XMWJHLYQZUIOOX-UHFFFAOYSA-N 0 3 308.425 4.635 20 30 DJEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543139275 341033813 /nfs/dbraw/zinc/03/38/13/341033813.db2.gz PVOIDAYZLKMYCL-IBGZPJMESA-N 0 3 312.844 4.893 20 30 DJEDHN N#CCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000543783542 341058521 /nfs/dbraw/zinc/05/85/21/341058521.db2.gz XZIAIQKYGRXFQB-UHFFFAOYSA-N 0 3 306.409 4.605 20 30 DJEDHN CN(Cc1csc2ccccc12)Cc1ccc(CC#N)cc1 ZINC000544070188 341069123 /nfs/dbraw/zinc/06/91/23/341069123.db2.gz JPTDCSVMCCAKDM-UHFFFAOYSA-N 0 3 306.434 4.599 20 30 DJEDHN N#CCc1ccc(CN(Cc2ccoc2)C2CCCCC2)cc1 ZINC000544145810 341072188 /nfs/dbraw/zinc/07/21/88/341072188.db2.gz NBZCYUXKRIDLKL-UHFFFAOYSA-N 0 3 308.425 4.681 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@H](CC(C)C)c1cccs1 ZINC000544448280 341082575 /nfs/dbraw/zinc/08/25/75/341082575.db2.gz RPNOLRNNUZDYOK-MRXNPFEDSA-N 0 3 314.454 4.505 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000544896406 341098156 /nfs/dbraw/zinc/09/81/56/341098156.db2.gz DFQUDKNJAYXEKU-GJZGRUSLSA-N 0 3 322.427 4.988 20 30 DJEDHN COc1ccc([C@H](CCC#N)NC[C@@H](C)c2cccc(C)c2)cc1 ZINC000546308618 341162515 /nfs/dbraw/zinc/16/25/15/341162515.db2.gz NKKRVHWSUXXFDS-UTKZUKDTSA-N 0 3 322.452 4.742 20 30 DJEDHN COc1ccc2cc(CN[C@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000075755710 341182007 /nfs/dbraw/zinc/18/20/07/341182007.db2.gz JZFXQMKBVBQFQW-OAHLLOKOSA-N 0 3 316.404 4.571 20 30 DJEDHN CCOc1ccccc1[C@@H](CC(C)C)NCc1cccc(C#N)c1 ZINC000236986855 341205435 /nfs/dbraw/zinc/20/54/35/341205435.db2.gz ZSLCWXAGKGWMIE-HXUWFJFHSA-N 0 3 322.452 4.834 20 30 DJEDHN COc1cccc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000547751020 341230346 /nfs/dbraw/zinc/23/03/46/341230346.db2.gz GMMQMCMCLUUXMK-INIZCTEOSA-N 0 3 320.436 4.507 20 30 DJEDHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000135101925 341230997 /nfs/dbraw/zinc/23/09/97/341230997.db2.gz DDONRDZZFZOYCL-CQSZACIVSA-N 0 3 312.844 4.992 20 30 DJEDHN CCN(Cc1ccccc1C(C)(C)C#N)[C@H](C)c1cccc(O)c1 ZINC000135242985 341234200 /nfs/dbraw/zinc/23/42/00/341234200.db2.gz VLLSFIUCIDIHHP-MRXNPFEDSA-N 0 3 322.452 4.776 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000135674235 341243792 /nfs/dbraw/zinc/24/37/92/341243792.db2.gz JNLBJZQEEDGILM-MRXNPFEDSA-N 0 3 304.846 4.760 20 30 DJEDHN CC(C)(C)[C@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000135688181 341244179 /nfs/dbraw/zinc/24/41/79/341244179.db2.gz HXSDPONSVAGUHX-MRXNPFEDSA-N 0 3 302.418 4.636 20 30 DJEDHN N#Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c(F)c1 ZINC000548934798 341281503 /nfs/dbraw/zinc/28/15/03/341281503.db2.gz SSMCWIWNUNAYSZ-ACDBMABISA-N 0 3 320.411 4.608 20 30 DJEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535957 341296856 /nfs/dbraw/zinc/29/68/56/341296856.db2.gz MUVUCOLQOPJPNF-BQFCYCMXSA-N 0 3 306.409 4.822 20 30 DJEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865793 341305439 /nfs/dbraw/zinc/30/54/39/341305439.db2.gz DCQGZJGCMUQVBT-ZFWWWQNUSA-N 0 3 322.374 4.577 20 30 DJEDHN N#CC1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000551561371 341345424 /nfs/dbraw/zinc/34/54/24/341345424.db2.gz ZCQIWGKZQFZXGF-UHFFFAOYSA-N 0 3 310.828 4.743 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CCC2 ZINC000551802868 341352204 /nfs/dbraw/zinc/35/22/04/341352204.db2.gz VYUAFZNAGAYXGX-FQEVSTJZSA-N 0 3 302.421 4.523 20 30 DJEDHN C=CCC[C@H](NCCc1nc2c(cccc2C)o1)c1ccco1 ZINC000552045316 341364605 /nfs/dbraw/zinc/36/46/05/341364605.db2.gz CTZDGFCUBXYEMS-HNNXBMFYSA-N 0 3 310.397 4.569 20 30 DJEDHN C=CCOc1ccc(CN[C@H](c2ccc(C)o2)C2CCC2)cc1 ZINC000552323237 341386392 /nfs/dbraw/zinc/38/63/92/341386392.db2.gz AXGNZLZMLIADHC-FQEVSTJZSA-N 0 3 311.425 4.784 20 30 DJEDHN CCOc1cccc2cc([C@H](C)N[C@H]3CCC[C@@H](C#N)C3)oc21 ZINC000248826199 341387842 /nfs/dbraw/zinc/38/78/42/341387842.db2.gz LYIVWRVSICIOGO-LZWOXQAQSA-N 0 3 312.413 4.564 20 30 DJEDHN CC(C)(CCC#N)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000554065413 341442181 /nfs/dbraw/zinc/44/21/81/341442181.db2.gz XNRXYSBUXQSFLA-IBGZPJMESA-N 0 3 310.416 4.835 20 30 DJEDHN CCOc1ccccc1[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000565850392 341540078 /nfs/dbraw/zinc/54/00/78/341540078.db2.gz LQCVBELZIYFLHC-YWZLYKJASA-N 0 3 320.436 4.685 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000154474553 341589822 /nfs/dbraw/zinc/58/98/22/341589822.db2.gz QCPBJNAODIOSNZ-GOSISDBHSA-N 0 3 314.429 4.780 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc2ccccc2o1 ZINC000568156258 341654791 /nfs/dbraw/zinc/65/47/91/341654791.db2.gz OPQWZXCBNOQVRP-FQEVSTJZSA-N 0 3 316.404 4.862 20 30 DJEDHN CC(C)(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000568334031 341665833 /nfs/dbraw/zinc/66/58/33/341665833.db2.gz QIPWJWAMTQQWIZ-UXHICEINSA-N 0 3 304.437 4.923 20 30 DJEDHN C=C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444623811 517317781 /nfs/dbraw/zinc/31/77/81/517317781.db2.gz KQUHYISLYPMXQC-UHFFFAOYSA-N 0 3 316.448 4.538 20 30 DJEDHN CC(C)(NCc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000267170234 519322880 /nfs/dbraw/zinc/32/28/80/519322880.db2.gz HUAIZUYZZCAXOK-UHFFFAOYSA-N 0 3 324.371 4.663 20 30 DJEDHN C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000192737852 525629152 /nfs/dbraw/zinc/62/91/52/525629152.db2.gz BMZPTLYEXXSECS-SJCJKPOMSA-N 0 3 312.413 4.585 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973532 185137948 /nfs/dbraw/zinc/13/79/48/185137948.db2.gz SGLCAODVSBBAEX-OLZOCXBDSA-N 0 3 316.351 4.571 20 30 DJEDHN C=C(C)COc1cc(CN[C@H](C)c2ccccc2)ccc1OC ZINC000057959013 334952981 /nfs/dbraw/zinc/95/29/81/334952981.db2.gz VFUFWRWXKVEWRB-MRXNPFEDSA-N 0 3 311.425 4.501 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccco1 ZINC000286026357 335031584 /nfs/dbraw/zinc/03/15/84/335031584.db2.gz IYLYEMPBNHNGHX-WSTZPKSXSA-N 0 3 311.425 4.797 20 30 DJEDHN Cc1cc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)c(C)s1 ZINC000271941981 129982757 /nfs/dbraw/zinc/98/27/57/129982757.db2.gz OYDGGWCILWFXBG-VXGBXAGGSA-N 0 3 302.418 4.788 20 30 DJEDHN CSc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272304344 130019235 /nfs/dbraw/zinc/01/92/35/130019235.db2.gz RYYWFTDYNJZKSB-AWEZNQCLSA-N 0 3 308.450 4.620 20 30 DJEDHN Cc1cccc2c1[C@H](C)C[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000556606053 331718745 /nfs/dbraw/zinc/71/87/45/331718745.db2.gz QUZHZSJTEIAZQE-DNVCBOLYSA-N 0 3 302.421 4.694 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2ccccc21 ZINC000557508059 331795878 /nfs/dbraw/zinc/79/58/78/331795878.db2.gz JFXTZHVDECMWDO-JOCHJYFZSA-N 0 3 312.416 4.879 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2ccccc21 ZINC000557508067 331795881 /nfs/dbraw/zinc/79/58/81/331795881.db2.gz JFXTZHVDECMWDO-QFIPXVFZSA-N 0 3 312.416 4.879 20 30 DJEDHN CC[C@@H](NCc1ccc(C)cc1OC(C)C)c1ccc(C#N)cc1 ZINC000584152616 331844624 /nfs/dbraw/zinc/84/46/24/331844624.db2.gz PJZLXWARSNYJCR-HXUWFJFHSA-N 0 3 322.452 4.895 20 30 DJEDHN C=CCOc1ccc(CNCc2ccc(Cl)cc2)cc1Cl ZINC000409623633 332042141 /nfs/dbraw/zinc/04/21/41/332042141.db2.gz IHLGKHRZCQYJAH-UHFFFAOYSA-N 0 3 322.235 4.848 20 30 DJEDHN CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664900 332092140 /nfs/dbraw/zinc/09/21/40/332092140.db2.gz QRFFMZJBYKCKPU-UXHICEINSA-N 0 3 308.425 4.781 20 30 DJEDHN CCN(Cc1ccc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000569507085 332112451 /nfs/dbraw/zinc/11/24/51/332112451.db2.gz GGARDRLFIJXNTH-KRWDZBQOSA-N 0 3 321.468 4.968 20 30 DJEDHN COc1cc(CN[C@H](C)c2ccc3ccccc3c2)ccc1C#N ZINC000569534803 332127688 /nfs/dbraw/zinc/12/76/88/332127688.db2.gz QVQOYOCUPWPIFK-OAHLLOKOSA-N 0 3 316.404 4.571 20 30 DJEDHN COc1cc(CN[C@@H](C)c2ccc3ccccc3c2)ccc1C#N ZINC000569534799 332127936 /nfs/dbraw/zinc/12/79/36/332127936.db2.gz QVQOYOCUPWPIFK-HNNXBMFYSA-N 0 3 316.404 4.571 20 30 DJEDHN CCOc1ccccc1C1=CCN(CC(C)(C)CCC#N)CC1 ZINC000092644421 332137077 /nfs/dbraw/zinc/13/70/77/332137077.db2.gz NKRJMOFMEAQTLE-UHFFFAOYSA-N 0 3 312.457 4.504 20 30 DJEDHN C[C@H](NC[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000559882616 332288248 /nfs/dbraw/zinc/28/82/48/332288248.db2.gz PDAJDNQWTPMCSH-DCPHZVHLSA-N 0 3 308.400 4.542 20 30 DJEDHN CC1(C)CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000560261534 332325168 /nfs/dbraw/zinc/32/51/68/332325168.db2.gz ZMXXMDIIYSGPCP-FQEVSTJZSA-N 0 3 316.448 4.950 20 30 DJEDHN Cc1ccccc1[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000237495122 332366941 /nfs/dbraw/zinc/36/69/41/332366941.db2.gz JDDGWIQDQYYOEZ-KRWDZBQOSA-N 0 3 308.425 4.528 20 30 DJEDHN COc1ccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)C(C)C)cc1 ZINC000562096867 332546099 /nfs/dbraw/zinc/54/60/99/332546099.db2.gz WYKHSYLHINDOCE-LEWJYISDSA-N 0 3 320.436 4.541 20 30 DJEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(OCC)cc2)cc1 ZINC000378879898 333059453 /nfs/dbraw/zinc/05/94/53/333059453.db2.gz CXIGHMQGVDPFRN-MRXNPFEDSA-N 0 3 311.425 4.501 20 30 DJEDHN C=CCOc1ccc(CN[C@H](CC)c2ccccc2OC)cc1 ZINC000378920752 333063601 /nfs/dbraw/zinc/06/36/01/333063601.db2.gz YJHCMLSQSDQOSC-LJQANCHMSA-N 0 3 311.425 4.501 20 30 DJEDHN C[C@@H](c1ccccc1)[N@H+](CCCCC#N)Cc1ccccc1[O-] ZINC000176680848 333117797 /nfs/dbraw/zinc/11/77/97/333117797.db2.gz WVUHRFKUUFXPNQ-KRWDZBQOSA-N 0 3 308.425 4.649 20 30 DJEDHN C[C@@H](c1ccccc1)[N@@H+](CCCCC#N)Cc1ccccc1[O-] ZINC000176680848 333117798 /nfs/dbraw/zinc/11/77/98/333117798.db2.gz WVUHRFKUUFXPNQ-KRWDZBQOSA-N 0 3 308.425 4.649 20 30 DJEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536879 333162627 /nfs/dbraw/zinc/16/26/27/333162627.db2.gz JJWPSEMHLUMAIC-DLBZAZTESA-N 0 3 308.425 4.618 20 30 DJEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536933 333162662 /nfs/dbraw/zinc/16/26/62/333162662.db2.gz JJWPSEMHLUMAIC-SJORKVTESA-N 0 3 308.425 4.618 20 30 DJEDHN C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180538990 333162936 /nfs/dbraw/zinc/16/29/36/333162936.db2.gz VATIFZMHBUZXML-FOIQADDNSA-N 0 3 320.436 4.662 20 30 DJEDHN C=CCCN[C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462176275 333340712 /nfs/dbraw/zinc/34/07/12/333340712.db2.gz NYLMKHDTAOHLCE-SFHVURJKSA-N 0 3 319.420 4.942 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000435664789 333809908 /nfs/dbraw/zinc/80/99/08/333809908.db2.gz NVGZRNUUDGLBBS-WQGACYEGSA-N 0 3 314.256 4.625 20 30 DJEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(SCC(F)F)cc1 ZINC000414166591 333916285 /nfs/dbraw/zinc/91/62/85/333916285.db2.gz NVIASSGPYRYZPG-LBPRGKRZSA-N 0 3 312.429 4.634 20 30 DJEDHN C=C(CN[C@@H]1CCSc2ccc(OC)cc21)c1ccccc1 ZINC000343474102 335167808 /nfs/dbraw/zinc/16/78/08/335167808.db2.gz XHGOMAAPETXWGK-GOSISDBHSA-N 0 3 311.450 4.535 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000274629029 334064043 /nfs/dbraw/zinc/06/40/43/334064043.db2.gz OMLMQHMZOWETFJ-BXWFABGCSA-N 0 3 320.436 4.705 20 30 DJEDHN Cc1c([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447265 334204332 /nfs/dbraw/zinc/20/43/32/334204332.db2.gz PMKODQIDKCXCPD-JXFKEZNVSA-N 0 3 324.472 4.858 20 30 DJEDHN CC(C)n1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cn1 ZINC000340450338 334204873 /nfs/dbraw/zinc/20/48/73/334204873.db2.gz XJMMVQUFRONGCX-QFBILLFUSA-N 0 3 310.445 4.550 20 30 DJEDHN COc1ccc2c(c1)[C@H](N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340452986 334205959 /nfs/dbraw/zinc/20/59/59/334205959.db2.gz PYGMJVAZXAYQRI-LEWJYISDSA-N 0 3 320.436 4.707 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453939 334206600 /nfs/dbraw/zinc/20/66/00/334206600.db2.gz SDULXHZBBYZFKE-JXFKEZNVSA-N 0 3 303.409 4.644 20 30 DJEDHN CCc1cccnc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340455056 334207268 /nfs/dbraw/zinc/20/72/68/334207268.db2.gz UREKOVUCRZNSPC-QFBILLFUSA-N 0 3 307.441 4.730 20 30 DJEDHN CCc1cccnc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340455040 334207298 /nfs/dbraw/zinc/20/72/98/334207298.db2.gz UREKOVUCRZNSPC-APWZRJJASA-N 0 3 307.441 4.730 20 30 DJEDHN Cc1cccc(NC2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000187699580 334267999 /nfs/dbraw/zinc/26/79/99/334267999.db2.gz CUIDQCZSRWTQIH-QGZVFWFLSA-N 0 3 319.452 4.504 20 30 DJEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000112525276 334717260 /nfs/dbraw/zinc/71/72/60/334717260.db2.gz JZUFOZFPCCPXFY-STQMWFEESA-N 0 3 314.816 4.632 20 30 DJEDHN N#CCC[C@H](NC/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761329 336233378 /nfs/dbraw/zinc/23/33/78/336233378.db2.gz WBULVNHJYBDCPG-VOFKWLDRSA-N 0 3 312.363 4.613 20 30 DJEDHN N#CCC[C@@H](NC/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761330 336233395 /nfs/dbraw/zinc/23/33/95/336233395.db2.gz WBULVNHJYBDCPG-ZMBJWTFHSA-N 0 3 312.363 4.613 20 30 DJEDHN Cc1ccccc1[C@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000532567464 336255822 /nfs/dbraw/zinc/25/58/22/336255822.db2.gz MCNQXSRXZFHJTA-IBGZPJMESA-N 0 3 310.416 4.883 20 30 DJEDHN CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117267 336279389 /nfs/dbraw/zinc/27/93/89/336279389.db2.gz ORYMBIHQLOLIFT-AUUYWEPGSA-N 0 3 323.396 4.658 20 30 DJEDHN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000192936245 336285317 /nfs/dbraw/zinc/28/53/17/336285317.db2.gz FQRZQEYPKWXYHQ-KBPBESRZSA-N 0 3 314.816 4.654 20 30 DJEDHN COc1ccc2ccccc2c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000192940719 336285409 /nfs/dbraw/zinc/28/54/09/336285409.db2.gz AOBCHQMTQPCLHV-OAHLLOKOSA-N 0 3 316.404 4.571 20 30 DJEDHN CCc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980125 336286461 /nfs/dbraw/zinc/28/64/61/336286461.db2.gz WQKWGJCMFBGVDY-HOTGVXAUSA-N 0 3 308.425 4.563 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C2CC2)cc1 ZINC000357788462 336598580 /nfs/dbraw/zinc/59/85/80/336598580.db2.gz LTZLEUXLQPGOKY-NRFANRHFSA-N 0 3 302.421 4.603 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCc2occc21 ZINC000360836080 336723766 /nfs/dbraw/zinc/72/37/66/336723766.db2.gz MFRUBVFRQFEIAA-MOPGFXCFSA-N 0 3 306.409 4.586 20 30 DJEDHN N#Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1F ZINC000361862245 336775872 /nfs/dbraw/zinc/77/58/72/336775872.db2.gz LXOYVTUEBXFDLR-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN N#CCCCCN[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000178640834 337165685 /nfs/dbraw/zinc/16/56/85/337165685.db2.gz FIDTVINCXZXZMZ-JTQLQIEISA-N 0 3 303.258 4.716 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722584 337318229 /nfs/dbraw/zinc/31/82/29/337318229.db2.gz FIZRSPFRLGUFQX-LEWJYISDSA-N 0 3 320.411 4.816 20 30 DJEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722585 337318328 /nfs/dbraw/zinc/31/83/28/337318328.db2.gz FIZRSPFRLGUFQX-NHCUHLMSSA-N 0 3 320.411 4.816 20 30 DJEDHN CCc1cccc2c1OCC[C@@H]2N[C@@H](CC)c1ccc(C#N)cc1 ZINC000584569786 337363573 /nfs/dbraw/zinc/36/35/73/337363573.db2.gz UHZBVOUTISORQQ-PMACEKPBSA-N 0 3 320.436 4.685 20 30 DJEDHN C=C(C)[C@H](N[C@@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438954 337489837 /nfs/dbraw/zinc/48/98/37/337489837.db2.gz ZOEQPVMTHOMERD-GUYCJALGSA-N 0 3 309.400 4.519 20 30 DJEDHN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccc(C#N)s1 ZINC000421892170 337659334 /nfs/dbraw/zinc/65/93/34/337659334.db2.gz WJNNKCLTLHXVSY-GOSISDBHSA-N 0 3 321.449 4.577 20 30 DJEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000527794693 337764406 /nfs/dbraw/zinc/76/44/06/337764406.db2.gz IAIISMJNBXZTKA-IBGZPJMESA-N 0 3 324.855 4.918 20 30 DJEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000424317326 337820055 /nfs/dbraw/zinc/82/00/55/337820055.db2.gz BWMOQNIWKODGMY-KYNGSXCRSA-N 0 3 310.828 4.711 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000061027690 337924373 /nfs/dbraw/zinc/92/43/73/337924373.db2.gz ODIOHPACZJEJTN-HNNXBMFYSA-N 0 3 307.393 4.848 20 30 DJEDHN Cc1[nH]c2ccc(CN[C@@H](C)c3cccc(C#N)c3)cc2c1C ZINC000537294316 337928844 /nfs/dbraw/zinc/92/88/44/337928844.db2.gz CIPUEAZZSWIJQR-HNNXBMFYSA-N 0 3 303.409 4.507 20 30 DJEDHN CC(C)(C#N)CCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000537361995 337932705 /nfs/dbraw/zinc/93/27/05/337932705.db2.gz DKVXIJMMCRUFAN-UHFFFAOYSA-N 0 3 322.905 4.836 20 30 DJEDHN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000537400630 337935425 /nfs/dbraw/zinc/93/54/25/337935425.db2.gz FFSODPDMRBVHDE-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN CCSc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000426288702 338024643 /nfs/dbraw/zinc/02/46/43/338024643.db2.gz DLFUJGRZGDFQES-ZDUSSCGKSA-N 0 3 314.429 4.660 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-c2ccccc2F)s1 ZINC000430722041 338112284 /nfs/dbraw/zinc/11/22/84/338112284.db2.gz DZVXIWJFEJUMOU-CYBMUJFWSA-N 0 3 314.429 4.899 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 ZINC000154328366 338241422 /nfs/dbraw/zinc/24/14/22/338241422.db2.gz OWSXKWUFGWZFLQ-UONOGXRCSA-N 0 3 310.466 4.910 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000435664787 338244655 /nfs/dbraw/zinc/24/46/55/338244655.db2.gz NVGZRNUUDGLBBS-OZVIIMIRSA-N 0 3 314.256 4.625 20 30 DJEDHN CCN(Cc1cc2c(cccc2F)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000437579073 338314396 /nfs/dbraw/zinc/31/43/96/338314396.db2.gz NHBOEQJWNIWYBY-CQSZACIVSA-N 0 3 321.399 4.762 20 30 DJEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777739 338430587 /nfs/dbraw/zinc/43/05/87/338430587.db2.gz AAZFYUTWJSHOTL-CCKFTAQKSA-N 0 3 310.828 4.711 20 30 DJEDHN CC[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000447525657 338553970 /nfs/dbraw/zinc/55/39/70/338553970.db2.gz AQAANQCBBZJRDM-MOPGFXCFSA-N 0 3 310.828 4.940 20 30 DJEDHN CC[C@H](NCc1ccc2[nH]c(C)c(C)c2c1)c1ccc(C#N)cc1 ZINC000447534194 338554868 /nfs/dbraw/zinc/55/48/68/338554868.db2.gz VLOTWWHHYYYDOO-FQEVSTJZSA-N 0 3 317.436 4.897 20 30 DJEDHN CC[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1 ZINC000447585107 338559361 /nfs/dbraw/zinc/55/93/61/338559361.db2.gz IDUNAZQYZUTPML-GQWLDOHISA-N 0 3 304.437 4.923 20 30 DJEDHN C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F ZINC000462535932 339080664 /nfs/dbraw/zinc/08/06/64/339080664.db2.gz CZRNTWYHJUYHMM-JLTOFOAXSA-N 0 3 308.400 4.501 20 30 DJEDHN C=CCOc1ccccc1CNC[C@@H](C)Sc1ccccc1 ZINC000462736269 339085748 /nfs/dbraw/zinc/08/57/48/339085748.db2.gz DURGZWDKIGKDCN-MRXNPFEDSA-N 0 3 313.466 4.522 20 30 DJEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101164 339105839 /nfs/dbraw/zinc/10/58/39/339105839.db2.gz CWUYSFBVLYNCGP-KJJMTIBFSA-N 0 3 316.448 4.562 20 30 DJEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463190357 339108657 /nfs/dbraw/zinc/10/86/57/339108657.db2.gz CRSUFVRZEOPEFP-SFTDATJTSA-N 0 3 323.484 4.646 20 30 DJEDHN CC(C)(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000463239241 339111169 /nfs/dbraw/zinc/11/11/69/339111169.db2.gz VBMADKFRNDCPHQ-SUYBPPKGSA-N 0 3 306.400 4.724 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293732 339113756 /nfs/dbraw/zinc/11/37/56/339113756.db2.gz MOTZJKXCNHFICA-QZTJIDSGSA-N 0 3 312.457 4.570 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304708 339114278 /nfs/dbraw/zinc/11/42/78/339114278.db2.gz SDAJSZPSTHCRBU-ZMSDIMECSA-N 0 3 302.487 4.920 20 30 DJEDHN N#CCSCCCN1CC=C(c2cccc3ccccc32)CC1 ZINC000466726743 339214442 /nfs/dbraw/zinc/21/44/42/339214442.db2.gz DFCOFLYLNKCQLS-UHFFFAOYSA-N 0 3 322.477 4.576 20 30 DJEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446322 339239204 /nfs/dbraw/zinc/23/92/04/339239204.db2.gz DLSXRFXPVQTMDL-WCQYABFASA-N 0 3 309.240 4.654 20 30 DJEDHN C=CCCCC[C@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736811 339244502 /nfs/dbraw/zinc/24/45/02/339244502.db2.gz XYCJDPXLPRARTC-WDEREUQCSA-N 0 3 306.397 4.947 20 30 DJEDHN Cc1cccc(C2(NCc3ccc(F)c(C#N)c3)CCCC2)c1 ZINC000468268195 339258254 /nfs/dbraw/zinc/25/82/54/339258254.db2.gz PIBPODXBPYCSCR-UHFFFAOYSA-N 0 3 308.400 4.565 20 30 DJEDHN N#CCCCCN1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469518980 339292386 /nfs/dbraw/zinc/29/23/86/339292386.db2.gz MEUVWEZKLWMHRH-INIZCTEOSA-N 0 3 310.363 4.926 20 30 DJEDHN C=CCCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000471578454 339347861 /nfs/dbraw/zinc/34/78/61/339347861.db2.gz RAKNZGAIBSWGEH-FQEVSTJZSA-N 0 3 306.409 4.863 20 30 DJEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606614 339349243 /nfs/dbraw/zinc/34/92/43/339349243.db2.gz OIPQYUNDIBSKGX-UXPWSPDFSA-N 0 3 324.855 4.906 20 30 DJEDHN C=C(C)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472953340 339379323 /nfs/dbraw/zinc/37/93/23/339379323.db2.gz OLGLFVWKMGLTNK-UHFFFAOYSA-N 0 3 314.256 4.551 20 30 DJEDHN CC1(C#N)CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474921829 339431079 /nfs/dbraw/zinc/43/10/79/339431079.db2.gz FLQWTTLGSDVQPD-UHFFFAOYSA-N 0 3 324.390 4.654 20 30 DJEDHN COCCCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000479501023 339538286 /nfs/dbraw/zinc/53/82/86/339538286.db2.gz WFOGTXDPAQRFIS-UTKZUKDTSA-N 0 3 322.452 4.767 20 30 DJEDHN CC[C@@H](CC(F)(F)F)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000482002256 339619193 /nfs/dbraw/zinc/61/91/93/339619193.db2.gz PCHZDXGJEUVTSY-GOEBONIOSA-N 0 3 310.363 4.646 20 30 DJEDHN C=CCOc1ccccc1CN[C@@H](C)c1ccc(CC)s1 ZINC000482871336 339645256 /nfs/dbraw/zinc/64/52/56/339645256.db2.gz QZVRXGFNTKORFK-AWEZNQCLSA-N 0 3 301.455 4.726 20 30 DJEDHN Cc1ccccc1[C@@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000484059340 339680232 /nfs/dbraw/zinc/68/02/32/339680232.db2.gz PPOZYACNMMCNOR-LJQANCHMSA-N 0 3 310.416 4.883 20 30 DJEDHN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000484363375 339685687 /nfs/dbraw/zinc/68/56/87/339685687.db2.gz VDJJEPRCMOGOLK-OAHLLOKOSA-N 0 3 304.393 4.658 20 30 DJEDHN C=CCOc1cccc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000486677342 339730708 /nfs/dbraw/zinc/73/07/08/339730708.db2.gz PIRNSZJLCUFOSY-CQSZACIVSA-N 0 3 301.817 4.756 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000488471908 339784544 /nfs/dbraw/zinc/78/45/44/339784544.db2.gz UGEYLUJVHIEGKJ-VXGBXAGGSA-N 0 3 302.780 4.763 20 30 DJEDHN Cc1ccccc1[C@H](NCc1cccc(C#N)c1)C1CCCC1 ZINC000494918415 339964617 /nfs/dbraw/zinc/96/46/17/339964617.db2.gz AMFPIXONFCBGQS-OAQYLSRUSA-N 0 3 304.437 4.888 20 30 DJEDHN Cc1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N ZINC000500431484 340058442 /nfs/dbraw/zinc/05/84/42/340058442.db2.gz XTWOXBJOWLABQT-KUHUBIRLSA-N 0 3 310.828 4.545 20 30 DJEDHN Cc1cc(CN2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000502545513 340107302 /nfs/dbraw/zinc/10/73/02/340107302.db2.gz VOQBUKPWWGQAFM-UHFFFAOYSA-N 0 3 308.450 4.526 20 30 DJEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853764 340135141 /nfs/dbraw/zinc/13/51/41/340135141.db2.gz FGKULZSMNFWZHV-YJYMSZOUSA-N 0 3 314.379 4.884 20 30 DJEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000506633358 340198153 /nfs/dbraw/zinc/19/81/53/340198153.db2.gz PMBHRHDXCHGOLW-LJQANCHMSA-N 0 3 313.828 4.682 20 30 DJEDHN CC(C)(CCC#N)CN1CC=C(c2ccccc2Cl)CC1 ZINC000507735571 340229837 /nfs/dbraw/zinc/22/98/37/340229837.db2.gz RKDSRUKMNHUWGB-UHFFFAOYSA-N 0 3 302.849 4.759 20 30 DJEDHN N#Cc1csc(CN(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000508009073 340237264 /nfs/dbraw/zinc/23/72/64/340237264.db2.gz NHVSRSDWCDCYTL-IBGZPJMESA-N 0 3 308.450 4.662 20 30 DJEDHN CC(C)[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000509405497 340268424 /nfs/dbraw/zinc/26/84/24/340268424.db2.gz TXFIKBUMNCHKBJ-FQEVSTJZSA-N 0 3 323.484 4.681 20 30 DJEDHN C=C(CNC/C(C)=C/c1ccccc1COC)c1ccccc1 ZINC000510284213 340295070 /nfs/dbraw/zinc/29/50/70/340295070.db2.gz SJVUAZZQJLGVTP-GHRIWEEISA-N 0 3 307.437 4.539 20 30 DJEDHN N#CCCCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511217196 340323995 /nfs/dbraw/zinc/32/39/95/340323995.db2.gz OUULGRCJSWBBTD-UHFFFAOYSA-N 0 3 309.240 4.776 20 30 DJEDHN C=C(C)CN(CCCCC(C)(C)C#N)Cc1cnn(C(C)C)c1 ZINC000512556887 340366693 /nfs/dbraw/zinc/36/66/93/340366693.db2.gz ICELCSYVCGUFHX-UHFFFAOYSA-N 0 3 316.493 4.562 20 30 DJEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1F ZINC000512629564 340369900 /nfs/dbraw/zinc/36/99/00/340369900.db2.gz JGLSUMUOWHOALW-VBKZILBWSA-N 0 3 308.400 4.889 20 30 DJEDHN Cc1ccccc1[C@H](N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000512667670 340372054 /nfs/dbraw/zinc/37/20/54/340372054.db2.gz QPTLNRSGQIGSCU-JLTOFOAXSA-N 0 3 308.400 4.808 20 30 DJEDHN CC(C)(C)N(Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000513028181 340389264 /nfs/dbraw/zinc/38/92/64/340389264.db2.gz WITCVQVYKFOHGC-UHFFFAOYSA-N 0 3 302.418 4.560 20 30 DJEDHN C[C@H](NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 ZINC000186846658 340516446 /nfs/dbraw/zinc/51/64/46/340516446.db2.gz MOJXIKRBTMFKRH-GUYCJALGSA-N 0 3 318.342 4.555 20 30 DJEDHN N#CC1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000194997162 340598215 /nfs/dbraw/zinc/59/82/15/340598215.db2.gz HIPAKQSWYOHQRV-UHFFFAOYSA-N 0 3 311.256 4.552 20 30 DJEDHN C=CCOc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1 ZINC000237512175 340671689 /nfs/dbraw/zinc/67/16/89/340671689.db2.gz ODIOHPACZJEJTN-OAHLLOKOSA-N 0 3 307.393 4.848 20 30 DJEDHN N#Cc1cccc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000237788290 340674004 /nfs/dbraw/zinc/67/40/04/340674004.db2.gz NKMIMCGVJQDRRR-IBGZPJMESA-N 0 3 310.828 4.843 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000528658248 340728323 /nfs/dbraw/zinc/72/83/23/340728323.db2.gz LZKHRZPQQGAQKU-FQEVSTJZSA-N 0 3 319.452 4.514 20 30 DJEDHN C=CCOc1ccccc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000538099227 340809295 /nfs/dbraw/zinc/80/92/95/340809295.db2.gz SKCHLZILRAHXDR-HXUWFJFHSA-N 0 3 311.400 4.631 20 30 DJEDHN Cc1ccccc1[C@@H](CC(C)C)NCc1cccc(C#N)c1F ZINC000539259910 340878848 /nfs/dbraw/zinc/87/88/48/340878848.db2.gz DLLDIASGVZXIDW-LJQANCHMSA-N 0 3 310.416 4.883 20 30 DJEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000539342933 340881893 /nfs/dbraw/zinc/88/18/93/340881893.db2.gz MMCLRFSWLNWXHK-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN Cc1cc([C@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)ccc1F ZINC000539424204 340884950 /nfs/dbraw/zinc/88/49/50/340884950.db2.gz KEDSBCVCKBZXBR-JLTOFOAXSA-N 0 3 308.400 4.808 20 30 DJEDHN C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(CC#N)cc1 ZINC000542211546 341000324 /nfs/dbraw/zinc/00/03/24/341000324.db2.gz CVVHQLAUNCUNAA-OAHLLOKOSA-N 0 3 304.393 4.692 20 30 DJEDHN C=CCCC[C@H](C)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565310 341013917 /nfs/dbraw/zinc/01/39/17/341013917.db2.gz OVWLSGISKWCHIU-WDEREUQCSA-N 0 3 306.397 4.947 20 30 DJEDHN C=CCCC[C@H](C)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565309 341013951 /nfs/dbraw/zinc/01/39/51/341013951.db2.gz OVWLSGISKWCHIU-QWRGUYRKSA-N 0 3 306.397 4.947 20 30 DJEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000543183197 341035612 /nfs/dbraw/zinc/03/56/12/341035612.db2.gz IDLRLJKNAAHYMB-IBGZPJMESA-N 0 3 312.844 4.893 20 30 DJEDHN N#CCc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000543183988 341035647 /nfs/dbraw/zinc/03/56/47/341035647.db2.gz JQGZLYPRDLXUNA-LJQANCHMSA-N 0 3 310.828 4.647 20 30 DJEDHN CCCC[C@H](NCc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000543182405 341035668 /nfs/dbraw/zinc/03/56/68/341035668.db2.gz REHWSZIRKFZSOH-NRFANRHFSA-N 0 3 322.452 4.782 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000543183198 341035721 /nfs/dbraw/zinc/03/57/21/341035721.db2.gz IDLRLJKNAAHYMB-LJQANCHMSA-N 0 3 312.844 4.893 20 30 DJEDHN N#CCc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000543186992 341035779 /nfs/dbraw/zinc/03/57/79/341035779.db2.gz ZUCPIOXXPIDWRV-NRFANRHFSA-N 0 3 322.427 4.913 20 30 DJEDHN N#CCC1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000543808487 341060057 /nfs/dbraw/zinc/06/00/57/341060057.db2.gz QFWRWNGJLCWKHE-UHFFFAOYSA-N 0 3 304.846 4.680 20 30 DJEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000544602699 341088165 /nfs/dbraw/zinc/08/81/65/341088165.db2.gz AVHSDMZXASAUEU-GFCCVEGCSA-N 0 3 302.780 4.510 20 30 DJEDHN CC[C@@H](CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000544841749 341095939 /nfs/dbraw/zinc/09/59/39/341095939.db2.gz PYFLEKFPCUHNGV-NSHDSACASA-N 0 3 317.248 4.665 20 30 DJEDHN CC[C@@H](CC(F)(F)F)NCc1cc(C(F)(F)F)ccc1F ZINC000546178517 341156116 /nfs/dbraw/zinc/15/61/16/341156116.db2.gz GCRLEWHKIZHULU-JTQLQIEISA-N 0 3 317.248 4.665 20 30 DJEDHN C[C@H](c1ccccc1Cl)N(CCCSCC#N)C1CC1 ZINC000074990086 341159089 /nfs/dbraw/zinc/15/90/89/341159089.db2.gz GSJSWBDZSQQCHX-CYBMUJFWSA-N 0 3 308.878 4.512 20 30 DJEDHN C=CCOc1cccc(CNC(C)(C)c2ccc(F)c(F)c2)c1 ZINC000236697912 341195559 /nfs/dbraw/zinc/19/55/59/341195559.db2.gz KKSSBDHMSKPPTO-UHFFFAOYSA-N 0 3 317.379 4.555 20 30 DJEDHN C[C@@H]1C[C@@H]1[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000237354659 341212427 /nfs/dbraw/zinc/21/24/27/341212427.db2.gz SJFGIMVFSJTCEK-VMDGZTHMSA-N 0 3 310.828 4.699 20 30 DJEDHN N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000237660001 341217722 /nfs/dbraw/zinc/21/77/22/341217722.db2.gz SLDOZECOVXHSQJ-UHFFFAOYSA-N 0 3 316.857 4.832 20 30 DJEDHN CC(C)(C#N)CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000549078254 341285548 /nfs/dbraw/zinc/28/55/48/341285548.db2.gz QCTSHMCPKVGEDB-OAHLLOKOSA-N 0 3 310.363 4.686 20 30 DJEDHN Cc1nc(C(C)C)ccc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000549398924 341293147 /nfs/dbraw/zinc/29/31/47/341293147.db2.gz XTJCIGXSTTVUDO-UHFFFAOYSA-N 0 3 321.468 4.796 20 30 DJEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536284 341296860 /nfs/dbraw/zinc/29/68/60/341296860.db2.gz SKSHSLNJNURKCD-AVYPCKFXSA-N 0 3 308.400 4.836 20 30 DJEDHN C=CCC[C@H](NCCc1cc(C(F)(F)F)ccn1)c1ccco1 ZINC000550882424 341325396 /nfs/dbraw/zinc/32/53/96/341325396.db2.gz NJUSQBDYGVRSES-HNNXBMFYSA-N 0 3 324.346 4.533 20 30 DJEDHN N#CCCC[C@@H](NCc1ccnc2ccccc12)c1ccccc1 ZINC000552083377 341368100 /nfs/dbraw/zinc/36/81/00/341368100.db2.gz AWOZKVXFQOXPSL-HXUWFJFHSA-N 0 3 315.420 4.760 20 30 DJEDHN C=CCC[C@@H](NCCc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000552282925 341384007 /nfs/dbraw/zinc/38/40/07/341384007.db2.gz SDAMIURVTYGPDO-OAHLLOKOSA-N 0 3 309.331 4.537 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038850 341392517 /nfs/dbraw/zinc/39/25/17/341392517.db2.gz UEPKTYMUKMWSKN-CDHQVMDDSA-N 0 3 308.400 4.587 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038856 341392603 /nfs/dbraw/zinc/39/26/03/341392603.db2.gz UEPKTYMUKMWSKN-YSGRDPCXSA-N 0 3 308.400 4.587 20 30 DJEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(F)c2ccccc21 ZINC000564680132 341506721 /nfs/dbraw/zinc/50/67/21/341506721.db2.gz RBUBLQKTCSRFSE-LBPRGKRZSA-N 0 3 310.397 4.763 20 30 DJEDHN COc1cc(CN[C@H](C)c2ccccc2C(C)(C)C)ccc1C#N ZINC000567203350 341586321 /nfs/dbraw/zinc/58/63/21/341586321.db2.gz LFTZDILFLZHNMQ-OAHLLOKOSA-N 0 3 322.452 4.715 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000154474645 341589840 /nfs/dbraw/zinc/58/98/40/341589840.db2.gz QCPBJNAODIOSNZ-SFHVURJKSA-N 0 3 314.429 4.780 20 30 DJEDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000271497808 341622892 /nfs/dbraw/zinc/62/28/92/341622892.db2.gz QGBCHGQBYIAUKQ-IRXDYDNUSA-N 0 3 308.425 4.618 20 30 DJEDHN CC(C)Sc1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000567791557 341633691 /nfs/dbraw/zinc/63/36/91/341633691.db2.gz VYYWKFSUVWLHJJ-UHFFFAOYSA-N 0 3 302.487 4.703 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc3sccc3c1)CC2 ZINC000575031508 341772719 /nfs/dbraw/zinc/77/27/19/341772719.db2.gz NGRMDCAJPUDPIS-SFHVURJKSA-N 0 3 304.418 4.550 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000336865177 341808908 /nfs/dbraw/zinc/80/89/08/341808908.db2.gz UZDCCUYPLKKMJW-KBXCAEBGSA-N 0 3 308.425 4.824 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccco1 ZINC000286026354 335031578 /nfs/dbraw/zinc/03/15/78/335031578.db2.gz IYLYEMPBNHNGHX-HBFSDRIKSA-N 0 3 311.425 4.797 20 30 DJEDHN C=CCC[C@H](N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccco1 ZINC000286026351 335032012 /nfs/dbraw/zinc/03/20/12/335032012.db2.gz IYLYEMPBNHNGHX-CMKODMSKSA-N 0 3 311.425 4.797 20 30 DJEDHN C=CCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722947 183124895 /nfs/dbraw/zinc/12/48/95/183124895.db2.gz CGPCWQDHUUYFLN-UHFFFAOYSA-N 0 3 322.235 4.848 20 30 DJEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000425543980 335038829 /nfs/dbraw/zinc/03/88/29/335038829.db2.gz ZZDNYIYGQRVBEK-INIZCTEOSA-N 0 3 317.436 4.552 20 30 DJEDHN CC[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 ZINC000273520423 130131988 /nfs/dbraw/zinc/13/19/88/130131988.db2.gz QMRBKSOCSGVNDK-ZDUSSCGKSA-N 0 3 308.809 4.653 20 30 DJEDHN Cc1cccc2c1[C@@H](C)C[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000556606055 331718819 /nfs/dbraw/zinc/71/88/19/331718819.db2.gz QUZHZSJTEIAZQE-KXBFYZLASA-N 0 3 302.421 4.694 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000584142879 331840961 /nfs/dbraw/zinc/84/09/61/331840961.db2.gz XNNLOTNXTMMIIQ-RTWAWAEBSA-N 0 3 304.437 4.841 20 30 DJEDHN C=CCOc1ccc(CNCc2ccc(C)cc2C)cc1Cl ZINC000518272934 332004600 /nfs/dbraw/zinc/00/46/00/332004600.db2.gz WQECQJWJZXLKOM-UHFFFAOYSA-N 0 3 315.844 4.811 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000518275941 332004884 /nfs/dbraw/zinc/00/48/84/332004884.db2.gz YIAFZKVRYDVGIZ-NRFANRHFSA-N 0 3 307.437 4.882 20 30 DJEDHN C=CCOc1cccc(CNCc2cc3ccccc3s2)c1 ZINC000559307071 332022092 /nfs/dbraw/zinc/02/20/92/332022092.db2.gz MRJMRPXPEBIERU-UHFFFAOYSA-N 0 3 309.434 4.756 20 30 DJEDHN CCc1nc(C)c([C@@H](C)N(C)CCCCC(C)(C)C#N)s1 ZINC000409446897 332032579 /nfs/dbraw/zinc/03/25/79/332032579.db2.gz MMKGAUFXPMCODV-CQSZACIVSA-N 0 3 307.507 4.727 20 30 DJEDHN COc1ccc2c(c1)CCC[C@H]2N[C@H](CCC#N)c1ccccc1 ZINC000090665034 332092246 /nfs/dbraw/zinc/09/22/46/332092246.db2.gz FHNREWQIRGRYGK-NHCUHLMSSA-N 0 3 320.436 4.707 20 30 DJEDHN CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664948 332092260 /nfs/dbraw/zinc/09/22/60/332092260.db2.gz LOQQGWCBJUUJHL-UXHICEINSA-N 0 3 320.436 4.707 20 30 DJEDHN COc1cc(C)ccc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000569558601 332138342 /nfs/dbraw/zinc/13/83/42/332138342.db2.gz ZMKYNNXDJUPVBF-FOIQADDNSA-N 0 3 320.436 4.604 20 30 DJEDHN COc1cc(C)ccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000569558603 332138475 /nfs/dbraw/zinc/13/84/75/332138475.db2.gz ZMKYNNXDJUPVBF-QRWLVFNGSA-N 0 3 320.436 4.604 20 30 DJEDHN CC[C@H](NCc1cccc(OCCCC#N)c1)c1ccc(C)cc1 ZINC000236948083 332252087 /nfs/dbraw/zinc/25/20/87/332252087.db2.gz OWZNIBNZUGWDMI-NRFANRHFSA-N 0 3 322.452 4.919 20 30 DJEDHN N#CCCCOc1cccc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000237825148 332392904 /nfs/dbraw/zinc/39/29/04/332392904.db2.gz ZWYFIBFVFCTWAO-OAQYLSRUSA-N 0 3 320.436 4.610 20 30 DJEDHN N#CCCCOc1cccc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000237825846 332392935 /nfs/dbraw/zinc/39/29/35/332392935.db2.gz ZWYFIBFVFCTWAO-NRFANRHFSA-N 0 3 320.436 4.610 20 30 DJEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000566826133 332581250 /nfs/dbraw/zinc/58/12/50/332581250.db2.gz ZQYDNWZDMHHLJB-ZDUSSCGKSA-N 0 3 318.342 4.622 20 30 DJEDHN C[C@@H]1C[C@H]1[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000525695761 332619588 /nfs/dbraw/zinc/61/95/88/332619588.db2.gz SJFGIMVFSJTCEK-UPRAQXHNSA-N 0 3 310.828 4.699 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000318430453 332721889 /nfs/dbraw/zinc/72/18/89/332721889.db2.gz WFXZQHVRLALGQZ-GOSISDBHSA-N 0 3 316.807 4.838 20 30 DJEDHN C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)cc1F ZINC000462535935 332973331 /nfs/dbraw/zinc/97/33/31/332973331.db2.gz CZRNTWYHJUYHMM-XOBRGWDASA-N 0 3 308.400 4.501 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](CC)c2ccccc2OC)cc1 ZINC000378920748 333063647 /nfs/dbraw/zinc/06/36/47/333063647.db2.gz YJHCMLSQSDQOSC-IBGZPJMESA-N 0 3 311.425 4.501 20 30 DJEDHN C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180538970 333162995 /nfs/dbraw/zinc/16/29/95/333162995.db2.gz VATIFZMHBUZXML-MGPUTAFESA-N 0 3 320.436 4.662 20 30 DJEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685289 333171489 /nfs/dbraw/zinc/17/14/89/333171489.db2.gz BCOKTFZEWKCIFF-HRAATJIYSA-N 0 3 320.436 4.781 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000182090040 333175543 /nfs/dbraw/zinc/17/55/43/333175543.db2.gz FERZNLYKXKZVNU-QYWGDWMGSA-N 0 3 320.436 4.563 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000182090003 333175619 /nfs/dbraw/zinc/17/56/19/333175619.db2.gz FERZNLYKXKZVNU-CKJXQJPGSA-N 0 3 320.436 4.563 20 30 DJEDHN N#C[C@@H]1CCC[C@H](NC(c2cccs2)c2cccs2)C1 ZINC000185843584 333214971 /nfs/dbraw/zinc/21/49/71/333214971.db2.gz RHDKOBVRQLSJIF-OLZOCXBDSA-N 0 3 302.468 4.571 20 30 DJEDHN C[C@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000534235600 333568194 /nfs/dbraw/zinc/56/81/94/333568194.db2.gz OFAWVNKDLPQINX-ORAYPTAESA-N 0 3 310.828 4.940 20 30 DJEDHN C[C@@H](N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000534235536 333568342 /nfs/dbraw/zinc/56/83/42/333568342.db2.gz OFAWVNKDLPQINX-BFUOFWGJSA-N 0 3 310.828 4.940 20 30 DJEDHN C[C@H](CCC#N)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000411397463 333664471 /nfs/dbraw/zinc/66/44/71/333664471.db2.gz HLHVOHKYMAGNKV-CYBMUJFWSA-N 0 3 308.878 4.589 20 30 DJEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411510437 333685921 /nfs/dbraw/zinc/68/59/21/333685921.db2.gz YNHFHSUHEDOCHD-HOTGVXAUSA-N 0 3 303.409 4.568 20 30 DJEDHN N#CCC1(CNCc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000430039819 333720239 /nfs/dbraw/zinc/72/02/39/333720239.db2.gz MZBCCXJORAROAM-UHFFFAOYSA-N 0 3 316.857 4.852 20 30 DJEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000414251631 333920870 /nfs/dbraw/zinc/92/08/70/333920870.db2.gz ACJFHCMLLZXBGE-ZDUSSCGKSA-N 0 3 318.342 4.736 20 30 DJEDHN COc1ccc(C)cc1[C@@H](C)NCc1ccccc1C(C)(C)C#N ZINC000271611486 334024697 /nfs/dbraw/zinc/02/46/97/334024697.db2.gz BOPIZCMTJLVEAG-MRXNPFEDSA-N 0 3 322.452 4.656 20 30 DJEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160105 334156463 /nfs/dbraw/zinc/15/64/63/334156463.db2.gz BRUJTVYSBZTNON-BQFCYCMXSA-N 0 3 321.424 4.607 20 30 DJEDHN N#C[C@@H]1CC[C@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721048 334191386 /nfs/dbraw/zinc/19/13/86/334191386.db2.gz APXOAECJSUAKSQ-HIFRSBDPSA-N 0 3 320.889 4.589 20 30 DJEDHN COc1ccccc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340431065 334198529 /nfs/dbraw/zinc/19/85/29/334198529.db2.gz JITLGHHXKGPPJF-QFBILLFUSA-N 0 3 308.425 4.781 20 30 DJEDHN N#CCCC[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430883 334199164 /nfs/dbraw/zinc/19/91/64/334199164.db2.gz HZIBBCHFGZUBGN-PMACEKPBSA-N 0 3 320.436 4.794 20 30 DJEDHN N#CCCC[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436711 334200703 /nfs/dbraw/zinc/20/07/03/334200703.db2.gz SWSODRSTDPFJOR-WOJBJXKFSA-N 0 3 308.400 4.838 20 30 DJEDHN Cc1nc(C)c([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000340446024 334203478 /nfs/dbraw/zinc/20/34/78/334203478.db2.gz NDLUNSBIHXTLSA-PBHICJAKSA-N 0 3 313.470 4.846 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445195 334203758 /nfs/dbraw/zinc/20/37/58/334203758.db2.gz LVGWQDJSAYKGQS-KKSFZXQISA-N 0 3 320.436 4.803 20 30 DJEDHN N#CCCC[C@H](N[C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449733 334205433 /nfs/dbraw/zinc/20/54/33/334205433.db2.gz WOPUXYNTLCBNGJ-PMACEKPBSA-N 0 3 308.400 4.838 20 30 DJEDHN COc1ccsc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340451830 334205871 /nfs/dbraw/zinc/20/58/71/334205871.db2.gz OYLBKPXEUMHJBN-ZBFHGGJFSA-N 0 3 314.454 4.842 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453940 334206454 /nfs/dbraw/zinc/20/64/54/334206454.db2.gz SDULXHZBBYZFKE-OXJNMPFZSA-N 0 3 303.409 4.644 20 30 DJEDHN COc1cccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000340456237 334207107 /nfs/dbraw/zinc/20/71/07/334207107.db2.gz WLERZWOASPPUSO-OXJNMPFZSA-N 0 3 308.425 4.781 20 30 DJEDHN COc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340454922 334207280 /nfs/dbraw/zinc/20/72/80/334207280.db2.gz TUYATOQSSNYZTI-JXFKEZNVSA-N 0 3 308.425 4.781 20 30 DJEDHN COc1cccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000340457857 334207658 /nfs/dbraw/zinc/20/76/58/334207658.db2.gz WLERZWOASPPUSO-UZLBHIALSA-N 0 3 308.425 4.781 20 30 DJEDHN CCC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951128 334308943 /nfs/dbraw/zinc/30/89/43/334308943.db2.gz AKORUZJWAQFLBJ-FOIQADDNSA-N 0 3 308.425 4.759 20 30 DJEDHN CCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951129 334309005 /nfs/dbraw/zinc/30/90/05/334309005.db2.gz AKORUZJWAQFLBJ-MGPUTAFESA-N 0 3 308.425 4.759 20 30 DJEDHN C=CCC[C@@H](NCc1ccn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000343187257 334644003 /nfs/dbraw/zinc/64/40/03/334644003.db2.gz FWNOQMNXTFHVAL-QGZVFWFLSA-N 0 3 322.374 4.841 20 30 DJEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000417370998 334764638 /nfs/dbraw/zinc/76/46/38/334764638.db2.gz SYOGJBVHMAPZIC-LEWJYISDSA-N 0 3 315.420 4.548 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(C#N)c(C)c1 ZINC000443967607 338464603 /nfs/dbraw/zinc/46/46/03/338464603.db2.gz OQBIVWCKVKLKFC-GOSISDBHSA-N 0 3 308.425 4.571 20 30 DJEDHN CC(C)(C#N)CCCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000444668090 338480700 /nfs/dbraw/zinc/48/07/00/338480700.db2.gz DKGAYUIEAMINRO-OAHLLOKOSA-N 0 3 312.379 4.990 20 30 DJEDHN CC[C@H](NCc1ccccc1COC(C)C)c1ccc(C#N)cc1 ZINC000519623313 335882674 /nfs/dbraw/zinc/88/26/74/335882674.db2.gz MUGBUSHTSQARFP-NRFANRHFSA-N 0 3 322.452 4.724 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)C1CCC1)CC2 ZINC000519794940 335897436 /nfs/dbraw/zinc/89/74/36/335897436.db2.gz QJPVXRGYZLAFSK-SFTDATJTSA-N 0 3 302.421 4.677 20 30 DJEDHN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000192975247 336286262 /nfs/dbraw/zinc/28/62/62/336286262.db2.gz LRTJUIXDWAXBMC-STQMWFEESA-N 0 3 316.351 4.571 20 30 DJEDHN Cc1cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016914 336287041 /nfs/dbraw/zinc/28/70/41/336287041.db2.gz ZWRRMMJWIUXTDD-ZIAGYGMSSA-N 0 3 314.454 4.679 20 30 DJEDHN C[C@H](Cc1ccc(Cl)cc1)N[C@@H](CCC#N)c1ccccc1 ZINC000359307252 336666901 /nfs/dbraw/zinc/66/69/01/336666901.db2.gz UILHDBDPRAJIOA-BEFAXECRSA-N 0 3 312.844 4.906 20 30 DJEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-c2ccncc2)cc1 ZINC000176980854 337153921 /nfs/dbraw/zinc/15/39/21/337153921.db2.gz FZRJQRQVVFAPHR-AWEZNQCLSA-N 0 3 319.433 4.533 20 30 DJEDHN CC[C@@H](NCc1cc2cc(C)ccc2o1)c1ccc(C#N)cc1 ZINC000584481098 337348792 /nfs/dbraw/zinc/34/87/92/337348792.db2.gz AKOVWUYGYKEZNZ-LJQANCHMSA-N 0 3 304.393 4.854 20 30 DJEDHN C[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)c(F)c1 ZINC000527990801 337778340 /nfs/dbraw/zinc/77/83/40/337778340.db2.gz BIBMTOPAFVYGND-ADLMAVQZSA-N 0 3 314.791 4.689 20 30 DJEDHN C[C@@H](NC[C@H](C)Sc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537408161 337933850 /nfs/dbraw/zinc/93/38/50/337933850.db2.gz SNVGTWLXRHTLQX-UONOGXRCSA-N 0 3 314.429 4.529 20 30 DJEDHN CC1(C)CC[C@H]2C[C@H](NCc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384441 337934396 /nfs/dbraw/zinc/93/43/96/337934396.db2.gz RQGANHJQEUYBCJ-PXNSSMCTSA-N 0 3 316.448 4.948 20 30 DJEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000514741917 337969872 /nfs/dbraw/zinc/96/98/72/337969872.db2.gz VXBFXHNYUINQEV-PMPSAXMXSA-N 0 3 310.363 4.623 20 30 DJEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314487 338026471 /nfs/dbraw/zinc/02/64/71/338026471.db2.gz XOTQXZGDBUQZIK-BEFAXECRSA-N 0 3 308.400 4.665 20 30 DJEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(Cl)cc2)s1 ZINC000430611345 338109794 /nfs/dbraw/zinc/10/97/94/338109794.db2.gz NTTGDRVWWVLPOD-LBPRGKRZSA-N 0 3 318.829 4.584 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000430723796 338112347 /nfs/dbraw/zinc/11/23/47/338112347.db2.gz KTOVSQZTCOXEOJ-HNNXBMFYSA-N 0 3 324.399 4.962 20 30 DJEDHN CCC[C@@H](NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430740864 338112963 /nfs/dbraw/zinc/11/29/63/338112963.db2.gz QSVIFNKWDIZJEI-OAHLLOKOSA-N 0 3 310.363 4.830 20 30 DJEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430750081 338113448 /nfs/dbraw/zinc/11/34/48/338113448.db2.gz YGBCODYJFONULV-HNNXBMFYSA-N 0 3 310.363 4.686 20 30 DJEDHN CC(C)(C#N)CCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434907331 338227871 /nfs/dbraw/zinc/22/78/71/338227871.db2.gz WZOVDPNLQVYVIB-UHFFFAOYSA-N 0 3 302.849 4.759 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cccc(Cl)c1Cl ZINC000436287996 338266256 /nfs/dbraw/zinc/26/62/56/338266256.db2.gz UMIZABMYCQILSN-WQGACYEGSA-N 0 3 314.256 4.625 20 30 DJEDHN CC(C)(C#N)CCCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439317036 338367008 /nfs/dbraw/zinc/36/70/08/338367008.db2.gz LZLLFBBTUGUNTN-UHFFFAOYSA-N 0 3 322.855 4.931 20 30 DJEDHN COc1cc(CN[C@@H](c2ccccc2C)C(C)(C)C)ccc1C#N ZINC000440615441 338392486 /nfs/dbraw/zinc/39/24/86/338392486.db2.gz HRZSOJKPYCVWLH-FQEVSTJZSA-N 0 3 322.452 4.752 20 30 DJEDHN CC1(C)CCc2ccccc2[C@H](NCc2ccc(C#N)s2)C1 ZINC000441380048 338411166 /nfs/dbraw/zinc/41/11/66/338411166.db2.gz OWLPGIFANYSXDS-GOSISDBHSA-N 0 3 310.466 4.813 20 30 DJEDHN CC(C)Oc1ccc2ccccc2c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000446758097 338535175 /nfs/dbraw/zinc/53/51/75/338535175.db2.gz FUFOFIOLXTZRBC-SJLPKXTDSA-N 0 3 322.452 4.799 20 30 DJEDHN Cc1ccccc1[C@H](CC(F)(F)F)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000446849717 338538604 /nfs/dbraw/zinc/53/86/04/338538604.db2.gz PWTGCOZYCSZQQD-FMKPAKJESA-N 0 3 310.363 4.661 20 30 DJEDHN CCCOCc1ccccc1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000447528970 338554196 /nfs/dbraw/zinc/55/41/96/338554196.db2.gz KFDOPYHCCCIHGA-OAQYLSRUSA-N 0 3 322.452 4.726 20 30 DJEDHN CC[C@@H](N[C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539876 338555333 /nfs/dbraw/zinc/55/53/33/338555333.db2.gz HZNDKEWQDAROOZ-NHCUHLMSSA-N 0 3 320.436 4.759 20 30 DJEDHN CC[C@@H](CC#N)N[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065297 339071702 /nfs/dbraw/zinc/07/17/02/339071702.db2.gz MBCKJBWKJROXGZ-SFTDATJTSA-N 0 3 306.453 4.512 20 30 DJEDHN C=CCOc1ccccc1CNC[C@H](C)Sc1ccccc1 ZINC000462736267 339085715 /nfs/dbraw/zinc/08/57/15/339085715.db2.gz DURGZWDKIGKDCN-INIZCTEOSA-N 0 3 313.466 4.522 20 30 DJEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101163 339105756 /nfs/dbraw/zinc/10/57/56/339105756.db2.gz CWUYSFBVLYNCGP-FNAHDJPLSA-N 0 3 316.448 4.562 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236967 339110970 /nfs/dbraw/zinc/11/09/70/339110970.db2.gz KJRCUKKQRSARAR-SIXWZSSISA-N 0 3 300.421 4.729 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237132 339111000 /nfs/dbraw/zinc/11/10/00/339111000.db2.gz KFKBCVWRKZWVNS-LVCYWYKZSA-N 0 3 322.427 4.781 20 30 DJEDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2)cc1 ZINC000463298598 339114112 /nfs/dbraw/zinc/11/41/12/339114112.db2.gz DOMKWULITBTEHZ-FXAWDEMLSA-N 0 3 320.436 4.534 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304710 339114265 /nfs/dbraw/zinc/11/42/65/339114265.db2.gz SDAJSZPSTHCRBU-ZOBUZTSGSA-N 0 3 302.487 4.920 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304705 339114276 /nfs/dbraw/zinc/11/42/76/339114276.db2.gz SDAJSZPSTHCRBU-YQQAZPJKSA-N 0 3 302.487 4.920 20 30 DJEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCCSCC#N ZINC000466702574 339213562 /nfs/dbraw/zinc/21/35/62/339213562.db2.gz CYYQTFXAHXXYHY-NSHDSACASA-N 0 3 317.285 4.633 20 30 DJEDHN N#CCSCCCN1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000466725784 339214429 /nfs/dbraw/zinc/21/44/29/339214429.db2.gz YYTJLGSKJKANID-KRWDZBQOSA-N 0 3 322.905 4.904 20 30 DJEDHN C=CCCN(C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000467290717 339230056 /nfs/dbraw/zinc/23/00/56/339230056.db2.gz RTGYUVHPQFENLS-UHFFFAOYSA-N 0 3 322.408 4.511 20 30 DJEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736808 339245181 /nfs/dbraw/zinc/24/51/81/339245181.db2.gz XYCJDPXLPRARTC-GHMZBOCLSA-N 0 3 306.397 4.947 20 30 DJEDHN CC(C)CCN(CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000468406552 339262239 /nfs/dbraw/zinc/26/22/39/339262239.db2.gz CMSFCOBQJOBQFE-UHFFFAOYSA-N 0 3 304.400 4.617 20 30 DJEDHN N#Cc1cccc(CN[C@@H](CC2CC2)c2ccc(Cl)cc2)c1 ZINC000469048527 339278598 /nfs/dbraw/zinc/27/85/98/339278598.db2.gz STTITSIHACEIKI-IBGZPJMESA-N 0 3 310.828 4.843 20 30 DJEDHN CC(C)(CCC#N)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470549563 339321672 /nfs/dbraw/zinc/32/16/72/339321672.db2.gz YTWBVDZTIXABNZ-UHFFFAOYSA-N 0 3 318.411 4.774 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000470719070 339326033 /nfs/dbraw/zinc/32/60/33/339326033.db2.gz ZVYBFXIXUYSNPK-UHFFFAOYSA-N 0 3 314.379 4.908 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(Cl)c1 ZINC000481652588 339608772 /nfs/dbraw/zinc/60/87/72/339608772.db2.gz SKOTZFAPWLZQOY-IBGZPJMESA-N 0 3 310.828 4.769 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(Cl)cc1 ZINC000481932543 339617393 /nfs/dbraw/zinc/61/73/93/339617393.db2.gz NHISWFFAXJGDHG-LJQANCHMSA-N 0 3 310.828 4.769 20 30 DJEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483637513 339670292 /nfs/dbraw/zinc/67/02/92/339670292.db2.gz HTDYIPJHXBXUCZ-DZGCQCFKSA-N 0 3 317.408 4.580 20 30 DJEDHN C=CCOc1cccc(CN[C@H](C)c2ccccc2SC)c1 ZINC000500392982 340056412 /nfs/dbraw/zinc/05/64/12/340056412.db2.gz JZUJMLIIBIEBPS-OAHLLOKOSA-N 0 3 313.466 4.824 20 30 DJEDHN CC(C)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853763 340135090 /nfs/dbraw/zinc/13/50/90/340135090.db2.gz FGKULZSMNFWZHV-ORAYPTAESA-N 0 3 314.379 4.884 20 30 DJEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507615752 340226403 /nfs/dbraw/zinc/22/64/03/340226403.db2.gz AXKBDOMIFHWPFH-ZIAGYGMSSA-N 0 3 313.894 4.595 20 30 DJEDHN CCOc1cccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000508668124 340250065 /nfs/dbraw/zinc/25/00/65/340250065.db2.gz WPMYNKKDQMOYTA-MRXNPFEDSA-N 0 3 308.425 4.540 20 30 DJEDHN C=C(C)CCN1CCC[C@H]1c1ccc(Br)s1 ZINC000508990088 340257126 /nfs/dbraw/zinc/25/71/26/340257126.db2.gz DFBUJPUNNGKWEU-NSHDSACASA-N 0 3 300.265 4.614 20 30 DJEDHN CC(C)[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000509405501 340268403 /nfs/dbraw/zinc/26/84/03/340268403.db2.gz TXFIKBUMNCHKBJ-HXUWFJFHSA-N 0 3 323.484 4.681 20 30 DJEDHN N#Cc1ccc(CN2CCC[C@H]2c2cccc3ccccc32)o1 ZINC000511762200 340337405 /nfs/dbraw/zinc/33/74/05/340337405.db2.gz KREVMRALDWXKLS-FQEVSTJZSA-N 0 3 302.377 4.642 20 30 DJEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000404755732 340413968 /nfs/dbraw/zinc/41/39/68/340413968.db2.gz KZNXEBCPAGFVHC-AWEZNQCLSA-N 0 3 310.416 4.846 20 30 DJEDHN C[C@@H](NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000186840973 340516450 /nfs/dbraw/zinc/51/64/50/340516450.db2.gz PFMQBRMKAIVCEN-CXAGYDPISA-N 0 3 318.342 4.555 20 30 DJEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000192149831 340563165 /nfs/dbraw/zinc/56/31/65/340563165.db2.gz ZTNUCBFAANAHIU-QGZVFWFLSA-N 0 3 302.780 4.592 20 30 DJEDHN CCSc1ccc([C@H](C)NCc2ccc(C#N)c(F)c2)cc1 ZINC000192156140 340563454 /nfs/dbraw/zinc/56/34/54/340563454.db2.gz QHLUNPWKMIHNRA-ZDUSSCGKSA-N 0 3 314.429 4.660 20 30 DJEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000522832972 340607664 /nfs/dbraw/zinc/60/76/64/340607664.db2.gz BGSXXBSOQFNSEG-MRXNPFEDSA-N 0 3 322.427 4.713 20 30 DJEDHN C[C@@H]1C[C@H]1[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000525181531 340693877 /nfs/dbraw/zinc/69/38/77/340693877.db2.gz XYHRQAAMSAWQIZ-UPRAQXHNSA-N 0 3 310.828 4.699 20 30 DJEDHN Cc1ccccc1[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000539608627 340892474 /nfs/dbraw/zinc/89/24/74/340892474.db2.gz VMISFAKDQKJACR-JLTOFOAXSA-N 0 3 308.400 4.808 20 30 DJEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)s1 ZINC000541626108 340978465 /nfs/dbraw/zinc/97/84/65/340978465.db2.gz UCGVJNASYKHPCI-CQSZACIVSA-N 0 3 304.846 4.708 20 30 DJEDHN C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(CC#N)cc1 ZINC000542211545 341000451 /nfs/dbraw/zinc/00/04/51/341000451.db2.gz CVVHQLAUNCUNAA-HNNXBMFYSA-N 0 3 304.393 4.692 20 30 DJEDHN C=C(CC)CN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569447 341014097 /nfs/dbraw/zinc/01/40/97/341014097.db2.gz URUPYLIXFXUFEB-ZDUSSCGKSA-N 0 3 316.470 4.744 20 30 DJEDHN N#CCc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000543186993 341035861 /nfs/dbraw/zinc/03/58/61/341035861.db2.gz ZUCPIOXXPIDWRV-OAQYLSRUSA-N 0 3 322.427 4.913 20 30 DJEDHN N#CCc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543186562 341035865 /nfs/dbraw/zinc/03/58/65/341035865.db2.gz WGWWFCKPJSNACP-OAQYLSRUSA-N 0 3 322.427 4.913 20 30 DJEDHN CC(C)C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000543487823 341047170 /nfs/dbraw/zinc/04/71/70/341047170.db2.gz RNPBAWRSUCDVRH-MRXNPFEDSA-N 0 3 302.418 4.636 20 30 DJEDHN Cc1cc(F)ccc1-c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000543779548 341058396 /nfs/dbraw/zinc/05/83/96/341058396.db2.gz IMRIXCGTSZXCAI-UHFFFAOYSA-N 0 3 312.388 4.520 20 30 DJEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000544119094 341071058 /nfs/dbraw/zinc/07/10/58/341071058.db2.gz QINPRAVQGRQDGG-MRXNPFEDSA-N 0 3 300.405 4.757 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973432 341250952 /nfs/dbraw/zinc/25/09/52/341250952.db2.gz BYUZEEHXYUNOMJ-CHWSQXEVSA-N 0 3 318.342 4.989 20 30 DJEDHN CCCC[C@H](CC)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548793843 341276036 /nfs/dbraw/zinc/27/60/36/341276036.db2.gz XGOTUJZHWIBQAA-SFHVURJKSA-N 0 3 313.489 4.545 20 30 DJEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170005 341287771 /nfs/dbraw/zinc/28/77/71/341287771.db2.gz FGTCWBVQYQJWIF-BBRMVZONSA-N 0 3 322.374 4.674 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536577 341296777 /nfs/dbraw/zinc/29/67/77/341296777.db2.gz SKSHSLNJNURKCD-BXTJHSDWSA-N 0 3 308.400 4.836 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865792 341305422 /nfs/dbraw/zinc/30/54/22/341305422.db2.gz DCQGZJGCMUQVBT-UKRRQHHQSA-N 0 3 322.374 4.577 20 30 DJEDHN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccc(C#N)cc1 ZINC000551813261 341352672 /nfs/dbraw/zinc/35/26/72/341352672.db2.gz FAEUJMYWSZVLNV-CQSZACIVSA-N 0 3 310.828 4.942 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(CC)s2)cc1 ZINC000552090987 341369071 /nfs/dbraw/zinc/36/90/71/341369071.db2.gz ZGGJEUQAXBWGTF-AWEZNQCLSA-N 0 3 301.455 4.726 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](c2ccc(C)o2)C2CCC2)cc1 ZINC000552323238 341386400 /nfs/dbraw/zinc/38/64/00/341386400.db2.gz AXGNZLZMLIADHC-HXUWFJFHSA-N 0 3 311.425 4.784 20 30 DJEDHN Cc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000553293907 341423639 /nfs/dbraw/zinc/42/36/39/341423639.db2.gz OTRWVAJDCFSAIG-IIBYNOLFSA-N 0 3 304.437 4.903 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](c1ccc(F)cc1)C1CC1 ZINC000553293694 341423643 /nfs/dbraw/zinc/42/36/43/341423643.db2.gz CIPVPHCFVMVRFE-RTWAWAEBSA-N 0 3 320.411 4.816 20 30 DJEDHN C[C@H](N[C@@H](C)c1nccc2ccccc21)c1ccc(C#N)cc1 ZINC000554987929 341471710 /nfs/dbraw/zinc/47/17/10/341471710.db2.gz GXUWHKZOZWYMNY-GJZGRUSLSA-N 0 3 301.393 4.518 20 30 DJEDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000565546529 341530623 /nfs/dbraw/zinc/53/06/23/341530623.db2.gz YDLAPNJLFBLGMQ-QRWLVFNGSA-N 0 3 320.436 4.604 20 30 DJEDHN CCOc1ccccc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000565850390 341540041 /nfs/dbraw/zinc/54/00/41/341540041.db2.gz LQCVBELZIYFLHC-MGPUTAFESA-N 0 3 320.436 4.685 20 30 DJEDHN N#Cc1cccc(CN[C@H]2CCc3c2cc(Cl)cc3Cl)c1 ZINC000154576804 341591804 /nfs/dbraw/zinc/59/18/04/341591804.db2.gz BMDUAHYLLANXMC-KRWDZBQOSA-N 0 3 317.219 4.642 20 30 DJEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2cccc(F)c2o1 ZINC000567315730 341594662 /nfs/dbraw/zinc/59/46/62/341594662.db2.gz AHFJWHOFJNWSSY-SGTLLEGYSA-N 0 3 320.367 4.782 20 30 DJEDHN CC(C)(C)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000568334030 341665848 /nfs/dbraw/zinc/66/58/48/341665848.db2.gz QIPWJWAMTQQWIZ-PMACEKPBSA-N 0 3 304.437 4.923 20 30 DJEDHN N#Cc1csc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000177681232 341923601 /nfs/dbraw/zinc/92/36/01/341923601.db2.gz AMZZOKXIQGVDAH-MRXNPFEDSA-N 0 3 302.830 4.514 20 30 DJEDHN CCCC[C@@H](NCc1cc(C#N)cs1)c1ccc(OC)cc1 ZINC000177695962 341924079 /nfs/dbraw/zinc/92/40/79/341924079.db2.gz CPRTYUVDJPLYOH-GOSISDBHSA-N 0 3 314.454 4.649 20 30 DJEDHN CCSc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1 ZINC000177696102 341924194 /nfs/dbraw/zinc/92/41/94/341924194.db2.gz VPKDIIXJMNAWFM-GFCCVEGCSA-N 0 3 302.468 4.583 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)NCc2cc(C#N)cs2)cc1 ZINC000177696088 341924198 /nfs/dbraw/zinc/92/41/98/341924198.db2.gz VZVLTEDMZUQLBU-ZDUSSCGKSA-N 0 3 316.495 4.971 20 30 DJEDHN C[C@@H]1C[C@H]1[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000177706673 341924672 /nfs/dbraw/zinc/92/46/72/341924672.db2.gz FUJOMOZHSXSLAK-SSKCKEOISA-N 0 3 316.857 4.760 20 30 DJEDHN C[C@@H](NCc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000181654421 525534062 /nfs/dbraw/zinc/53/40/62/525534062.db2.gz WIKPTZAMPCDDMC-MRXNPFEDSA-N 0 3 322.452 4.724 20 30 DJEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000126528011 525534737 /nfs/dbraw/zinc/53/47/37/525534737.db2.gz SMSYSSDVHPSQOV-IRXDYDNUSA-N 0 3 319.452 4.570 20 30 DJEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccccc1C(C)(C)C#N ZINC000425543981 335038800 /nfs/dbraw/zinc/03/88/00/335038800.db2.gz ZZDNYIYGQRVBEK-MRXNPFEDSA-N 0 3 317.436 4.552 20 30 DJEDHN CSc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272304349 130018776 /nfs/dbraw/zinc/01/87/76/130018776.db2.gz RYYWFTDYNJZKSB-CQSZACIVSA-N 0 3 308.450 4.620 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000121443986 132155888 /nfs/dbraw/zinc/15/58/88/132155888.db2.gz UOCZJQZYHIEOJL-OLZOCXBDSA-N 0 3 316.351 4.571 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000121444153 132156155 /nfs/dbraw/zinc/15/61/55/132156155.db2.gz UOCZJQZYHIEOJL-QWHCGFSZSA-N 0 3 316.351 4.571 20 30 DJEDHN CC[C@@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000570896499 332837046 /nfs/dbraw/zinc/83/70/46/332837046.db2.gz SPKDSZHXWKUXCJ-GOSISDBHSA-N 0 3 310.828 4.942 20 30 DJEDHN C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000173919729 332841081 /nfs/dbraw/zinc/84/10/81/332841081.db2.gz JYRIIZIWBAFKEQ-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN N#Cc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000037073338 331536222 /nfs/dbraw/zinc/53/62/22/331536222.db2.gz ZPMCWABVGSUZAT-MRXNPFEDSA-N 0 3 314.841 4.538 20 30 DJEDHN C=CCC[C@@H](N[C@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950189 331564905 /nfs/dbraw/zinc/56/49/05/331564905.db2.gz MAQMSDFKNSDCKL-UXHICEINSA-N 0 3 307.437 4.980 20 30 DJEDHN CC1(C)C[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000556602857 331719749 /nfs/dbraw/zinc/71/97/49/331719749.db2.gz CWERECFCXKFFOF-IBGZPJMESA-N 0 3 302.421 4.560 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000323089230 331786431 /nfs/dbraw/zinc/78/64/31/331786431.db2.gz VYFQAEKIBDWSEN-SFHVURJKSA-N 0 3 314.379 4.713 20 30 DJEDHN COc1cc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)ccc1C#N ZINC000564434496 331788258 /nfs/dbraw/zinc/78/82/58/331788258.db2.gz YBCDFEGSQXJQET-UXHICEINSA-N 0 3 320.436 4.541 20 30 DJEDHN CC(C)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000557517109 331796729 /nfs/dbraw/zinc/79/67/29/331796729.db2.gz DONPAURCXGHPPC-NHCUHLMSSA-N 0 3 304.437 4.923 20 30 DJEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OCc1ccccc1 ZINC000559146788 331982129 /nfs/dbraw/zinc/98/21/29/331982129.db2.gz FHGFFUFBCBZHPE-NEWSRXKRSA-N 0 3 320.436 4.608 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000426287932 332012921 /nfs/dbraw/zinc/01/29/21/332012921.db2.gz HNXDRDKDGLVHES-NHCUHLMSSA-N 0 3 302.421 4.521 20 30 DJEDHN CC(C)(C#N)CCN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000559368387 332134125 /nfs/dbraw/zinc/13/41/25/332134125.db2.gz HPAOLPAIKPRMSM-FQEVSTJZSA-N 0 3 304.437 4.574 20 30 DJEDHN Cc1cc(CNC2(c3ccc(Cl)cc3)CCC2)ccc1C#N ZINC000560065101 332307557 /nfs/dbraw/zinc/30/75/57/332307557.db2.gz LOEHJIQQOIDUDJ-UHFFFAOYSA-N 0 3 310.828 4.689 20 30 DJEDHN N#CC1(CN[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000560177201 332317165 /nfs/dbraw/zinc/31/71/65/332317165.db2.gz UTTZKJKFZUOLKN-DLBZAZTESA-N 0 3 302.849 4.650 20 30 DJEDHN CC[C@H](C)c1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000569822849 332683310 /nfs/dbraw/zinc/68/33/10/332683310.db2.gz VPUINAPZZXSMOJ-KKSFZXQISA-N 0 3 321.468 4.954 20 30 DJEDHN CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)cs1 ZINC000462541727 332977657 /nfs/dbraw/zinc/97/76/57/332977657.db2.gz HDYWUEJRQNQZGK-IEBWSBKVSA-N 0 3 310.466 4.669 20 30 DJEDHN CCN(Cc1cccc(OC(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599900 333267767 /nfs/dbraw/zinc/26/77/67/333267767.db2.gz NHSDXFLYUPBOJP-KRWDZBQOSA-N 0 3 322.452 4.929 20 30 DJEDHN Cc1cc2c(cc1C)[C@@H](NCc1cccc(C#N)c1)CCS2 ZINC000186987716 333383134 /nfs/dbraw/zinc/38/31/34/333383134.db2.gz GSQSCBKDYWNRQN-SFHVURJKSA-N 0 3 308.450 4.502 20 30 DJEDHN N#CCOc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000271817128 334027224 /nfs/dbraw/zinc/02/72/24/334027224.db2.gz BRGKLWSHMBUXSM-NRFANRHFSA-N 0 3 320.436 4.610 20 30 DJEDHN Cc1ccccc1[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271860999 334027725 /nfs/dbraw/zinc/02/77/25/334027725.db2.gz KJJWXACXRWHIQF-IIBYNOLFSA-N 0 3 320.436 4.699 20 30 DJEDHN Cc1ccc([C@@H](N[C@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000271874257 334027942 /nfs/dbraw/zinc/02/79/42/334027942.db2.gz NRFNSFRVIFNLIH-IIBYNOLFSA-N 0 3 320.436 4.699 20 30 DJEDHN CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280095496 334114268 /nfs/dbraw/zinc/11/42/68/334114268.db2.gz MSQFJDFTUDWGBY-RTBURBONSA-N 0 3 308.425 4.786 20 30 DJEDHN Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)CCC#N ZINC000289427071 334165261 /nfs/dbraw/zinc/16/52/61/334165261.db2.gz KBFHQSDCKISMII-UHFFFAOYSA-N 0 3 321.468 4.722 20 30 DJEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511828 334198556 /nfs/dbraw/zinc/19/85/56/334198556.db2.gz IBHIDYVDYHJYBK-KMFMINBZSA-N 0 3 322.374 4.577 20 30 DJEDHN N#CCCC[C@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430888 334199077 /nfs/dbraw/zinc/19/90/77/334199077.db2.gz HZIBBCHFGZUBGN-VQTJNVASSA-N 0 3 320.436 4.794 20 30 DJEDHN N#CCCC[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438776 334202170 /nfs/dbraw/zinc/20/21/70/334202170.db2.gz ALNZRQKOEWPIHM-VQTJNVASSA-N 0 3 308.400 4.838 20 30 DJEDHN COc1cccc2c1CC[C@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340446412 334203490 /nfs/dbraw/zinc/20/34/90/334203490.db2.gz OENJXRGDXBUJMC-WOJBJXKFSA-N 0 3 320.436 4.707 20 30 DJEDHN N#CCCC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000340445125 334203818 /nfs/dbraw/zinc/20/38/18/334203818.db2.gz KNAWGRFPSXMDII-NHCUHLMSSA-N 0 3 315.420 4.570 20 30 DJEDHN COc1ccc2c(c1)[C@@H](N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000340452988 334205549 /nfs/dbraw/zinc/20/55/49/334205549.db2.gz PYGMJVAZXAYQRI-RTWAWAEBSA-N 0 3 320.436 4.707 20 30 DJEDHN COc1ccsc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340451829 334205888 /nfs/dbraw/zinc/20/58/88/334205888.db2.gz OYLBKPXEUMHJBN-HOCLYGCPSA-N 0 3 314.454 4.842 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000298854678 334251773 /nfs/dbraw/zinc/25/17/73/334251773.db2.gz IUHGHAJBGXQZKB-CVEARBPZSA-N 0 3 308.425 4.705 20 30 DJEDHN N#CCC[C@H](NC1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000341355997 334440200 /nfs/dbraw/zinc/44/02/00/334440200.db2.gz QSWWOINXGBRYAH-UUKMXZOPSA-N 0 3 308.400 4.706 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCSc2ccccc21 ZINC000341760165 334478037 /nfs/dbraw/zinc/47/80/37/334478037.db2.gz JLIIJKKVTXOPTO-RBUKOAKNSA-N 0 3 320.461 4.762 20 30 DJEDHN N#CCC[C@@H](NC/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761327 336233330 /nfs/dbraw/zinc/23/33/30/336233330.db2.gz WBULVNHJYBDCPG-SFFCAUCYSA-N 0 3 312.363 4.613 20 30 DJEDHN N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)c(F)c1 ZINC000532567964 336255782 /nfs/dbraw/zinc/25/57/82/336255782.db2.gz OQBJXLNVMUPIFB-UHFFFAOYSA-N 0 3 308.400 4.647 20 30 DJEDHN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000192759171 336260713 /nfs/dbraw/zinc/26/07/13/336260713.db2.gz KCVRFLXHCXNEOE-HOTGVXAUSA-N 0 3 308.425 4.757 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192933451 336285098 /nfs/dbraw/zinc/28/50/98/336285098.db2.gz OAYUZGXPBXBELM-KGLIPLIRSA-N 0 3 314.816 4.654 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192933425 336285195 /nfs/dbraw/zinc/28/51/95/336285195.db2.gz OAYUZGXPBXBELM-KBPBESRZSA-N 0 3 314.816 4.654 20 30 DJEDHN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000192975285 336286228 /nfs/dbraw/zinc/28/62/28/336286228.db2.gz LRTJUIXDWAXBMC-CHWSQXEVSA-N 0 3 316.351 4.571 20 30 DJEDHN CC(C)Oc1cccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000192991099 336286652 /nfs/dbraw/zinc/28/66/52/336286652.db2.gz QFTAPMDMRLKCSJ-HZPDHXFCSA-N 0 3 308.425 4.757 20 30 DJEDHN CCC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999059 336286774 /nfs/dbraw/zinc/28/67/74/336286774.db2.gz OCMVBZYTMXOVGD-OXQOHEQNSA-N 0 3 308.425 4.781 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000193002560 336286801 /nfs/dbraw/zinc/28/68/01/336286801.db2.gz UUIQRDBLAANWCE-QWHCGFSZSA-N 0 3 318.342 4.989 20 30 DJEDHN N#CCCC[C@H](NCc1cc2ccccc2o1)c1ccccc1 ZINC000353912180 336447553 /nfs/dbraw/zinc/44/75/53/336447553.db2.gz DUACIQVWDPZOPX-IBGZPJMESA-N 0 3 304.393 4.958 20 30 DJEDHN CCOc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353917207 336448211 /nfs/dbraw/zinc/44/82/11/336448211.db2.gz SZUKEQBRGJJSJI-FQEVSTJZSA-N 0 3 308.425 4.610 20 30 DJEDHN N#CCC[C@H](NCCc1ccc(F)cc1Cl)c1ccccc1 ZINC000356145348 336538210 /nfs/dbraw/zinc/53/82/10/336538210.db2.gz XBARKQHYEQHPKF-SFHVURJKSA-N 0 3 316.807 4.656 20 30 DJEDHN CC[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721238 337017783 /nfs/dbraw/zinc/01/77/83/337017783.db2.gz VDAUONPGKHRPGE-PWRODBHTSA-N 0 3 320.436 4.519 20 30 DJEDHN CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 ZINC000584380407 337233123 /nfs/dbraw/zinc/23/31/23/337233123.db2.gz ZLGOSCRENINQQP-HNNXBMFYSA-N 0 3 324.390 4.556 20 30 DJEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805269 337250395 /nfs/dbraw/zinc/25/03/95/337250395.db2.gz FBRGAZSEWFZLPB-CORIIIEPSA-N 0 3 306.862 4.549 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000426293984 338025148 /nfs/dbraw/zinc/02/51/48/338025148.db2.gz ZQKRFRHNQPCZGG-VBKZILBWSA-N 0 3 308.400 4.734 20 30 DJEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314491 338026523 /nfs/dbraw/zinc/02/65/23/338026523.db2.gz XOTQXZGDBUQZIK-KXBFYZLASA-N 0 3 308.400 4.665 20 30 DJEDHN C=C(C)[C@H](N[C@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438953 338081019 /nfs/dbraw/zinc/08/10/19/338081019.db2.gz ZOEQPVMTHOMERD-DYVFJYSZSA-N 0 3 309.400 4.519 20 30 DJEDHN Cc1cc([C@H]2CCCN2CCCCC#N)ccc1Br ZINC000430238505 338102690 /nfs/dbraw/zinc/10/26/90/338102690.db2.gz KNXMHVUDSMIOIU-MRXNPFEDSA-N 0 3 321.262 4.588 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(OCc2ccccc2)c1 ZINC000430749004 338113484 /nfs/dbraw/zinc/11/34/84/338113484.db2.gz HISDVYRKPFFHMQ-QGZVFWFLSA-N 0 3 320.436 4.610 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1OCc1ccccc1 ZINC000430750562 338113556 /nfs/dbraw/zinc/11/35/56/338113556.db2.gz BSOIZVTZGCQWHC-KRWDZBQOSA-N 0 3 320.436 4.610 20 30 DJEDHN CCCCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430763077 338114208 /nfs/dbraw/zinc/11/42/08/338114208.db2.gz PFYUCUMAPZCDBD-INIZCTEOSA-N 0 3 300.446 4.600 20 30 DJEDHN CC(C)(C#N)CCCCN1CCC(F)(c2ccccc2)CC1 ZINC000434492412 338218282 /nfs/dbraw/zinc/21/82/82/338218282.db2.gz ODNLHHGFSZHGPX-UHFFFAOYSA-N 0 3 302.437 4.667 20 30 DJEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(c2ccccc2)CC1 ZINC000434492183 338218340 /nfs/dbraw/zinc/21/83/40/338218340.db2.gz MWVNNOAZCXPISI-INIZCTEOSA-N 0 3 308.400 4.580 20 30 DJEDHN CC(C)N(Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000435235946 338234953 /nfs/dbraw/zinc/23/49/53/338234953.db2.gz PIUYFOUFCBFMJQ-UHFFFAOYSA-N 0 3 322.452 4.780 20 30 DJEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(Oc2ccccc2)c1 ZINC000442796370 338432154 /nfs/dbraw/zinc/43/21/54/338432154.db2.gz VMSQJEXLQRPRDL-AEFFLSMTSA-N 0 3 306.409 4.569 20 30 DJEDHN CC(C)Oc1ccc2ccccc2c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000446758098 338535178 /nfs/dbraw/zinc/53/51/78/338535178.db2.gz FUFOFIOLXTZRBC-WMZOPIPTSA-N 0 3 322.452 4.799 20 30 DJEDHN CC[C@H](N[C@@H](CC)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447511237 338553328 /nfs/dbraw/zinc/55/33/28/338553328.db2.gz SNDJNMDLOHBBEG-PMACEKPBSA-N 0 3 308.425 4.759 20 30 DJEDHN CCCOCc1ccccc1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447528969 338554214 /nfs/dbraw/zinc/55/42/14/338554214.db2.gz KFDOPYHCCCIHGA-NRFANRHFSA-N 0 3 322.452 4.726 20 30 DJEDHN CC[C@@H](N[C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000453381690 338835292 /nfs/dbraw/zinc/83/52/92/338835292.db2.gz RYPLDTQRFUKNRZ-UXHICEINSA-N 0 3 319.452 4.570 20 30 DJEDHN N#Cc1ccc(CN[C@@H]2CCCc3c(Cl)cccc32)cc1F ZINC000453394052 338837238 /nfs/dbraw/zinc/83/72/38/338837238.db2.gz VRBHPJPTZDARTF-GOSISDBHSA-N 0 3 314.791 4.518 20 30 DJEDHN N#CCSCCCN1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459750466 339046188 /nfs/dbraw/zinc/04/61/88/339046188.db2.gz PTSBBWLWMKOPJF-GOSISDBHSA-N 0 3 314.498 4.641 20 30 DJEDHN N#CCCCNCc1ccccc1Oc1ccc(F)cc1Cl ZINC000461402247 339063206 /nfs/dbraw/zinc/06/32/06/339063206.db2.gz WHHCEWKNANGUMP-UHFFFAOYSA-N 0 3 318.779 4.665 20 30 DJEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(C2CCCCC2)cc1 ZINC000462029144 339071059 /nfs/dbraw/zinc/07/10/59/339071059.db2.gz HGLYOCCMKUQWOX-DNVCBOLYSA-N 0 3 312.457 4.707 20 30 DJEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101162 339105623 /nfs/dbraw/zinc/10/56/23/339105623.db2.gz CWUYSFBVLYNCGP-CMOCDZPBSA-N 0 3 316.448 4.562 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237133 339110957 /nfs/dbraw/zinc/11/09/57/339110957.db2.gz KFKBCVWRKZWVNS-OPYAIIAOSA-N 0 3 322.427 4.781 20 30 DJEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293733 339113857 /nfs/dbraw/zinc/11/38/57/339113857.db2.gz MOTZJKXCNHFICA-ROUUACIJSA-N 0 3 312.457 4.570 20 30 DJEDHN Cc1ccc([C@H](N[C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000463297323 339113935 /nfs/dbraw/zinc/11/39/35/339113935.db2.gz KPPGTWVVZGTAAL-DUXKGJEZSA-N 0 3 304.437 4.756 20 30 DJEDHN COc1cccc(-c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc2)c1 ZINC000463304255 339114267 /nfs/dbraw/zinc/11/42/67/339114267.db2.gz VJWBAFFFECZROL-PXNSSMCTSA-N 0 3 320.436 4.534 20 30 DJEDHN CCCCN(CCCSCC#N)Cc1ccccc1Cl ZINC000466727024 339214432 /nfs/dbraw/zinc/21/44/32/339214432.db2.gz AXQPWJZEXWSWRY-UHFFFAOYSA-N 0 3 310.894 4.589 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446321 339239189 /nfs/dbraw/zinc/23/91/89/339239189.db2.gz DLSXRFXPVQTMDL-DGCLKSJQSA-N 0 3 309.240 4.654 20 30 DJEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000479391003 339532815 /nfs/dbraw/zinc/53/28/15/339532815.db2.gz MDJJTWBQZMUPMT-OLZOCXBDSA-N 0 3 311.267 4.630 20 30 DJEDHN C[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000479469467 339536827 /nfs/dbraw/zinc/53/68/27/339536827.db2.gz WPNPDHSNAWHFBF-BLVKFPJESA-N 0 3 312.363 4.565 20 30 DJEDHN COCCCC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000479501019 339538334 /nfs/dbraw/zinc/53/83/34/339538334.db2.gz WFOGTXDPAQRFIS-LAUBAEHRSA-N 0 3 322.452 4.767 20 30 DJEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000481654372 339608783 /nfs/dbraw/zinc/60/87/83/339608783.db2.gz VETVHJOXDAVXAZ-YCRPNKLZSA-N 0 3 315.420 4.548 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2ccccc2)CC1 ZINC000481998996 339619176 /nfs/dbraw/zinc/61/91/76/339619176.db2.gz FJMWDGCSEOAQHH-HXUWFJFHSA-N 0 3 302.421 4.605 20 30 DJEDHN C=CCC[C@H](CC)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483637531 339670270 /nfs/dbraw/zinc/67/02/70/339670270.db2.gz HTDYIPJHXBXUCZ-ZFWWWQNUSA-N 0 3 317.408 4.580 20 30 DJEDHN C=CCC[C@H](CC)N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483668868 339671358 /nfs/dbraw/zinc/67/13/58/339671358.db2.gz LVYOBBQPOLKFRQ-HIFRSBDPSA-N 0 3 317.408 4.580 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000485817791 339713607 /nfs/dbraw/zinc/71/36/07/339713607.db2.gz LFBWDQNVBKNKFA-QWHCGFSZSA-N 0 3 307.422 4.580 20 30 DJEDHN Cc1cc(CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N ZINC000500431485 340058445 /nfs/dbraw/zinc/05/84/45/340058445.db2.gz XTWOXBJOWLABQT-LIRRHRJNSA-N 0 3 310.828 4.545 20 30 DJEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853762 340135139 /nfs/dbraw/zinc/13/51/39/340135139.db2.gz FGKULZSMNFWZHV-DJJJIMSYSA-N 0 3 314.379 4.884 20 30 DJEDHN C=CCOc1ccc(CN(Cc2ccc(C#N)o2)C(C)(C)C)cc1 ZINC000506045979 340184156 /nfs/dbraw/zinc/18/41/56/340184156.db2.gz OPHOBOPMJCTGPZ-UHFFFAOYSA-N 0 3 324.424 4.517 20 30 DJEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(F)c(Cl)c1 ZINC000507251591 340215662 /nfs/dbraw/zinc/21/56/62/340215662.db2.gz JDJKZGMLXDFLML-LBPRGKRZSA-N 0 3 302.780 4.544 20 30 DJEDHN Cc1ccccc1-c1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000507727613 340229696 /nfs/dbraw/zinc/22/96/96/340229696.db2.gz WZAJMYSHGHGRBK-UHFFFAOYSA-N 0 3 304.437 4.788 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1F ZINC000512288092 340355621 /nfs/dbraw/zinc/35/56/21/340355621.db2.gz MAGGRAKZJIIZIV-LAPQFRIASA-N 0 3 308.400 4.672 20 30 DJEDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](C)C2 ZINC000512294727 340355891 /nfs/dbraw/zinc/35/58/91/340355891.db2.gz KBDPJYHKVPDEPE-LRDNONRASA-N 0 3 308.400 4.590 20 30 DJEDHN Cc1ccccc1[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000512667671 340372111 /nfs/dbraw/zinc/37/21/11/340372111.db2.gz QPTLNRSGQIGSCU-VBKZILBWSA-N 0 3 308.400 4.808 20 30 DJEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000192149109 340563085 /nfs/dbraw/zinc/56/30/85/340563085.db2.gz PQENTQRUNUBSTI-KRWDZBQOSA-N 0 3 302.780 4.592 20 30 DJEDHN CC(C)[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000236740307 340664389 /nfs/dbraw/zinc/66/43/89/340664389.db2.gz HVQTZMFWERADKB-OAQYLSRUSA-N 0 3 322.452 4.856 20 30 DJEDHN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000538509094 340829740 /nfs/dbraw/zinc/82/97/40/340829740.db2.gz YHOSNQUKOBGJFA-YJYMSZOUSA-N 0 3 308.400 4.771 20 30 DJEDHN C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000538509092 340829751 /nfs/dbraw/zinc/82/97/51/340829751.db2.gz YHOSNQUKOBGJFA-DJJJIMSYSA-N 0 3 308.400 4.771 20 30 DJEDHN N#Cc1ccccc1-c1ccc(CNCc2cccc(F)c2)cc1 ZINC000539105237 340873692 /nfs/dbraw/zinc/87/36/92/340873692.db2.gz OSWPTAVONFAQSD-UHFFFAOYSA-N 0 3 316.379 4.654 20 30 DJEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000540170954 340920254 /nfs/dbraw/zinc/92/02/54/340920254.db2.gz NIIZAUCLBFWFTP-UWVGGRQHSA-N 0 3 321.314 4.505 20 30 DJEDHN CCOc1ccccc1[C@@H](CC(C)C)NCCC(C)(C)C#N ZINC000540713571 340942841 /nfs/dbraw/zinc/94/28/41/340942841.db2.gz HZBRVONZEKLTDT-QGZVFWFLSA-N 0 3 302.462 4.702 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000540918338 340951596 /nfs/dbraw/zinc/95/15/96/340951596.db2.gz ZHLZCRTXFGWCNL-PJSUUKDQSA-N 0 3 308.400 4.672 20 30 DJEDHN N#CCc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000542211751 341000340 /nfs/dbraw/zinc/00/03/40/341000340.db2.gz ODURIKNCEQDXFK-HXUWFJFHSA-N 0 3 308.400 4.523 20 30 DJEDHN CC(C)Oc1ccc2ccccc2c1CN1CCC(CC#N)CC1 ZINC000542881373 341025141 /nfs/dbraw/zinc/02/51/41/341025141.db2.gz FDMDHOBFDHRWPN-UHFFFAOYSA-N 0 3 322.452 4.753 20 30 DJEDHN C[C@@H]1C[C@H]1[C@H](NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183256 341035624 /nfs/dbraw/zinc/03/56/24/341035624.db2.gz LRLDXWJONRIPRG-JSNMRZPZSA-N 0 3 324.855 4.893 20 30 DJEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000544115816 341070902 /nfs/dbraw/zinc/07/09/02/341070902.db2.gz AUQFGCIUIMPNHS-IBGZPJMESA-N 0 3 314.379 4.518 20 30 DJEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000544119093 341070980 /nfs/dbraw/zinc/07/09/80/341070980.db2.gz QINPRAVQGRQDGG-INIZCTEOSA-N 0 3 300.405 4.757 20 30 DJEDHN C=CCC(CC=C)c1nc(-c2ccccc2CN2CCCC2)no1 ZINC000545534054 341129245 /nfs/dbraw/zinc/12/92/45/341129245.db2.gz XPWUFHAYRDTZSV-UHFFFAOYSA-N 0 3 323.440 4.568 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000546165783 341155407 /nfs/dbraw/zinc/15/54/07/341155407.db2.gz DFQUDKNJAYXEKU-HUUCEWRRSA-N 0 3 322.427 4.988 20 30 DJEDHN CC[C@H](CC(F)(F)F)NCc1cc(C(F)(F)F)ccc1F ZINC000546178518 341156121 /nfs/dbraw/zinc/15/61/21/341156121.db2.gz GCRLEWHKIZHULU-SNVBAGLBSA-N 0 3 317.248 4.665 20 30 DJEDHN C[C@@H](c1ccccc1Cl)N(CCCSCC#N)C1CC1 ZINC000074990085 341159131 /nfs/dbraw/zinc/15/91/31/341159131.db2.gz GSJSWBDZSQQCHX-ZDUSSCGKSA-N 0 3 308.878 4.512 20 30 DJEDHN CC(C)(Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 ZINC000236762225 341198675 /nfs/dbraw/zinc/19/86/75/341198675.db2.gz JIOMBFALYQZDLT-UHFFFAOYSA-N 0 3 323.223 4.569 20 30 DJEDHN COc1cccc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000547751021 341230329 /nfs/dbraw/zinc/23/03/29/341230329.db2.gz GMMQMCMCLUUXMK-MRXNPFEDSA-N 0 3 320.436 4.507 20 30 DJEDHN CCN(Cc1ccccc1C(C)(C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000135242958 341234121 /nfs/dbraw/zinc/23/41/21/341234121.db2.gz VLLSFIUCIDIHHP-INIZCTEOSA-N 0 3 322.452 4.776 20 30 DJEDHN CC(C)[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000135674198 341243783 /nfs/dbraw/zinc/24/37/83/341243783.db2.gz JNLBJZQEEDGILM-INIZCTEOSA-N 0 3 304.846 4.760 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000135688219 341244167 /nfs/dbraw/zinc/24/41/67/341244167.db2.gz HXSDPONSVAGUHX-INIZCTEOSA-N 0 3 302.418 4.636 20 30 DJEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865788 341305539 /nfs/dbraw/zinc/30/55/39/341305539.db2.gz DCQGZJGCMUQVBT-DZGCQCFKSA-N 0 3 322.374 4.577 20 30 DJEDHN C[C@@H](c1ccc(Cl)cc1)N(Cc1cccc(C#N)c1)C1CC1 ZINC000550351052 341315532 /nfs/dbraw/zinc/31/55/32/341315532.db2.gz UXSDYSORHDMWSY-AWEZNQCLSA-N 0 3 310.828 4.937 20 30 DJEDHN C[C@@H]1C[C@H]1[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000246138187 341328917 /nfs/dbraw/zinc/32/89/17/341328917.db2.gz FUJOMOZHSXSLAK-LQAWEQHXSA-N 0 3 316.857 4.760 20 30 DJEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000551007124 341328949 /nfs/dbraw/zinc/32/89/49/341328949.db2.gz LKTHVHWGSQRBBJ-CQSZACIVSA-N 0 3 304.368 4.701 20 30 DJEDHN N#Cc1cccc(C2(NCc3csc4ccccc34)CC2)c1 ZINC000551226650 341334476 /nfs/dbraw/zinc/33/44/76/341334476.db2.gz UOQNJKWSEBWLAK-UHFFFAOYSA-N 0 3 304.418 4.552 20 30 DJEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCCC2 ZINC000551805743 341352490 /nfs/dbraw/zinc/35/24/90/341352490.db2.gz YFPAKODCOJCPCL-CQSZACIVSA-N 0 3 322.477 4.838 20 30 DJEDHN C=CCC[C@@H](NCCc1ccc(F)c(F)c1F)c1ccco1 ZINC000552068384 341367182 /nfs/dbraw/zinc/36/71/82/341367182.db2.gz UWWWFYIJGHYGPP-CQSZACIVSA-N 0 3 309.331 4.537 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901994 341389875 /nfs/dbraw/zinc/38/98/75/341389875.db2.gz UNZVAPIYLSENRP-XPGWFJOJSA-N 0 3 308.400 4.587 20 30 DJEDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000565546528 341530641 /nfs/dbraw/zinc/53/06/41/341530641.db2.gz YDLAPNJLFBLGMQ-MGPUTAFESA-N 0 3 320.436 4.604 20 30 DJEDHN CC(C)c1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264390266 341578312 /nfs/dbraw/zinc/57/83/12/341578312.db2.gz RSXRMIMHUMBABQ-MRXNPFEDSA-N 0 3 308.425 4.563 20 30 DJEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000567798163 341634097 /nfs/dbraw/zinc/63/40/97/341634097.db2.gz FYBAMDBHDMHDIZ-OBVPDXSSSA-N 0 3 320.411 4.598 20 30 DJEDHN CC(C)Oc1ccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569055310 341689464 /nfs/dbraw/zinc/68/94/64/341689464.db2.gz FUQSDTMQBGZKGL-BTYIYWSLSA-N 0 3 320.436 4.684 20 30 DJEDHN C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCC(CC#N)CC1 ZINC000573883064 341742115 /nfs/dbraw/zinc/74/21/15/341742115.db2.gz RMOSFKZBQXIGIG-SDNWHVSQSA-N 0 3 322.374 4.734 20 30 DJEDHN Cc1ccc([C@@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000574561442 341762145 /nfs/dbraw/zinc/76/21/45/341762145.db2.gz HAWNHSCDAYOGQC-LEWJYISDSA-N 0 3 302.421 4.595 20 30 DJEDHN N#Cc1cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1F ZINC000176802960 341900861 /nfs/dbraw/zinc/90/08/61/341900861.db2.gz OLRTUTMBMYIJID-GOSISDBHSA-N 0 3 314.791 4.592 20 30 DJEDHN CC(C)c1cccc2c1OCCC[C@H]2NCc1cccc(C#N)c1 ZINC000121879666 517488922 /nfs/dbraw/zinc/48/89/22/517488922.db2.gz ACBRGLTXCZBIKT-HXUWFJFHSA-N 0 3 320.436 4.685 20 30 DJEDHN C[C@@H](N[C@@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839314 525653003 /nfs/dbraw/zinc/65/30/03/525653003.db2.gz JPJGHXMOXGAION-XHBSWPGZSA-N 0 3 314.479 4.896 20 30 DJEDHN C[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130431501 525653229 /nfs/dbraw/zinc/65/32/29/525653229.db2.gz JPJGHXMOXGAION-HWWQOWPSSA-N 0 3 314.479 4.896 20 30 DJEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000442669385 335002482 /nfs/dbraw/zinc/00/24/82/335002482.db2.gz AYRMPEHNJQYXEC-SJLPKXTDSA-N 0 3 322.477 4.733 20 30 DJEDHN C[C@@H](NC1(c2ccc(Cl)cc2)CCC1)c1cccc(C#N)c1 ZINC000557367091 331785545 /nfs/dbraw/zinc/78/55/45/331785545.db2.gz AEAQDAZVHWDMDV-CQSZACIVSA-N 0 3 310.828 4.942 20 30 DJEDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000557518171 331797045 /nfs/dbraw/zinc/79/70/45/331797045.db2.gz VIEVFRJGXFLGAB-QVKFZJNVSA-N 0 3 320.436 4.685 20 30 DJEDHN COc1ccc2c(c1)CCC[C@H]2N[C@@H](CCC#N)c1ccccc1 ZINC000090665032 332092229 /nfs/dbraw/zinc/09/22/29/332092229.db2.gz FHNREWQIRGRYGK-LEWJYISDSA-N 0 3 320.436 4.707 20 30 DJEDHN CCN(Cc1ccc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000569507112 332112587 /nfs/dbraw/zinc/11/25/87/332112587.db2.gz GGARDRLFIJXNTH-QGZVFWFLSA-N 0 3 321.468 4.968 20 30 DJEDHN CC[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000560260695 332324894 /nfs/dbraw/zinc/32/48/94/332324894.db2.gz XRCQNBGBGWDYKV-GOSISDBHSA-N 0 3 310.828 4.942 20 30 DJEDHN CC(C)(C)C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000323165684 332376034 /nfs/dbraw/zinc/37/60/34/332376034.db2.gz UKUUIHDZDWMHJT-LJQANCHMSA-N 0 3 310.416 4.964 20 30 DJEDHN CC(C)c1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000566416151 332395336 /nfs/dbraw/zinc/39/53/36/332395336.db2.gz NSLRALVVWWRUMC-HXUWFJFHSA-N 0 3 307.441 4.564 20 30 DJEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000561139540 332416304 /nfs/dbraw/zinc/41/63/04/332416304.db2.gz DTMYKDSELTVUAI-IVZQSRNASA-N 0 3 316.448 4.775 20 30 DJEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000561139555 332416409 /nfs/dbraw/zinc/41/64/09/332416409.db2.gz DTMYKDSELTVUAI-NYHFZMIOSA-N 0 3 316.448 4.775 20 30 DJEDHN C[C@H](N[C@H]1CC[C@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541067 333162829 /nfs/dbraw/zinc/16/28/29/333162829.db2.gz HDXQMASGJWAJAX-QYWGDWMGSA-N 0 3 320.436 4.878 20 30 DJEDHN N#C[C@H]1CCC[C@H](NC(c2cccs2)c2cccs2)C1 ZINC000185843546 333215045 /nfs/dbraw/zinc/21/50/45/333215045.db2.gz RHDKOBVRQLSJIF-STQMWFEESA-N 0 3 302.468 4.571 20 30 DJEDHN C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(C#N)cc1 ZINC000497585765 333266415 /nfs/dbraw/zinc/26/64/15/333266415.db2.gz SMAPBDSFJNHNRQ-LBPRGKRZSA-N 0 3 302.780 4.544 20 30 DJEDHN CCN(CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621104 333270741 /nfs/dbraw/zinc/27/07/41/333270741.db2.gz SDEHIFHHPUJGAQ-FUHIMQAGSA-N 0 3 314.473 4.536 20 30 DJEDHN CCCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000266771852 333976001 /nfs/dbraw/zinc/97/60/01/333976001.db2.gz JUEZYQQQGSZCQT-HXUWFJFHSA-N 0 3 308.425 4.610 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274629037 334064090 /nfs/dbraw/zinc/06/40/90/334064090.db2.gz OMLMQHMZOWETFJ-FRQCXROJSA-N 0 3 320.436 4.705 20 30 DJEDHN N#C[C@H]1CC[C@@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721046 334191368 /nfs/dbraw/zinc/19/13/68/334191368.db2.gz APXOAECJSUAKSQ-DZGCQCFKSA-N 0 3 320.889 4.589 20 30 DJEDHN COc1ccccc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000340431063 334198406 /nfs/dbraw/zinc/19/84/06/334198406.db2.gz JITLGHHXKGPPJF-APWZRJJASA-N 0 3 308.425 4.781 20 30 DJEDHN COc1ccccc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340431066 334198510 /nfs/dbraw/zinc/19/85/10/334198510.db2.gz JITLGHHXKGPPJF-VQIMIIECSA-N 0 3 308.425 4.781 20 30 DJEDHN N#CCCC[C@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447960 334204543 /nfs/dbraw/zinc/20/45/43/334204543.db2.gz QGSNTXKBGWWXQN-SFTDATJTSA-N 0 3 320.436 4.794 20 30 DJEDHN N#CCCC[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449736 334205446 /nfs/dbraw/zinc/20/54/46/334205446.db2.gz WOPUXYNTLCBNGJ-WOJBJXKFSA-N 0 3 308.400 4.838 20 30 DJEDHN COc1ccsc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340451812 334205868 /nfs/dbraw/zinc/20/58/68/334205868.db2.gz OYLBKPXEUMHJBN-GDBMZVCRSA-N 0 3 314.454 4.842 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453941 334206560 /nfs/dbraw/zinc/20/65/60/334206560.db2.gz SDULXHZBBYZFKE-OXQOHEQNSA-N 0 3 303.409 4.644 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340457981 334207651 /nfs/dbraw/zinc/20/76/51/334207651.db2.gz XEWVUTHPNAHOSL-FXAWDEMLSA-N 0 3 321.468 4.838 20 30 DJEDHN CC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000453289755 334248711 /nfs/dbraw/zinc/24/87/11/334248711.db2.gz ITWPZICKWMJLFY-HEHGZKQESA-N 0 3 321.262 4.572 20 30 DJEDHN C[C@H]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000342801779 334573163 /nfs/dbraw/zinc/57/31/63/334573163.db2.gz YKGOMRMFBMHXJE-YWZLYKJASA-N 0 3 302.421 4.776 20 30 DJEDHN COc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000417372311 334764972 /nfs/dbraw/zinc/76/49/72/334764972.db2.gz VTTZWZGDXKXBFV-VFNWGFHPSA-N 0 3 320.436 4.604 20 30 DJEDHN CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C#N)cs1)CCC2 ZINC000535690826 335730867 /nfs/dbraw/zinc/73/08/67/335730867.db2.gz OGLPPFXWQLOQPR-IBGZPJMESA-N 0 3 310.466 4.910 20 30 DJEDHN CC(C)(CCC#N)CNCc1ccc(F)c(Cl)c1Cl ZINC000520279873 335956856 /nfs/dbraw/zinc/95/68/56/335956856.db2.gz BLEOOOGRFCYFSG-UHFFFAOYSA-N 0 3 303.208 4.552 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@H](CC1CCC1)c1ccccc1 ZINC000351026010 336005297 /nfs/dbraw/zinc/00/52/97/336005297.db2.gz IPWMTRBRKJRBJQ-HXUWFJFHSA-N 0 3 320.436 4.588 20 30 DJEDHN CCC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117269 336279444 /nfs/dbraw/zinc/27/94/44/336279444.db2.gz ORYMBIHQLOLIFT-KUHUBIRLSA-N 0 3 323.396 4.658 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000192933438 336285167 /nfs/dbraw/zinc/28/51/67/336285167.db2.gz OAYUZGXPBXBELM-UONOGXRCSA-N 0 3 314.816 4.654 20 30 DJEDHN CCc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980141 336286451 /nfs/dbraw/zinc/28/64/51/336286451.db2.gz WQKWGJCMFBGVDY-HZPDHXFCSA-N 0 3 308.425 4.563 20 30 DJEDHN CC(C)Oc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000192991086 336286644 /nfs/dbraw/zinc/28/66/44/336286644.db2.gz QFTAPMDMRLKCSJ-HOTGVXAUSA-N 0 3 308.425 4.757 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000103345367 336376394 /nfs/dbraw/zinc/37/63/94/336376394.db2.gz KWYWPQQIXGZUCC-HNNXBMFYSA-N 0 3 310.466 4.910 20 30 DJEDHN COc1cc(CN[C@H](CC2CCC2)c2ccccc2)ccc1C#N ZINC000353623222 336429514 /nfs/dbraw/zinc/42/95/14/336429514.db2.gz OIJJEKNXYAFWMG-HXUWFJFHSA-N 0 3 320.436 4.588 20 30 DJEDHN N#CCCC[C@@H](NCc1ccc2c(c1)CCC2)c1ccccc1 ZINC000353917173 336448119 /nfs/dbraw/zinc/44/81/19/336448119.db2.gz SOLSNNOGWYPOPX-OAQYLSRUSA-N 0 3 304.437 4.700 20 30 DJEDHN C[C@@H]1[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000361895379 336777357 /nfs/dbraw/zinc/77/73/57/336777357.db2.gz WUNWHECDVMQFNB-LRGNLBRXSA-N 0 3 304.437 4.813 20 30 DJEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000582632727 337116455 /nfs/dbraw/zinc/11/64/55/337116455.db2.gz CRSUFVRZEOPEFP-NHCUHLMSSA-N 0 3 323.484 4.646 20 30 DJEDHN COc1cc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000582635708 337116610 /nfs/dbraw/zinc/11/66/10/337116610.db2.gz BTLAKVZHKPZQJO-HNNXBMFYSA-N 0 3 322.452 4.715 20 30 DJEDHN COc1cc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000582635711 337116626 /nfs/dbraw/zinc/11/66/26/337116626.db2.gz BTLAKVZHKPZQJO-OAHLLOKOSA-N 0 3 322.452 4.715 20 30 DJEDHN N#CCCCOc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000191682943 337300442 /nfs/dbraw/zinc/30/04/42/337300442.db2.gz BAEHIBLIRBVKLR-UHFFFAOYSA-N 0 3 320.436 4.536 20 30 DJEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722586 337318268 /nfs/dbraw/zinc/31/82/68/337318268.db2.gz FIZRSPFRLGUFQX-RTWAWAEBSA-N 0 3 320.411 4.816 20 30 DJEDHN C=CCC(C)(C)CN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000571779833 337576520 /nfs/dbraw/zinc/57/65/20/337576520.db2.gz WEDKTXFHPRPTSZ-LJQANCHMSA-N 0 3 312.432 4.810 20 30 DJEDHN Cc1ccccc1C(N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1C ZINC000572019276 337586893 /nfs/dbraw/zinc/58/68/93/337586893.db2.gz SFBMWNZWAQDNLN-QZTJIDSGSA-N 0 3 304.437 4.675 20 30 DJEDHN N#C[C@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000424317325 337819926 /nfs/dbraw/zinc/81/99/26/337819926.db2.gz BWMOQNIWKODGMY-GDIGMMSISA-N 0 3 310.828 4.711 20 30 DJEDHN CC[C@H](Cc1ccc(Cl)cc1Cl)NCc1ccc(C#N)o1 ZINC000537297878 337929258 /nfs/dbraw/zinc/92/92/58/337929258.db2.gz GAVXUEOGSFZHCY-CYBMUJFWSA-N 0 3 323.223 4.569 20 30 DJEDHN CC(C)(C#N)CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000537410719 337934028 /nfs/dbraw/zinc/93/40/28/337934028.db2.gz IOCWXPDPUJORCG-UHFFFAOYSA-N 0 3 324.390 4.825 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000514893430 337973495 /nfs/dbraw/zinc/97/34/95/337973495.db2.gz HNXDRDKDGLVHES-SFTDATJTSA-N 0 3 302.421 4.521 20 30 DJEDHN CCCCOc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000516120984 338005825 /nfs/dbraw/zinc/00/58/25/338005825.db2.gz XFYPMUKPQARDCD-NRFANRHFSA-N 0 3 320.436 4.514 20 30 DJEDHN CCSc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000426319768 338026773 /nfs/dbraw/zinc/02/67/73/338026773.db2.gz XYMJAKBTICTHHL-HXUWFJFHSA-N 0 3 322.477 4.837 20 30 DJEDHN CCSc1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000426348769 338028287 /nfs/dbraw/zinc/02/82/87/338028287.db2.gz BZOVUXNMWVJWBV-IBGZPJMESA-N 0 3 310.466 4.911 20 30 DJEDHN N#CCCCCN1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428722893 338059594 /nfs/dbraw/zinc/05/95/94/338059594.db2.gz IJNAVAAXKYVTKK-UHFFFAOYSA-N 0 3 311.256 4.867 20 30 DJEDHN N#CCC1(CNCc2ccc(Sc3ccccc3)cc2)CC1 ZINC000430023925 338093769 /nfs/dbraw/zinc/09/37/69/338093769.db2.gz PRALVFJOIIWQCN-UHFFFAOYSA-N 0 3 308.450 4.621 20 30 DJEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(Cl)cc2)s1 ZINC000430611344 338109896 /nfs/dbraw/zinc/10/98/96/338109896.db2.gz NTTGDRVWWVLPOD-GFCCVEGCSA-N 0 3 318.829 4.584 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1OCc1ccccc1 ZINC000430750563 338113553 /nfs/dbraw/zinc/11/35/53/338113553.db2.gz BSOIZVTZGCQWHC-QGZVFWFLSA-N 0 3 320.436 4.610 20 30 DJEDHN N#CCC1(CN[C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000430755178 338113790 /nfs/dbraw/zinc/11/37/90/338113790.db2.gz POVDREITTNVQQN-AWEZNQCLSA-N 0 3 306.862 4.550 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000430757250 338114056 /nfs/dbraw/zinc/11/40/56/338114056.db2.gz VJBKDRZYBFHHGJ-KRWDZBQOSA-N 0 3 320.436 4.610 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000435664743 338244629 /nfs/dbraw/zinc/24/46/29/338244629.db2.gz NQWFEYZRYISYAX-WQGACYEGSA-N 0 3 314.256 4.625 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(Cl)sc1Cl ZINC000436291951 338266589 /nfs/dbraw/zinc/26/65/89/338266589.db2.gz AZVOCOXFQGMYDW-BREBYQMCSA-N 0 3 320.285 4.687 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000436287993 338266271 /nfs/dbraw/zinc/26/62/71/338266271.db2.gz UMIZABMYCQILSN-OZVIIMIRSA-N 0 3 314.256 4.625 20 30 DJEDHN COc1cc(CNC2(c3ccccc3)CCCCC2)ccc1C#N ZINC000440823814 338398275 /nfs/dbraw/zinc/39/82/75/338398275.db2.gz GITLOZOZALLOST-UHFFFAOYSA-N 0 3 320.436 4.516 20 30 DJEDHN CC[C@H](NCc1cc(F)ccc1SC)c1ccc(C#N)cc1 ZINC000447528869 338554245 /nfs/dbraw/zinc/55/42/45/338554245.db2.gz KLSZENXMKHTFCR-KRWDZBQOSA-N 0 3 314.429 4.660 20 30 DJEDHN CC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 ZINC000447531117 338554578 /nfs/dbraw/zinc/55/45/78/338554578.db2.gz OMYADUONUYWQNN-QGZVFWFLSA-N 0 3 302.780 4.592 20 30 DJEDHN N#CCSCCCN1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459750472 339046217 /nfs/dbraw/zinc/04/62/17/339046217.db2.gz PTSBBWLWMKOPJF-SFHVURJKSA-N 0 3 314.498 4.641 20 30 DJEDHN CC[C@@H](CC#N)N[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065294 339071753 /nfs/dbraw/zinc/07/17/53/339071753.db2.gz MBCKJBWKJROXGZ-LEWJYISDSA-N 0 3 306.453 4.512 20 30 DJEDHN C=CCCN[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462233978 339074736 /nfs/dbraw/zinc/07/47/36/339074736.db2.gz FFRQZOYXBNFRCO-GOSISDBHSA-N 0 3 301.817 4.604 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000462843339 339093836 /nfs/dbraw/zinc/09/38/36/339093836.db2.gz TVYGEZSKVWURIH-CKJXQJPGSA-N 0 3 304.437 4.923 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237130 339111041 /nfs/dbraw/zinc/11/10/41/339111041.db2.gz KFKBCVWRKZWVNS-DBXWQHBBSA-N 0 3 322.427 4.781 20 30 DJEDHN Cc1ccc([C@H](N[C@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000463297326 339113943 /nfs/dbraw/zinc/11/39/43/339113943.db2.gz KPPGTWVVZGTAAL-JRGCBEDISA-N 0 3 304.437 4.756 20 30 DJEDHN Cc1ccccc1CN(CCCSCC#N)Cc1ccccc1 ZINC000466742157 339215359 /nfs/dbraw/zinc/21/53/59/339215359.db2.gz FFFJYJFOJVKVPA-UHFFFAOYSA-N 0 3 324.493 4.644 20 30 DJEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000470726479 339326353 /nfs/dbraw/zinc/32/63/53/339326353.db2.gz NFHGAPFPIFEQSD-UHFFFAOYSA-N 0 3 314.379 4.906 20 30 DJEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583830 339348105 /nfs/dbraw/zinc/34/81/05/339348105.db2.gz BWMOQNIWKODGMY-CCKFTAQKSA-N 0 3 310.828 4.711 20 30 DJEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@H]1CC[C@H](C#N)C1 ZINC000471599458 339348949 /nfs/dbraw/zinc/34/89/49/339348949.db2.gz SJDVKEZYCUEKHL-QRTARXTBSA-N 0 3 320.864 4.718 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606611 339349201 /nfs/dbraw/zinc/34/92/01/339349201.db2.gz OIPQYUNDIBSKGX-AHRSYUTCSA-N 0 3 324.855 4.906 20 30 DJEDHN CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619020 339349752 /nfs/dbraw/zinc/34/97/52/339349752.db2.gz MCBWLPQGMDTXEM-KCXAZCMYSA-N 0 3 310.363 4.828 20 30 DJEDHN Cc1ccc2[nH]c(CN[C@H](C)c3ccc(C#N)cc3)cc2c1C ZINC000472047538 339360649 /nfs/dbraw/zinc/36/06/49/339360649.db2.gz KTNWMADBODGTCG-OAHLLOKOSA-N 0 3 303.409 4.507 20 30 DJEDHN CC(C)(C#N)CCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000472428190 339371713 /nfs/dbraw/zinc/37/17/13/339371713.db2.gz FUMBWYXQCWUMFF-AWEZNQCLSA-N 0 3 322.855 4.816 20 30 DJEDHN CC[C@@H](C)c1ccc([C@H](NCc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000480670974 339582587 /nfs/dbraw/zinc/58/25/87/339582587.db2.gz ZNUQHTGEPJQCOI-IIBYNOLFSA-N 0 3 323.484 4.897 20 30 DJEDHN N#Cc1cccc(CN[C@@H]2CCCc3c4ccccc4sc32)c1 ZINC000480811136 339587979 /nfs/dbraw/zinc/58/79/79/339587979.db2.gz HAXGXWBUIDNXKK-GOSISDBHSA-N 0 3 318.445 4.940 20 30 DJEDHN Cc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481911476 339616388 /nfs/dbraw/zinc/61/63/88/339616388.db2.gz GCRAISSVXLTEDK-FQEVSTJZSA-N 0 3 308.400 4.563 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC1(c2ccccc2)CC1 ZINC000481998994 339619200 /nfs/dbraw/zinc/61/92/00/339619200.db2.gz FJMWDGCSEOAQHH-FQEVSTJZSA-N 0 3 302.421 4.605 20 30 DJEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 ZINC000483708819 339672120 /nfs/dbraw/zinc/67/21/20/339672120.db2.gz CKRYJOBUEDDRLL-ZDUSSCGKSA-N 0 3 308.809 4.653 20 30 DJEDHN C[C@H](NC[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000495016796 339970293 /nfs/dbraw/zinc/97/02/93/339970293.db2.gz KJPKXYARHGSBBJ-JSGCOSHPSA-N 0 3 310.363 4.564 20 30 DJEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1ccc(C#N)cc1 ZINC000507205359 340213200 /nfs/dbraw/zinc/21/32/00/340213200.db2.gz VZBONPUHWRESOA-ZDUSSCGKSA-N 0 3 318.342 4.770 20 30 DJEDHN CN(CCc1cccc2ccccc21)Cc1cc(C#N)ccc1F ZINC000507308083 340216863 /nfs/dbraw/zinc/21/68/63/340216863.db2.gz WRUIXQUQYSSPPA-UHFFFAOYSA-N 0 3 318.395 4.525 20 30 DJEDHN C=C(C)CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000508992019 340257293 /nfs/dbraw/zinc/25/72/93/340257293.db2.gz UBGZMEALHZWIPE-SFHVURJKSA-N 0 3 300.833 4.575 20 30 DJEDHN C=C(C)CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000508992015 340257297 /nfs/dbraw/zinc/25/72/97/340257297.db2.gz UBGZMEALHZWIPE-GOSISDBHSA-N 0 3 300.833 4.575 20 30 DJEDHN CC(C)(C#N)CCCN1CC=C(c2ccccc2Cl)CC1 ZINC000509440910 340269569 /nfs/dbraw/zinc/26/95/69/340269569.db2.gz ZQXJGAGTJBZSME-UHFFFAOYSA-N 0 3 302.849 4.759 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1F ZINC000512288087 340355633 /nfs/dbraw/zinc/35/56/33/340355633.db2.gz MAGGRAKZJIIZIV-CKNLXJGOSA-N 0 3 308.400 4.672 20 30 DJEDHN C=C(C)[C@@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652298 340371119 /nfs/dbraw/zinc/37/11/19/340371119.db2.gz LKIPLUJXLMAFKF-BFUOFWGJSA-N 0 3 317.379 4.508 20 30 DJEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000404755738 340413960 /nfs/dbraw/zinc/41/39/60/340413960.db2.gz KZNXEBCPAGFVHC-CQSZACIVSA-N 0 3 310.416 4.846 20 30 DJEDHN C=C(CC)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000540202767 340923180 /nfs/dbraw/zinc/92/31/80/340923180.db2.gz KUFJIEMMFHEXSW-UHFFFAOYSA-N 0 3 304.821 4.627 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000540605128 340938219 /nfs/dbraw/zinc/93/82/19/340938219.db2.gz CNGXVXHQAVKFNA-STQMWFEESA-N 0 3 318.342 4.989 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@@H](CC(C)C)c1cccs1 ZINC000542556660 341013425 /nfs/dbraw/zinc/01/34/25/341013425.db2.gz UJHKVOKRDPMTDM-INIZCTEOSA-N 0 3 314.454 4.505 20 30 DJEDHN C[C@H](N[C@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602136 341050679 /nfs/dbraw/zinc/05/06/79/341050679.db2.gz GRCFCZKRSJWTIA-DJJJIMSYSA-N 0 3 310.828 4.940 20 30 DJEDHN Cc1cccc(C)c1[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000545465130 341126362 /nfs/dbraw/zinc/12/63/62/341126362.db2.gz MXTZKLGREDTNKV-GOSISDBHSA-N 0 3 322.452 4.837 20 30 DJEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2ccccc2n1 ZINC000074354063 341144561 /nfs/dbraw/zinc/14/45/61/341144561.db2.gz PHXDBCFAWXKKEZ-UHFFFAOYSA-N 0 3 315.420 4.517 20 30 DJEDHN COc1ccc2cc(CN[C@@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000075755709 341181990 /nfs/dbraw/zinc/18/19/90/341181990.db2.gz JZFXQMKBVBQFQW-HNNXBMFYSA-N 0 3 316.404 4.571 20 30 DJEDHN CC(C)(CNCc1ccc(C#N)o1)c1c(Cl)cccc1Cl ZINC000236733791 341197292 /nfs/dbraw/zinc/19/72/92/341197292.db2.gz KRLMIBJXFQFVHL-UHFFFAOYSA-N 0 3 323.223 4.525 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000237878800 341222441 /nfs/dbraw/zinc/22/24/41/341222441.db2.gz QZCIOUSDAVCSGJ-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000136221645 341255101 /nfs/dbraw/zinc/25/51/01/341255101.db2.gz JVAFCZFVGYXSKL-NSHDSACASA-N 0 3 322.305 4.567 20 30 DJEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927611 341307071 /nfs/dbraw/zinc/30/70/71/341307071.db2.gz BRDDCENVGXIKMV-ZOBUZTSGSA-N 0 3 324.399 4.961 20 30 DJEDHN CCCN(Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000550030844 341308971 /nfs/dbraw/zinc/30/89/71/341308971.db2.gz DJCBTLKHVMYNJP-UHFFFAOYSA-N 0 3 304.846 4.685 20 30 DJEDHN C[C@H](F)CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000550271378 341314053 /nfs/dbraw/zinc/31/40/53/341314053.db2.gz MOBQGQWJQCPCAT-QMMMGPOBSA-N 0 3 317.248 4.562 20 30 DJEDHN C=CCC[C@H](NCCc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000550857086 341324715 /nfs/dbraw/zinc/32/47/15/341324715.db2.gz NKENJXYKAHWCMJ-AWEZNQCLSA-N 0 3 324.346 4.533 20 30 DJEDHN C[C@H](NC1(c2ccc(Cl)cc2)CCC1)c1ccc(C#N)cc1 ZINC000551813249 341352769 /nfs/dbraw/zinc/35/27/69/341352769.db2.gz FAEUJMYWSZVLNV-AWEZNQCLSA-N 0 3 310.828 4.942 20 30 DJEDHN CCCOc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551816531 341352791 /nfs/dbraw/zinc/35/27/91/341352791.db2.gz AELINUYDRIOGFJ-MRXNPFEDSA-N 0 3 320.436 4.687 20 30 DJEDHN C=CCC[C@@H](NCCc1ccc2ccccc2n1)c1ccco1 ZINC000552045846 341364710 /nfs/dbraw/zinc/36/47/10/341364710.db2.gz QXZHZFUMXAEDBA-LJQANCHMSA-N 0 3 306.409 4.667 20 30 DJEDHN C=CCC[C@@H](NC1CCN(c2ccccc2)CC1)c1ccco1 ZINC000552047041 341364894 /nfs/dbraw/zinc/36/48/94/341364894.db2.gz YKZRVFNKZPTRDK-LJQANCHMSA-N 0 3 310.441 4.546 20 30 DJEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(CC)s2)cc1 ZINC000552090988 341369051 /nfs/dbraw/zinc/36/90/51/341369051.db2.gz ZGGJEUQAXBWGTF-CQSZACIVSA-N 0 3 301.455 4.726 20 30 DJEDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000553002659 341412456 /nfs/dbraw/zinc/41/24/56/341412456.db2.gz CHFSBRMQHIRWOE-OBVPDXSSSA-N 0 3 320.411 4.598 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ccc(F)cc1)C1CC1 ZINC000553293695 341423635 /nfs/dbraw/zinc/42/36/35/341423635.db2.gz CIPVPHCFVMVRFE-SFTDATJTSA-N 0 3 320.411 4.816 20 30 DJEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1cc2ccccc2o1 ZINC000572639693 341698697 /nfs/dbraw/zinc/69/86/97/341698697.db2.gz SDGCNFZRBCXPGQ-OAQYLSRUSA-N 0 3 318.420 4.986 20 30 DJEDHN Cc1ccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000574561445 341762134 /nfs/dbraw/zinc/76/21/34/341762134.db2.gz HAWNHSCDAYOGQC-SFTDATJTSA-N 0 3 302.421 4.595 20 30 DJEDHN N#CCCCCN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000575781841 341804188 /nfs/dbraw/zinc/80/41/88/341804188.db2.gz OOHYNABICKWLSM-UHFFFAOYSA-N 0 3 311.256 4.867 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000176957799 341906853 /nfs/dbraw/zinc/90/68/53/341906853.db2.gz KBNMCKWMTKLJSS-GOSISDBHSA-N 0 3 314.429 4.780 20 30 DJEDHN N#Cc1csc(CN[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000177681275 341923546 /nfs/dbraw/zinc/92/35/46/341923546.db2.gz RYGPBHADJFIYNG-HXUWFJFHSA-N 0 3 318.445 4.693 20 30 DJEDHN CC(C)(C)[C@H](NCc1ccc(C#N)s1)c1cccc(F)c1 ZINC000178614642 341959911 /nfs/dbraw/zinc/95/99/11/341959911.db2.gz RPASYNVXVUNXCF-MRXNPFEDSA-N 0 3 302.418 4.636 20 30 DJEDHN C[C@H](N[C@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839313 525636978 /nfs/dbraw/zinc/63/69/78/525636978.db2.gz JPJGHXMOXGAION-WQGACYEGSA-N 0 3 314.479 4.896 20 30 DJEDHN N#CCCCCN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000180429179 331569148 /nfs/dbraw/zinc/56/91/48/331569148.db2.gz GQSOVAFQSHTTJG-GOSISDBHSA-N 0 3 316.807 4.852 20 30 DJEDHN C=CCC[C@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 ZINC000558091346 331865464 /nfs/dbraw/zinc/86/54/64/331865464.db2.gz BJGVKYKMEJEWDM-IBGZPJMESA-N 0 3 310.441 4.504 20 30 DJEDHN CCCN(Cc1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000559432397 332258618 /nfs/dbraw/zinc/25/86/18/332258618.db2.gz RQKPILYFXFUBQU-UHFFFAOYSA-N 0 3 304.393 4.717 20 30 DJEDHN CC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccc(C)cc1 ZINC000237017616 332284010 /nfs/dbraw/zinc/28/40/10/332284010.db2.gz OWZNIBNZUGWDMI-OAQYLSRUSA-N 0 3 322.452 4.919 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cc3ccccc3s1)CC2 ZINC000559877855 332288414 /nfs/dbraw/zinc/28/84/14/332288414.db2.gz OVAXRFUNXXZQOE-SFHVURJKSA-N 0 3 304.418 4.550 20 30 DJEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)c1ccc(C(C)(C)C)cc1 ZINC000560236576 332321375 /nfs/dbraw/zinc/32/13/75/332321375.db2.gz ZJHQREFOMUDOQH-FQEVSTJZSA-N 0 3 321.468 4.738 20 30 DJEDHN Cc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000237333044 332343020 /nfs/dbraw/zinc/34/30/20/332343020.db2.gz JMPLCCRYILAICC-QGZVFWFLSA-N 0 3 308.425 4.528 20 30 DJEDHN C=CCC[C@H](N[C@H]1CCO[C@H](C(CC)CC)C1)c1ccco1 ZINC000560550021 332358426 /nfs/dbraw/zinc/35/84/26/332358426.db2.gz SUUQPFHXQBCMRL-LNLFQRSKSA-N 0 3 305.462 4.860 20 30 DJEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 ZINC000570131450 332715552 /nfs/dbraw/zinc/71/55/52/332715552.db2.gz MYNVUHPNESLLRF-RBUKOAKNSA-N 0 3 310.828 4.940 20 30 DJEDHN C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)cc1F ZINC000462535934 332973215 /nfs/dbraw/zinc/97/32/15/332973215.db2.gz CZRNTWYHJUYHMM-VLIAUNLRSA-N 0 3 308.400 4.501 20 30 DJEDHN Cc1cccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000180543270 333162944 /nfs/dbraw/zinc/16/29/44/333162944.db2.gz WVEZOFWVYXKXPV-IRXDYDNUSA-N 0 3 308.425 4.618 20 30 DJEDHN N#C[C@H]1CCC[C@@H](NC(c2cccs2)c2cccs2)C1 ZINC000185843529 333215005 /nfs/dbraw/zinc/21/50/05/333215005.db2.gz RHDKOBVRQLSJIF-QWHCGFSZSA-N 0 3 302.468 4.571 20 30 DJEDHN CCN(CCO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497621112 333270750 /nfs/dbraw/zinc/27/07/50/333270750.db2.gz SDEHIFHHPUJGAQ-SQGPQFPESA-N 0 3 314.473 4.536 20 30 DJEDHN N#CC1(CCN2CCC(OCC3CCCC3)CC2)CCCCC1 ZINC000411326899 333656170 /nfs/dbraw/zinc/65/61/70/333656170.db2.gz IBMMYSPQOKINPU-UHFFFAOYSA-N 0 3 318.505 4.522 20 30 DJEDHN C=CCCNC1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000571385562 333780234 /nfs/dbraw/zinc/78/02/34/333780234.db2.gz GWGTYQKSRVJCGU-UHFFFAOYSA-N 0 3 316.445 4.803 20 30 DJEDHN C[C@H](NCC(C)(C)CC#N)c1cc(Cl)ccc1OC(F)F ZINC000414161391 333915159 /nfs/dbraw/zinc/91/51/59/333915159.db2.gz FKOLRSWPPZDJBK-JTQLQIEISA-N 0 3 316.779 4.532 20 30 DJEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000414251569 333920948 /nfs/dbraw/zinc/92/09/48/333920948.db2.gz ACJFHCMLLZXBGE-CYBMUJFWSA-N 0 3 318.342 4.736 20 30 DJEDHN C=C(CN[C@H]1CCSc2ccc(OC)cc21)c1ccccc1 ZINC000343474116 335167654 /nfs/dbraw/zinc/16/76/54/335167654.db2.gz XHGOMAAPETXWGK-SFHVURJKSA-N 0 3 311.450 4.535 20 30 DJEDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000271479700 334023560 /nfs/dbraw/zinc/02/35/60/334023560.db2.gz NEQGRCRGFQWJQC-IRXDYDNUSA-N 0 3 308.425 4.618 20 30 DJEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCC(C)(C)C#N ZINC000273301343 334045156 /nfs/dbraw/zinc/04/51/56/334045156.db2.gz NCZXYSPGYSATLR-CYBMUJFWSA-N 0 3 313.470 4.709 20 30 DJEDHN Cc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456802 334046970 /nfs/dbraw/zinc/04/69/70/334046970.db2.gz HHOVUGGBTKSCKF-VQIMIIECSA-N 0 3 308.425 4.705 20 30 DJEDHN Cc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456796 334047020 /nfs/dbraw/zinc/04/70/20/334047020.db2.gz HHOVUGGBTKSCKF-LPHOPBHVSA-N 0 3 308.425 4.705 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444205 334202908 /nfs/dbraw/zinc/20/29/08/334202908.db2.gz GYCHNAAPBKVEMI-HNAYVOBHSA-N 0 3 323.396 4.681 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)sc1Cl ZINC000296464336 334234346 /nfs/dbraw/zinc/23/43/46/334234346.db2.gz NKXSUVLAQXZXPR-GUBZILKMSA-N 0 3 303.258 4.788 20 30 DJEDHN CSc1ccccc1C[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000341340756 334431885 /nfs/dbraw/zinc/43/18/85/334431885.db2.gz GTCXYPRQEOLNFD-APWZRJJASA-N 0 3 324.493 4.974 20 30 DJEDHN CC(C)Oc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341760300 334478053 /nfs/dbraw/zinc/47/80/53/334478053.db2.gz LGABOJYTEAQWEG-NRFANRHFSA-N 0 3 320.436 4.513 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2ccc(F)cc21 ZINC000341799813 334480179 /nfs/dbraw/zinc/48/01/79/334480179.db2.gz COTFSKSYMONWFE-RTWAWAEBSA-N 0 3 320.411 4.742 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2ccc(F)cc21 ZINC000341799815 334480186 /nfs/dbraw/zinc/48/01/86/334480186.db2.gz COTFSKSYMONWFE-SFTDATJTSA-N 0 3 320.411 4.742 20 30 DJEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000417368980 334764328 /nfs/dbraw/zinc/76/43/28/334764328.db2.gz QUVTZWCEDATCFL-LEWJYISDSA-N 0 3 320.436 4.685 20 30 DJEDHN COc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000417372312 334764913 /nfs/dbraw/zinc/76/49/13/334764913.db2.gz VTTZWZGDXKXBFV-YCRPNKLZSA-N 0 3 320.436 4.604 20 30 DJEDHN COc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000417372310 334765087 /nfs/dbraw/zinc/76/50/87/334765087.db2.gz VTTZWZGDXKXBFV-QVKFZJNVSA-N 0 3 320.436 4.604 20 30 DJEDHN N#CCc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000343675947 335187485 /nfs/dbraw/zinc/18/74/85/335187485.db2.gz BYCJBTGSPBQUKZ-NRFANRHFSA-N 0 3 304.437 4.774 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2sccc21 ZINC000344135225 335220795 /nfs/dbraw/zinc/22/07/95/335220795.db2.gz PNZDBLLQOFFDEM-QZTJIDSGSA-N 0 3 308.450 4.664 20 30 DJEDHN N#CCC[C@@H](NC/C=C\c1ccc(F)cc1F)c1ccccc1 ZINC000350092083 335723868 /nfs/dbraw/zinc/72/38/68/335723868.db2.gz FKJHDERIYTVMDG-NVAPOSRTSA-N 0 3 312.363 4.613 20 30 DJEDHN CCCCc1oc2ccccc2c1CNCc1cccc(C#N)c1 ZINC000324274595 336124567 /nfs/dbraw/zinc/12/45/67/336124567.db2.gz ZEWQROGJTYDVOD-UHFFFAOYSA-N 0 3 318.420 4.937 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612094 336226998 /nfs/dbraw/zinc/22/69/98/336226998.db2.gz MREMKMKAWCZGMP-NHCUHLMSSA-N 0 3 304.437 4.985 20 30 DJEDHN C=C1CCN([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000532556504 336255451 /nfs/dbraw/zinc/25/54/51/336255451.db2.gz LKOKCGLIGCSOMU-KRWDZBQOSA-N 0 3 320.436 4.652 20 30 DJEDHN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000192759158 336260750 /nfs/dbraw/zinc/26/07/50/336260750.db2.gz KCVRFLXHCXNEOE-JKSUJKDBSA-N 0 3 308.425 4.757 20 30 DJEDHN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000192991076 336286687 /nfs/dbraw/zinc/28/66/87/336286687.db2.gz QFTAPMDMRLKCSJ-JKSUJKDBSA-N 0 3 308.425 4.757 20 30 DJEDHN CCC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999031 336286715 /nfs/dbraw/zinc/28/67/15/336286715.db2.gz OCMVBZYTMXOVGD-OXJNMPFZSA-N 0 3 308.425 4.781 20 30 DJEDHN Cc1cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016900 336287060 /nfs/dbraw/zinc/28/70/60/336287060.db2.gz ZWRRMMJWIUXTDD-KBPBESRZSA-N 0 3 314.454 4.679 20 30 DJEDHN C=CCC[C@H](N[C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250715 336408284 /nfs/dbraw/zinc/40/82/84/336408284.db2.gz GGPZSOORWXHPLQ-QAPCUYQASA-N 0 3 311.425 4.759 20 30 DJEDHN N#CCCC[C@H](NCc1ccc2ncccc2c1)c1ccccc1 ZINC000353912740 336447555 /nfs/dbraw/zinc/44/75/55/336447555.db2.gz GBZNCMGQQXADEH-FQEVSTJZSA-N 0 3 315.420 4.760 20 30 DJEDHN CSc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353917687 336448311 /nfs/dbraw/zinc/44/83/11/336448311.db2.gz VHNWRDBPOVJSRS-IBGZPJMESA-N 0 3 310.466 4.933 20 30 DJEDHN CC(C)(C#N)CCCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375940237 337023782 /nfs/dbraw/zinc/02/37/82/337023782.db2.gz FHTGVOKYCUBBCU-UHFFFAOYSA-N 0 3 317.864 4.544 20 30 DJEDHN COc1ccc2cc([C@@H](C)NCc3cccc(C#N)c3)ccc2c1 ZINC000193871688 337079739 /nfs/dbraw/zinc/07/97/39/337079739.db2.gz NEESDXHOAHWIKP-OAHLLOKOSA-N 0 3 316.404 4.571 20 30 DJEDHN COc1ccc2cc([C@H](C)NCc3cccc(C#N)c3)ccc2c1 ZINC000193871670 337079769 /nfs/dbraw/zinc/07/97/69/337079769.db2.gz NEESDXHOAHWIKP-HNNXBMFYSA-N 0 3 316.404 4.571 20 30 DJEDHN CC[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962034 337780326 /nfs/dbraw/zinc/78/03/26/337780326.db2.gz DJQCVFZCFJVNHV-QUCCMNQESA-N 0 3 305.425 4.535 20 30 DJEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc2c(ccc3ccccc23)o1 ZINC000424331764 337822238 /nfs/dbraw/zinc/82/22/38/337822238.db2.gz SMOVSPUCDAFDRG-IJEWVQPXSA-N 0 3 304.393 4.929 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000121840192 337901755 /nfs/dbraw/zinc/90/17/55/337901755.db2.gz SASYDKQTCLPVFI-OLZOCXBDSA-N 0 3 318.342 4.989 20 30 DJEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406671 337933615 /nfs/dbraw/zinc/93/36/15/337933615.db2.gz JPPYPGVXGILCRP-XOBRGWDASA-N 0 3 308.400 4.889 20 30 DJEDHN CC(C)[C@H](NCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000537412298 337933993 /nfs/dbraw/zinc/93/39/93/337933993.db2.gz UKGCCGRXPDGHOD-HNNXBMFYSA-N 0 3 312.379 4.932 20 30 DJEDHN C=CC[C@@H](C)[C@H](C)NCc1nc(-c2ccccc2F)cs1 ZINC000428440178 338051521 /nfs/dbraw/zinc/05/15/21/338051521.db2.gz RVOWCPVQMLEBJE-OLZOCXBDSA-N 0 3 304.434 4.640 20 30 DJEDHN N#CCC1(CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000430737600 338112782 /nfs/dbraw/zinc/11/27/82/338112782.db2.gz JDHTVOOQXGMMRY-HNNXBMFYSA-N 0 3 309.240 4.728 20 30 DJEDHN COc1ccccc1-c1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430744199 338113226 /nfs/dbraw/zinc/11/32/26/338113226.db2.gz NIPRBEUWTLVSQW-MRXNPFEDSA-N 0 3 320.436 4.707 20 30 DJEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430750083 338113475 /nfs/dbraw/zinc/11/34/75/338113475.db2.gz YGBCODYJFONULV-OAHLLOKOSA-N 0 3 310.363 4.686 20 30 DJEDHN N#CCCC[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000433014475 338176368 /nfs/dbraw/zinc/17/63/68/338176368.db2.gz SDNCDWQUDSSDLB-FQEVSTJZSA-N 0 3 322.839 4.716 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000435664783 338244604 /nfs/dbraw/zinc/24/46/04/338244604.db2.gz NVGZRNUUDGLBBS-HSMVNMDESA-N 0 3 314.256 4.625 20 30 DJEDHN COc1ccc(C#N)cc1CNC1(c2ccccc2)CCCCC1 ZINC000440927620 338400054 /nfs/dbraw/zinc/40/00/54/338400054.db2.gz LJHMPYFUMSYJQX-UHFFFAOYSA-N 0 3 320.436 4.516 20 30 DJEDHN N#CC1CCC(CNCc2c(Cl)oc3ccccc32)CC1 ZINC000441372735 338410975 /nfs/dbraw/zinc/41/09/75/338410975.db2.gz QFPDEJFUSGZHDU-UHFFFAOYSA-N 0 3 302.805 4.506 20 30 DJEDHN Cc1cccc(Oc2ccccc2CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442776131 338430301 /nfs/dbraw/zinc/43/03/01/338430301.db2.gz BLGAOHHARIFZMD-WMZOPIPTSA-N 0 3 306.409 4.569 20 30 DJEDHN Cc1ccccc1Oc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442780346 338430747 /nfs/dbraw/zinc/43/07/47/338430747.db2.gz MXBAHFDNTYFFBE-WMZOPIPTSA-N 0 3 306.409 4.569 20 30 DJEDHN CC[C@H](N[C@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539880 338555409 /nfs/dbraw/zinc/55/54/09/338555409.db2.gz HZNDKEWQDAROOZ-SFTDATJTSA-N 0 3 320.436 4.759 20 30 DJEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000449130061 338595661 /nfs/dbraw/zinc/59/56/61/338595661.db2.gz XDYKYLMHUBFHJW-SFYCDEOASA-N 0 3 305.491 4.564 20 30 DJEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000449130060 338595784 /nfs/dbraw/zinc/59/57/84/338595784.db2.gz XDYKYLMHUBFHJW-POZPTJLLSA-N 0 3 305.491 4.564 20 30 DJEDHN C=CCC1(NCc2cnc(C(F)(F)F)s2)CCCCC1 ZINC000449571935 338638803 /nfs/dbraw/zinc/63/88/03/338638803.db2.gz HUSHCDZZRUJFKR-UHFFFAOYSA-N 0 3 304.381 4.531 20 30 DJEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccc(Oc2ccccc2)cn1 ZINC000453241737 338812959 /nfs/dbraw/zinc/81/29/59/338812959.db2.gz ZMEZAHKVNGIAJA-MRXNPFEDSA-N 0 3 323.440 4.854 20 30 DJEDHN C[C@H](N[C@H]1CCCc2c(F)cc(F)cc21)c1ccc(C#N)cc1 ZINC000453245744 338813585 /nfs/dbraw/zinc/81/35/85/338813585.db2.gz IDXMWHKXNIECCO-BUXKBTBVSA-N 0 3 312.363 4.565 20 30 DJEDHN C=CCCN[C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462233979 339074715 /nfs/dbraw/zinc/07/47/15/339074715.db2.gz FFRQZOYXBNFRCO-SFHVURJKSA-N 0 3 301.817 4.604 20 30 DJEDHN C=CC[C@@H](CC)N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805808 339090192 /nfs/dbraw/zinc/09/01/92/339090192.db2.gz IOKWCFSFBSZGLC-QWHCGFSZSA-N 0 3 304.434 4.955 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000462842221 339093844 /nfs/dbraw/zinc/09/38/44/339093844.db2.gz XMIFERHVXSUJOJ-QYWGDWMGSA-N 0 3 304.437 4.923 20 30 DJEDHN N#CCSCCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000466725785 339214458 /nfs/dbraw/zinc/21/44/58/339214458.db2.gz YYTJLGSKJKANID-QGZVFWFLSA-N 0 3 322.905 4.904 20 30 DJEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476283 339263726 /nfs/dbraw/zinc/26/37/26/339263726.db2.gz SBTLPHXCZLXPSG-WWGRRREGSA-N 0 3 311.256 4.911 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583833 339348038 /nfs/dbraw/zinc/34/80/38/339348038.db2.gz BWMOQNIWKODGMY-ZMYBRWDISA-N 0 3 310.828 4.711 20 30 DJEDHN CCCOc1ccc(C(C)(C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000475666388 339458588 /nfs/dbraw/zinc/45/85/88/339458588.db2.gz BXAICOBJGQJCPG-UHFFFAOYSA-N 0 3 322.452 4.680 20 30 DJEDHN CCCCCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000480786533 339587235 /nfs/dbraw/zinc/58/72/35/339587235.db2.gz PDZWOZWSTKUNSI-KRWDZBQOSA-N 0 3 322.452 4.978 20 30 DJEDHN COc1ccc([C@H](CCC(C)C)NCc2cccc(C#N)c2)cc1 ZINC000480798064 339587735 /nfs/dbraw/zinc/58/77/35/339587735.db2.gz SGHKXQXNKCFZGU-NRFANRHFSA-N 0 3 322.452 4.834 20 30 DJEDHN COc1cccc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922511 339616760 /nfs/dbraw/zinc/61/67/60/339616760.db2.gz PEOWVEBINYXVKP-QVKFZJNVSA-N 0 3 320.436 4.685 20 30 DJEDHN CC(C)(C)[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000484070715 339680365 /nfs/dbraw/zinc/68/03/65/339680365.db2.gz SUVKJQBDZOSKFI-GOSISDBHSA-N 0 3 314.379 4.713 20 30 DJEDHN N#Cc1ccc(CNC2(c3ccccc3)CCCCC2)cc1F ZINC000484099993 339680871 /nfs/dbraw/zinc/68/08/71/339680871.db2.gz VOKMTZIJHXXJKS-UHFFFAOYSA-N 0 3 308.400 4.647 20 30 DJEDHN Cc1cc(CN[C@@H](c2ccc(F)cc2)C2CCC2)ccc1C#N ZINC000488234803 339774149 /nfs/dbraw/zinc/77/41/49/339774149.db2.gz SCTBWVBVYJBZGG-HXUWFJFHSA-N 0 3 308.400 4.637 20 30 DJEDHN C=CCCCCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000489021462 339800133 /nfs/dbraw/zinc/80/01/33/339800133.db2.gz UNHQWPLQICHOLA-ZDUSSCGKSA-N 0 3 307.388 4.828 20 30 DJEDHN C=CCOc1cccc(CN[C@H](c2ccccc2C)C2CC2)c1 ZINC000489074812 339801467 /nfs/dbraw/zinc/80/14/67/339801467.db2.gz VYNWPRBFVDEEHT-NRFANRHFSA-N 0 3 307.437 4.801 20 30 DJEDHN C=CC[C@H](C)N[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795296 340023457 /nfs/dbraw/zinc/02/34/57/340023457.db2.gz OETJGYXSRAJKTA-BLLLJJGKSA-N 0 3 320.230 4.686 20 30 DJEDHN CC(C)OC[C@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450444 340059207 /nfs/dbraw/zinc/05/92/07/340059207.db2.gz GUUUTDVCCCSFMY-DLBZAZTESA-N 0 3 322.452 4.689 20 30 DJEDHN CC(C)OC[C@@H](C)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450445 340059262 /nfs/dbraw/zinc/05/92/62/340059262.db2.gz GUUUTDVCCCSFMY-IAGOWNOFSA-N 0 3 322.452 4.689 20 30 DJEDHN CC(C)OC[C@@H](C)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450447 340059320 /nfs/dbraw/zinc/05/93/20/340059320.db2.gz GUUUTDVCCCSFMY-SJORKVTESA-N 0 3 322.452 4.689 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000508616707 340248235 /nfs/dbraw/zinc/24/82/35/340248235.db2.gz VZZNDNMOKPDDBD-INIZCTEOSA-N 0 3 308.425 4.540 20 30 DJEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000508616708 340248274 /nfs/dbraw/zinc/24/82/74/340248274.db2.gz VZZNDNMOKPDDBD-MRXNPFEDSA-N 0 3 308.425 4.540 20 30 DJEDHN CCOc1cccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000508668122 340250086 /nfs/dbraw/zinc/25/00/86/340250086.db2.gz WPMYNKKDQMOYTA-INIZCTEOSA-N 0 3 308.425 4.540 20 30 DJEDHN C=C(C)CCN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000509030711 340258729 /nfs/dbraw/zinc/25/87/29/340258729.db2.gz JRRJIOMHJUDOSQ-UHFFFAOYSA-N 0 3 304.484 4.504 20 30 DJEDHN C=C(C)[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652300 340371165 /nfs/dbraw/zinc/37/11/65/340371165.db2.gz LKIPLUJXLMAFKF-ORAYPTAESA-N 0 3 317.379 4.508 20 30 DJEDHN N#Cc1ccc(CN2CCC(c3cccc4ccccc43)CC2)o1 ZINC000512710231 340373889 /nfs/dbraw/zinc/37/38/89/340373889.db2.gz PCZVUOPJMRWCFD-UHFFFAOYSA-N 0 3 316.404 4.684 20 30 DJEDHN CC(C)(C)N(Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000513028160 340389324 /nfs/dbraw/zinc/38/93/24/340389324.db2.gz WETIUCUEPVJLKJ-UHFFFAOYSA-N 0 3 302.418 4.560 20 30 DJEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)c2ccccc21 ZINC000191604685 340556410 /nfs/dbraw/zinc/55/64/10/340556410.db2.gz ONIZYKSRSGFAGZ-CYBMUJFWSA-N 0 3 323.827 4.554 20 30 DJEDHN CC(C)COc1ccc(C(C)(C)NCc2ccc(C#N)cc2)cc1 ZINC000236666513 340663577 /nfs/dbraw/zinc/66/35/77/340663577.db2.gz UHHGXSBKVHZDRT-UHFFFAOYSA-N 0 3 322.452 4.618 20 30 DJEDHN Cc1ccccc1[C@H](NCc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000538258861 340815381 /nfs/dbraw/zinc/81/53/81/340815381.db2.gz MSVSAJHOODUQCO-IBGZPJMESA-N 0 3 310.416 4.883 20 30 DJEDHN Cc1ccccc1[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000539608628 340892510 /nfs/dbraw/zinc/89/25/10/340892510.db2.gz VMISFAKDQKJACR-VBKZILBWSA-N 0 3 308.400 4.808 20 30 DJEDHN CC1(C)CC[C@H]2C[C@@H](NCc3cccc(C#N)c3)c3cccc1c32 ZINC000540689601 340941666 /nfs/dbraw/zinc/94/16/66/340941666.db2.gz ZWPBDIUCWWLJHB-FXAWDEMLSA-N 0 3 316.448 4.948 20 30 DJEDHN C[C@@H](NCCCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000542498522 341010624 /nfs/dbraw/zinc/01/06/24/341010624.db2.gz YAQXKXHVPZTLNQ-SECBINFHSA-N 0 3 324.268 4.679 20 30 DJEDHN C=CCCC[C@@H](C)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565306 341013906 /nfs/dbraw/zinc/01/39/06/341013906.db2.gz OVWLSGISKWCHIU-GHMZBOCLSA-N 0 3 306.397 4.947 20 30 DJEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945685 341026960 /nfs/dbraw/zinc/02/69/60/341026960.db2.gz XRHKUSLUSKMBJK-INIZCTEOSA-N 0 3 317.436 4.816 20 30 DJEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945688 341027023 /nfs/dbraw/zinc/02/70/23/341027023.db2.gz XRHKUSLUSKMBJK-MRXNPFEDSA-N 0 3 317.436 4.816 20 30 DJEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000543185372 341035905 /nfs/dbraw/zinc/03/59/05/341035905.db2.gz KTQKARDTPZBNJQ-ZDUSSCGKSA-N 0 3 318.342 4.622 20 30 DJEDHN CN(Cc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000544072194 341069321 /nfs/dbraw/zinc/06/93/21/341069321.db2.gz OVBCJRXQNSBDHA-UHFFFAOYSA-N 0 3 324.427 4.954 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@@H](CC(C)C)c1cccs1 ZINC000544448279 341082699 /nfs/dbraw/zinc/08/26/99/341082699.db2.gz RPNOLRNNUZDYOK-INIZCTEOSA-N 0 3 314.454 4.505 20 30 DJEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000544602701 341088309 /nfs/dbraw/zinc/08/83/09/341088309.db2.gz AVHSDMZXASAUEU-LBPRGKRZSA-N 0 3 302.780 4.510 20 30 DJEDHN Cc1cccc(C)c1[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000545465135 341126370 /nfs/dbraw/zinc/12/63/70/341126370.db2.gz MXTZKLGREDTNKV-SFHVURJKSA-N 0 3 322.452 4.837 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872194 341143713 /nfs/dbraw/zinc/14/37/13/341143713.db2.gz XBHHRJHUHAYABV-OWCLPIDISA-N 0 3 310.363 4.623 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000546165782 341155503 /nfs/dbraw/zinc/15/55/03/341155503.db2.gz DFQUDKNJAYXEKU-CABCVRRESA-N 0 3 322.427 4.988 20 30 DJEDHN CC[C@H](CC(F)(F)F)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000546178830 341156123 /nfs/dbraw/zinc/15/61/23/341156123.db2.gz MJBSVJVGEZVVFH-SECBINFHSA-N 0 3 317.248 4.665 20 30 DJEDHN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCSCC#N ZINC000074980965 341158675 /nfs/dbraw/zinc/15/86/75/341158675.db2.gz GXQKJBSVNWINCC-NSHDSACASA-N 0 3 317.285 4.633 20 30 DJEDHN Cc1cccc(C)c1[C@@H](C)NCc1ccccc1C(C)(C)C#N ZINC000546930921 341187007 /nfs/dbraw/zinc/18/70/07/341187007.db2.gz HYUGKFZVJDLKJB-QGZVFWFLSA-N 0 3 306.453 4.955 20 30 DJEDHN CC[C@@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000546972314 341189298 /nfs/dbraw/zinc/18/92/98/341189298.db2.gz AKIWBNXAQDUSCA-JTQLQIEISA-N 0 3 317.248 4.665 20 30 DJEDHN CC(C)[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000135107390 341231044 /nfs/dbraw/zinc/23/10/44/341231044.db2.gz YZAYPLUXDOXCAD-HXUWFJFHSA-N 0 3 306.453 4.975 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536579 341296868 /nfs/dbraw/zinc/29/68/68/341296868.db2.gz SKSHSLNJNURKCD-MDOVXXIYSA-N 0 3 308.400 4.836 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544957 341297079 /nfs/dbraw/zinc/29/70/79/341297079.db2.gz RUYZSPHXEZZCAV-LUQKVYGDSA-N 0 3 315.420 4.568 20 30 DJEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000551760524 341350588 /nfs/dbraw/zinc/35/05/88/341350588.db2.gz GUVKWNQMNMLMNG-INIZCTEOSA-N 0 3 322.433 4.716 20 30 DJEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCCC2 ZINC000551805736 341352399 /nfs/dbraw/zinc/35/23/99/341352399.db2.gz YFPAKODCOJCPCL-AWEZNQCLSA-N 0 3 322.477 4.838 20 30 DJEDHN CCc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000552969983 341411168 /nfs/dbraw/zinc/41/11/68/341411168.db2.gz BEIUVPGVTBIFRG-YCRPNKLZSA-N 0 3 304.437 4.849 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000555527589 341484176 /nfs/dbraw/zinc/48/41/76/341484176.db2.gz HTCSSFTWRLHNOI-TZMCWYRMSA-N 0 3 323.267 4.865 20 30 DJEDHN CCC[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000152978478 341514925 /nfs/dbraw/zinc/51/49/25/341514925.db2.gz VFRNBMPSARJKIL-INIZCTEOSA-N 0 3 304.846 4.904 20 30 DJEDHN C[C@H]1C[C@H](NCc2ccc(CC#N)cc2)c2ccsc2S1 ZINC000577220083 341898157 /nfs/dbraw/zinc/89/81/57/341898157.db2.gz DFYOSXHYAGFPTM-LRDDRELGSA-N 0 3 314.479 4.529 20 30 DJEDHN CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000078968503 185137406 /nfs/dbraw/zinc/13/74/06/185137406.db2.gz UJAVHPTXOYSZOK-JKSUJKDBSA-N 0 3 308.425 4.757 20 30 DJEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccccc2)ccc1OC ZINC000057959007 334952969 /nfs/dbraw/zinc/95/29/69/334952969.db2.gz VFUFWRWXKVEWRB-INIZCTEOSA-N 0 3 311.425 4.501 20 30 DJEDHN C=CCC[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284440658 335012867 /nfs/dbraw/zinc/01/28/67/335012867.db2.gz STRSFRKYAHOJPS-GOSISDBHSA-N 0 3 309.457 4.571 20 30 DJEDHN C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000173919717 332841065 /nfs/dbraw/zinc/84/10/65/332841065.db2.gz JYRIIZIWBAFKEQ-NSHDSACASA-N 0 3 322.305 4.567 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3sc(Cl)cc31)CC2 ZINC000564428273 331741216 /nfs/dbraw/zinc/74/12/16/331741216.db2.gz REXUZDGQSAUVIC-GJZGRUSLSA-N 0 3 314.841 4.538 20 30 DJEDHN CCCOc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000557518323 331796803 /nfs/dbraw/zinc/79/68/03/331796803.db2.gz ZQOLFQFNNVFLTG-NRFANRHFSA-N 0 3 320.436 4.514 20 30 DJEDHN C=CCC[C@@H](NCc1c(C)cc(C)nc1OC)c1ccccc1 ZINC000558091347 331865358 /nfs/dbraw/zinc/86/53/58/331865358.db2.gz BJGVKYKMEJEWDM-LJQANCHMSA-N 0 3 310.441 4.504 20 30 DJEDHN CC(C)Sc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000558741024 331940566 /nfs/dbraw/zinc/94/05/66/331940566.db2.gz HHZYLAVHTCGWIU-HNNXBMFYSA-N 0 3 310.466 4.910 20 30 DJEDHN CCN(Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000518595919 332089714 /nfs/dbraw/zinc/08/97/14/332089714.db2.gz FTPYQKKSFSGVGR-UHFFFAOYSA-N 0 3 300.405 4.734 20 30 DJEDHN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664947 332091969 /nfs/dbraw/zinc/09/19/69/332091969.db2.gz LOQQGWCBJUUJHL-PMACEKPBSA-N 0 3 320.436 4.707 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CCO[C@H](C(CC)CC)C1)c1ccco1 ZINC000560550017 332358262 /nfs/dbraw/zinc/35/82/62/332358262.db2.gz SUUQPFHXQBCMRL-AOIWGVFYSA-N 0 3 305.462 4.860 20 30 DJEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000561139929 332416229 /nfs/dbraw/zinc/41/62/29/332416229.db2.gz HUSWCEHDHFUWDO-DJJJIMSYSA-N 0 3 310.828 4.940 20 30 DJEDHN C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)S1 ZINC000562469139 332595853 /nfs/dbraw/zinc/59/58/53/332595853.db2.gz NRYGZQCNLAKJMY-HZPDHXFCSA-N 0 3 322.477 4.551 20 30 DJEDHN C[C@@H](N[C@@H](C)Cc1ccsc1)c1ccc(C#N)cc1Cl ZINC000570235635 332728866 /nfs/dbraw/zinc/72/88/66/332728866.db2.gz LIOBDEUFTHICLX-NWDGAFQWSA-N 0 3 304.846 4.555 20 30 DJEDHN COc1cc(CN[C@H](C)c2cccc3ccccc32)ccc1C#N ZINC000570322630 332738995 /nfs/dbraw/zinc/73/89/95/332738995.db2.gz FGSRHVVLGCSFCC-OAHLLOKOSA-N 0 3 316.404 4.571 20 30 DJEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000174808867 333091037 /nfs/dbraw/zinc/09/10/37/333091037.db2.gz PNOBKIQYQBWPOT-HNNXBMFYSA-N 0 3 313.470 4.763 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541086 333162894 /nfs/dbraw/zinc/16/28/94/333162894.db2.gz HDXQMASGJWAJAX-VWKPWSFCSA-N 0 3 320.436 4.878 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541049 333162964 /nfs/dbraw/zinc/16/29/64/333162964.db2.gz HDXQMASGJWAJAX-XFQAVAEZSA-N 0 3 320.436 4.878 20 30 DJEDHN N#CCC1(CN[C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000430736696 335128069 /nfs/dbraw/zinc/12/80/69/335128069.db2.gz FKYYKBRBPZOWGU-HXUWFJFHSA-N 0 3 304.437 4.644 20 30 DJEDHN N#CCC1(CN[C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000430736694 335128132 /nfs/dbraw/zinc/12/81/32/335128132.db2.gz FKYYKBRBPZOWGU-FQEVSTJZSA-N 0 3 304.437 4.644 20 30 DJEDHN C=CCOc1ccccc1CN[C@@H](CC)c1ccc(OC)cc1 ZINC000319738125 333401541 /nfs/dbraw/zinc/40/15/41/333401541.db2.gz HRJMPPWQVAQFNQ-IBGZPJMESA-N 0 3 311.425 4.501 20 30 DJEDHN CC(C)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000571129180 333666540 /nfs/dbraw/zinc/66/65/40/333666540.db2.gz GQLLBSPCNVNGAR-WOJBJXKFSA-N 0 3 308.400 4.672 20 30 DJEDHN N#CCOc1ccc(CN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000271817129 334027137 /nfs/dbraw/zinc/02/71/37/334027137.db2.gz BRGKLWSHMBUXSM-OAQYLSRUSA-N 0 3 320.436 4.610 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274629040 334064395 /nfs/dbraw/zinc/06/43/95/334064395.db2.gz OMLMQHMZOWETFJ-TXPKVOOTSA-N 0 3 320.436 4.705 20 30 DJEDHN C[C@H](NCCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000279005261 334104619 /nfs/dbraw/zinc/10/46/19/334104619.db2.gz UIBJRMGPYRZNFF-JTQLQIEISA-N 0 3 319.396 4.533 20 30 DJEDHN N#CCCC[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430889 334199213 /nfs/dbraw/zinc/19/92/13/334199213.db2.gz HZIBBCHFGZUBGN-WOJBJXKFSA-N 0 3 320.436 4.794 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445978 334203503 /nfs/dbraw/zinc/20/35/03/334203503.db2.gz MLFNHMZNYVZXKZ-HNAYVOBHSA-N 0 3 323.396 4.681 20 30 DJEDHN COc1ccsc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340451824 334205946 /nfs/dbraw/zinc/20/59/46/334205946.db2.gz OYLBKPXEUMHJBN-GOEBONIOSA-N 0 3 314.454 4.842 20 30 DJEDHN COc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340454925 334207261 /nfs/dbraw/zinc/20/72/61/334207261.db2.gz TUYATOQSSNYZTI-UZLBHIALSA-N 0 3 308.425 4.781 20 30 DJEDHN CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951131 334309180 /nfs/dbraw/zinc/30/91/80/334309180.db2.gz AKORUZJWAQFLBJ-YWZLYKJASA-N 0 3 308.425 4.759 20 30 DJEDHN CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341711657 334472995 /nfs/dbraw/zinc/47/29/95/334472995.db2.gz PHITWCBBZREDEA-UXHICEINSA-N 0 3 308.400 4.816 20 30 DJEDHN CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 ZINC000341759117 334477657 /nfs/dbraw/zinc/47/76/57/334477657.db2.gz DMTCTBIONMIAKK-RTWAWAEBSA-N 0 3 304.437 4.985 20 30 DJEDHN CC(C)Oc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341762967 334478501 /nfs/dbraw/zinc/47/85/01/334478501.db2.gz WLMOCSCOEOAAKJ-HXUWFJFHSA-N 0 3 320.436 4.513 20 30 DJEDHN CC(C)C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000341878900 334489058 /nfs/dbraw/zinc/48/90/58/334489058.db2.gz SQALGTHIZVRNHM-TZIWHRDSSA-N 0 3 319.452 4.708 20 30 DJEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC000417376896 334765551 /nfs/dbraw/zinc/76/55/51/334765551.db2.gz CQGXEOWGNSIHNJ-HXPMCKFVSA-N 0 3 312.363 4.565 20 30 DJEDHN CCCCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000324825633 336260898 /nfs/dbraw/zinc/26/08/98/336260898.db2.gz AUOUKNTZTRDDDI-KRWDZBQOSA-N 0 3 322.452 4.978 20 30 DJEDHN C=CCC[C@@H](NCc1[nH]ncc1C)c1ccc(C(F)(F)F)cc1 ZINC000352829237 336267271 /nfs/dbraw/zinc/26/72/71/336267271.db2.gz FYDAKOODLRWHLG-OAHLLOKOSA-N 0 3 323.362 4.534 20 30 DJEDHN COc1ccc(C)cc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353903035 336447132 /nfs/dbraw/zinc/44/71/32/336447132.db2.gz VGPXUNWCYFTKRG-IBGZPJMESA-N 0 3 308.425 4.528 20 30 DJEDHN N#CCCC[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000353911424 336447524 /nfs/dbraw/zinc/44/75/24/336447524.db2.gz BYYDVZCKYXXFHC-INIZCTEOSA-N 0 3 304.846 4.926 20 30 DJEDHN CC(C)Oc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000353913224 336447733 /nfs/dbraw/zinc/44/77/33/336447733.db2.gz HVFVJXSPLFDZQS-OAQYLSRUSA-N 0 3 322.452 4.999 20 30 DJEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418144723 336896803 /nfs/dbraw/zinc/89/68/03/336896803.db2.gz UZLKSCUQPCWMIO-ZBFHGGJFSA-N 0 3 322.374 4.625 20 30 DJEDHN N#CC1(CN[C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418144722 336896813 /nfs/dbraw/zinc/89/68/13/336896813.db2.gz UZLKSCUQPCWMIO-HOCLYGCPSA-N 0 3 322.374 4.625 20 30 DJEDHN CSc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418145247 336896825 /nfs/dbraw/zinc/89/68/25/336896825.db2.gz MTCDMRUODIGXGL-MRXNPFEDSA-N 0 3 314.479 4.509 20 30 DJEDHN CC(C)(CCC#N)CNCc1cc(Cl)ccc1OCC1CC1 ZINC000582443393 337001089 /nfs/dbraw/zinc/00/10/89/337001089.db2.gz LUWJUJWVUJYBSM-UHFFFAOYSA-N 0 3 320.864 4.548 20 30 DJEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-c2cccnc2)cc1 ZINC000176981436 337153963 /nfs/dbraw/zinc/15/39/63/337153963.db2.gz DGRUMNMIUVUMJR-AWEZNQCLSA-N 0 3 319.433 4.533 20 30 DJEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCCC3)n1 ZINC000177751013 337157272 /nfs/dbraw/zinc/15/72/72/337157272.db2.gz XZTBYAYATOIFNJ-INIZCTEOSA-N 0 3 324.449 4.635 20 30 DJEDHN CCc1cccc2c1OCC[C@H]2N[C@@H](CC)c1ccc(C#N)cc1 ZINC000584569788 337363595 /nfs/dbraw/zinc/36/35/95/337363595.db2.gz UHZBVOUTISORQQ-VQTJNVASSA-N 0 3 320.436 4.685 20 30 DJEDHN Cc1ccccc1[C@@H](CC(C)C)NCc1ccc(F)c(C#N)c1 ZINC000537058992 337883150 /nfs/dbraw/zinc/88/31/50/337883150.db2.gz IQMMBUCULISWRJ-HXUWFJFHSA-N 0 3 310.416 4.883 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000514741914 337969870 /nfs/dbraw/zinc/96/98/70/337969870.db2.gz VXBFXHNYUINQEV-BZUAXINKSA-N 0 3 310.363 4.623 20 30 DJEDHN C=CC[C@H](C)[C@@H](C)NCc1nc(-c2ccccc2F)cs1 ZINC000428440180 338051510 /nfs/dbraw/zinc/05/15/10/338051510.db2.gz RVOWCPVQMLEBJE-QWHCGFSZSA-N 0 3 304.434 4.640 20 30 DJEDHN CCn1c2ccccc2c2cc(CNCC3(CC#N)CC3)ccc21 ZINC000430006789 338093271 /nfs/dbraw/zinc/09/32/71/338093271.db2.gz QEOQHMINIOMDKN-UHFFFAOYSA-N 0 3 317.436 4.598 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(OCc2ccccc2)c1 ZINC000430749003 338113454 /nfs/dbraw/zinc/11/34/54/338113454.db2.gz HISDVYRKPFFHMQ-KRWDZBQOSA-N 0 3 320.436 4.610 20 30 DJEDHN Cc1ccc(C)c(CN(C)Cc2cccc(OCCCC#N)c2)c1 ZINC000432893002 338172093 /nfs/dbraw/zinc/17/20/93/338172093.db2.gz XNAPLMMMJMVAMB-UHFFFAOYSA-N 0 3 322.452 4.618 20 30 DJEDHN COc1cc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)ccc1C#N ZINC000440608713 338392230 /nfs/dbraw/zinc/39/22/30/338392230.db2.gz FGUWSDJFWNLLIY-FQEVSTJZSA-N 0 3 322.452 4.752 20 30 DJEDHN COc1cc(CN[C@@H]2C[C@H](C(C)C)c3ccccc32)ccc1C#N ZINC000441384429 338411305 /nfs/dbraw/zinc/41/13/05/338411305.db2.gz YBCDFEGSQXJQET-WOJBJXKFSA-N 0 3 320.436 4.541 20 30 DJEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000442085563 338420883 /nfs/dbraw/zinc/42/08/83/338420883.db2.gz OBGVXRRRWHZCOX-PNESKVBLSA-N 0 3 311.256 4.974 20 30 DJEDHN CC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000447509614 338553202 /nfs/dbraw/zinc/55/32/02/338553202.db2.gz GHGXTCQVCYBMFG-QGZVFWFLSA-N 0 3 318.342 4.818 20 30 DJEDHN CC[C@@H](NCc1ccccc1OCC(C)C)c1ccc(C#N)cc1 ZINC000447538033 338555150 /nfs/dbraw/zinc/55/51/50/338555150.db2.gz AKAZHWMLDBHUSX-HXUWFJFHSA-N 0 3 322.452 4.834 20 30 DJEDHN CC[C@@H](NCc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000447540138 338555523 /nfs/dbraw/zinc/55/55/23/338555523.db2.gz IJXBXUIVTVDSQX-OAQYLSRUSA-N 0 3 300.405 4.952 20 30 DJEDHN CC[C@@H](NC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000447580323 338558666 /nfs/dbraw/zinc/55/86/66/338558666.db2.gz NVZKSXIVQIMBHG-GOSISDBHSA-N 0 3 310.828 4.942 20 30 DJEDHN N#C[C@H]1CCC[C@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000447584431 338559234 /nfs/dbraw/zinc/55/92/34/338559234.db2.gz GAIXWPZZCMQNMJ-BBRMVZONSA-N 0 3 322.374 4.757 20 30 DJEDHN C=CCC1(NCc2csc(-c3ccccn3)n2)CCCCC1 ZINC000449578015 338639667 /nfs/dbraw/zinc/63/96/67/338639667.db2.gz YRNRKGBJYOWHOZ-UHFFFAOYSA-N 0 3 313.470 4.574 20 30 DJEDHN C=CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000453182840 338803872 /nfs/dbraw/zinc/80/38/72/338803872.db2.gz XTLTWFXHQDUVIS-MLGOLLRUSA-N 0 3 323.362 4.787 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000195614529 338910250 /nfs/dbraw/zinc/91/02/50/338910250.db2.gz PCKCOAIRWLITCQ-RDTXWAMCSA-N 0 3 308.425 4.824 20 30 DJEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(C2CCCCC2)cc1 ZINC000462029143 339071011 /nfs/dbraw/zinc/07/10/11/339071011.db2.gz HGLYOCCMKUQWOX-BEFAXECRSA-N 0 3 312.457 4.707 20 30 DJEDHN C=CC[C@H](CC)N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805807 339090083 /nfs/dbraw/zinc/09/00/83/339090083.db2.gz IOKWCFSFBSZGLC-OLZOCXBDSA-N 0 3 304.434 4.955 20 30 DJEDHN CC(N[C@H]1CCC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245442 339111730 /nfs/dbraw/zinc/11/17/30/339111730.db2.gz CHBVPGVTTYQQLH-PXNSSMCTSA-N 0 3 304.437 4.622 20 30 DJEDHN CC(C)(C)CN(CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000468409774 339262242 /nfs/dbraw/zinc/26/22/42/339262242.db2.gz VOYMVILSMYTXDM-UHFFFAOYSA-N 0 3 304.400 4.617 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476281 339263760 /nfs/dbraw/zinc/26/37/60/339263760.db2.gz SBTLPHXCZLXPSG-DVOMOZLQSA-N 0 3 311.256 4.911 20 30 DJEDHN Cc1cccc(C(N[C@H]2CC[C@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597779 339348835 /nfs/dbraw/zinc/34/88/35/339348835.db2.gz HGYUOQLEMSHBFC-PXNSSMCTSA-N 0 3 304.437 4.675 20 30 DJEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)N[C@@H]1CC[C@H](C#N)C1 ZINC000471599457 339348944 /nfs/dbraw/zinc/34/89/44/339348944.db2.gz SJDVKEZYCUEKHL-LXZKKBNFSA-N 0 3 320.864 4.718 20 30 DJEDHN CCOc1ccccc1C1=CCN(CCCC(C)(C)C#N)CC1 ZINC000472242886 339367372 /nfs/dbraw/zinc/36/73/72/339367372.db2.gz TYXWASPYMSJORI-UHFFFAOYSA-N 0 3 312.457 4.504 20 30 DJEDHN C=C(C)[C@H](NC[C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417807 339534063 /nfs/dbraw/zinc/53/40/63/339534063.db2.gz GFODBTOPUOSACV-LIRRHRJNSA-N 0 3 323.427 4.624 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2cc(F)ccc21 ZINC000481649518 339608754 /nfs/dbraw/zinc/60/87/54/339608754.db2.gz FUDLGOKLAXDXSZ-RTWAWAEBSA-N 0 3 320.411 4.742 20 30 DJEDHN Cc1ccccc1[C@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000484059338 339680319 /nfs/dbraw/zinc/68/03/19/339680319.db2.gz PPOZYACNMMCNOR-IBGZPJMESA-N 0 3 310.416 4.883 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000484087056 339680766 /nfs/dbraw/zinc/68/07/66/339680766.db2.gz YPPFILNREMTMTC-SFHVURJKSA-N 0 3 314.379 4.713 20 30 DJEDHN C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1cccc(C#N)c1 ZINC000498798667 340023418 /nfs/dbraw/zinc/02/34/18/340023418.db2.gz ZBRHGXZBBZNWIO-LBPRGKRZSA-N 0 3 302.780 4.544 20 30 DJEDHN Cc1cc(CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N ZINC000500431483 340058439 /nfs/dbraw/zinc/05/84/39/340058439.db2.gz XTWOXBJOWLABQT-IFXJQAMLSA-N 0 3 310.828 4.545 20 30 DJEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1C(F)(F)F ZINC000507255104 340215844 /nfs/dbraw/zinc/21/58/44/340215844.db2.gz YNZZTNGYJBBPNG-CYBMUJFWSA-N 0 3 318.342 4.770 20 30 DJEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2cccs2)cc1OC ZINC000507433505 340219388 /nfs/dbraw/zinc/21/93/88/340219388.db2.gz LVWXBQMNBLJMBK-AWEZNQCLSA-N 0 3 317.454 4.515 20 30 DJEDHN CC1(C#N)CCN(Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000507717295 340229390 /nfs/dbraw/zinc/22/93/90/340229390.db2.gz WOTWBXFYABNSQM-UHFFFAOYSA-N 0 3 314.429 4.680 20 30 DJEDHN C=CCN(Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000508529762 340245928 /nfs/dbraw/zinc/24/59/28/340245928.db2.gz DCFCVSMBIXJBCD-UHFFFAOYSA-N 0 3 320.436 4.557 20 30 DJEDHN N#Cc1ccc(CN2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000511762201 340337441 /nfs/dbraw/zinc/33/74/41/340337441.db2.gz KREVMRALDWXKLS-HXUWFJFHSA-N 0 3 302.377 4.642 20 30 DJEDHN N#Cc1cccc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000237797454 340674112 /nfs/dbraw/zinc/67/41/12/340674112.db2.gz NKMIMCGVJQDRRR-LJQANCHMSA-N 0 3 310.828 4.843 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000036991801 340729371 /nfs/dbraw/zinc/72/93/71/340729371.db2.gz CEBDSASUVWPUMX-NWDGAFQWSA-N 0 3 302.780 4.763 20 30 DJEDHN CN(Cc1ccc(CC#N)cc1)Cc1cccc2ccccc21 ZINC000542210176 341000168 /nfs/dbraw/zinc/00/01/68/341000168.db2.gz QVNDTIINVMBOFM-UHFFFAOYSA-N 0 3 300.405 4.538 20 30 DJEDHN CCc1ccc([C@H](NCc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000542281939 341003533 /nfs/dbraw/zinc/00/35/33/341003533.db2.gz JJXWHGYAGBEFKV-OAQYLSRUSA-N 0 3 306.453 4.802 20 30 DJEDHN N#CCCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000543238224 341037577 /nfs/dbraw/zinc/03/75/77/341037577.db2.gz IKJYUGOQLSGKIJ-UHFFFAOYSA-N 0 3 309.196 4.647 20 30 DJEDHN N#CCCCN[C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000544384898 341079580 /nfs/dbraw/zinc/07/95/80/341079580.db2.gz GOBPWKWEUOBZFY-GOSISDBHSA-N 0 3 316.807 4.656 20 30 DJEDHN C[C@H](c1ccc(Cl)cc1Cl)N(C)CCCSCC#N ZINC000074980966 341158589 /nfs/dbraw/zinc/15/85/89/341158589.db2.gz GXQKJBSVNWINCC-LLVKDONJSA-N 0 3 317.285 4.633 20 30 DJEDHN Cc1cccc(C)c1[C@H](C)NCc1ccccc1C(C)(C)C#N ZINC000546930913 341187158 /nfs/dbraw/zinc/18/71/58/341187158.db2.gz HYUGKFZVJDLKJB-KRWDZBQOSA-N 0 3 306.453 4.955 20 30 DJEDHN N#Cc1csc(CNC2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000237659621 341217667 /nfs/dbraw/zinc/21/76/67/341217667.db2.gz DPHGPCYJAWYMNK-UHFFFAOYSA-N 0 3 316.857 4.832 20 30 DJEDHN CC(C)[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000135107374 341231085 /nfs/dbraw/zinc/23/10/85/341231085.db2.gz YZAYPLUXDOXCAD-FQEVSTJZSA-N 0 3 306.453 4.975 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973421 341250969 /nfs/dbraw/zinc/25/09/69/341250969.db2.gz BYUZEEHXYUNOMJ-OLZOCXBDSA-N 0 3 318.342 4.989 20 30 DJEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000136221684 341255096 /nfs/dbraw/zinc/25/50/96/341255096.db2.gz JVAFCZFVGYXSKL-LLVKDONJSA-N 0 3 322.305 4.567 20 30 DJEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc2ccccc21 ZINC000136232035 341255435 /nfs/dbraw/zinc/25/54/35/341255435.db2.gz VVMDZWLBVFQNDX-AWEZNQCLSA-N 0 3 304.368 4.701 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535960 341296863 /nfs/dbraw/zinc/29/68/63/341296863.db2.gz MUVUCOLQOPJPNF-XYJFISCASA-N 0 3 306.409 4.822 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927606 341306999 /nfs/dbraw/zinc/30/69/99/341306999.db2.gz BRDDCENVGXIKMV-ZMSDIMECSA-N 0 3 324.399 4.961 20 30 DJEDHN C[C@@H](NCc1cc2ccccc2s1)c1ccc(C#N)c(F)c1 ZINC000550857020 341324702 /nfs/dbraw/zinc/32/47/02/341324702.db2.gz MFYFVSWQNDBIHM-GFCCVEGCSA-N 0 3 310.397 4.763 20 30 DJEDHN C[C@H](NCc1cc2ccccc2s1)c1ccc(C#N)c(F)c1 ZINC000550857025 341324718 /nfs/dbraw/zinc/32/47/18/341324718.db2.gz MFYFVSWQNDBIHM-LBPRGKRZSA-N 0 3 310.397 4.763 20 30 DJEDHN C=CCC[C@@H](NCCc1cc(C(F)(F)F)ccn1)c1ccco1 ZINC000550882425 341325351 /nfs/dbraw/zinc/32/53/51/341325351.db2.gz NJUSQBDYGVRSES-OAHLLOKOSA-N 0 3 324.346 4.533 20 30 DJEDHN CC(C)Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000551580921 341346389 /nfs/dbraw/zinc/34/63/89/341346389.db2.gz JERQWQDEJXWIHB-UHFFFAOYSA-N 0 3 304.437 4.536 20 30 DJEDHN Cc1cc(Cl)cc(C)c1CNC1(c2cccc(C#N)c2)CC1 ZINC000551835320 341353403 /nfs/dbraw/zinc/35/34/03/341353403.db2.gz QMGNOCCXMZOJDH-UHFFFAOYSA-N 0 3 310.828 4.607 20 30 DJEDHN N#CCCC[C@H](NCc1ccnc2ccccc12)c1ccccc1 ZINC000552083376 341368062 /nfs/dbraw/zinc/36/80/62/341368062.db2.gz AWOZKVXFQOXPSL-FQEVSTJZSA-N 0 3 315.420 4.760 20 30 DJEDHN CCc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000552969982 341411181 /nfs/dbraw/zinc/41/11/81/341411181.db2.gz BEIUVPGVTBIFRG-VFNWGFHPSA-N 0 3 304.437 4.849 20 30 DJEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 ZINC000564493938 341502631 /nfs/dbraw/zinc/50/26/31/341502631.db2.gz BXSPKGWRORVCBS-SCLBCKFNSA-N 0 3 302.377 4.643 20 30 DJEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000565546527 341530621 /nfs/dbraw/zinc/53/06/21/341530621.db2.gz YDLAPNJLFBLGMQ-FOIQADDNSA-N 0 3 320.436 4.604 20 30 DJEDHN CC(C)c1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000566416150 341557110 /nfs/dbraw/zinc/55/71/10/341557110.db2.gz NSLRALVVWWRUMC-FQEVSTJZSA-N 0 3 307.441 4.564 20 30 DJEDHN C[C@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C#N)cc1 ZINC000289160163 341606207 /nfs/dbraw/zinc/60/62/07/341606207.db2.gz GYBGKYVXPKCKIH-VBKZILBWSA-N 0 3 315.420 4.768 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000336865181 341808934 /nfs/dbraw/zinc/80/89/34/341808934.db2.gz UZDCCUYPLKKMJW-KDOFPFPSSA-N 0 3 308.425 4.824 20 30 DJEDHN CC(C)(C#N)CCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000174855575 341832312 /nfs/dbraw/zinc/83/23/12/341832312.db2.gz NGDPYYPAGPOOPH-LJQANCHMSA-N 0 3 310.416 4.835 20 30 DJEDHN N#Cc1csc(CN[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000177681242 341923580 /nfs/dbraw/zinc/92/35/80/341923580.db2.gz AMZZOKXIQGVDAH-INIZCTEOSA-N 0 3 302.830 4.514 20 30 DJEDHN N#Cc1csc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000177692283 341924026 /nfs/dbraw/zinc/92/40/26/341924026.db2.gz QDMLFOYNUMZRHB-GOSISDBHSA-N 0 3 314.429 4.780 20 30 DJEDHN N#Cc1csc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000177697246 341924345 /nfs/dbraw/zinc/92/43/45/341924345.db2.gz AJCCQXHSNDGENZ-QGZVFWFLSA-N 0 3 316.857 4.904 20 30 DJEDHN CC(C)(C)[C@@H](NCc1cc(C#N)cs1)c1cccc(F)c1 ZINC000178614482 341959921 /nfs/dbraw/zinc/95/99/21/341959921.db2.gz ZNGAXQASHCXULZ-INIZCTEOSA-N 0 3 302.418 4.636 20 30 DJEDHN N#Cc1cc(CN[C@H](c2ccc(Cl)cc2)C2CC2)ccc1F ZINC000176802979 518196549 /nfs/dbraw/zinc/19/65/49/518196549.db2.gz OLRTUTMBMYIJID-SFHVURJKSA-N 0 3 314.791 4.592 20 30 DJEDHN CC[C@H](NCc1ccc2[nH]c(C)cc2c1)c1ccc(C#N)cc1 ZINC000285684020 535918481 /nfs/dbraw/zinc/91/84/81/535918481.db2.gz NTMZDZOPUGMWIO-IBGZPJMESA-N 0 3 303.409 4.589 20 30 DJEDHN COc1ccc2cc([C@@H](C)NCc3ccc(C#N)s3)ccc2c1 ZINC000557757109 331813794 /nfs/dbraw/zinc/81/37/94/331813794.db2.gz YRNURGAJLOXFOP-CYBMUJFWSA-N 0 3 322.433 4.632 20 30 DJEDHN N#CCCC1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000584173269 331853300 /nfs/dbraw/zinc/85/33/00/331853300.db2.gz IDCCSPBLHAHIGM-UHFFFAOYSA-N 0 3 312.457 4.524 20 30 DJEDHN CCN(Cc1cnc2ccccc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000410333565 332113447 /nfs/dbraw/zinc/11/34/47/332113447.db2.gz SUSYALYXXVGNEE-MRXNPFEDSA-N 0 3 315.420 4.690 20 30 DJEDHN CCN(Cc1cnc2ccccc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000410333564 332113618 /nfs/dbraw/zinc/11/36/18/332113618.db2.gz SUSYALYXXVGNEE-INIZCTEOSA-N 0 3 315.420 4.690 20 30 DJEDHN CCc1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000236956972 332254321 /nfs/dbraw/zinc/25/43/21/332254321.db2.gz BUJOTUFBUZGTNT-QGZVFWFLSA-N 0 3 322.452 4.782 20 30 DJEDHN N#CC1(CN[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000560177204 332317012 /nfs/dbraw/zinc/31/70/12/332317012.db2.gz UTTZKJKFZUOLKN-SJORKVTESA-N 0 3 302.849 4.650 20 30 DJEDHN N#Cc1cccc(C2(N[C@@H]3CCCc4c(Cl)cccc43)CC2)c1 ZINC000560265672 332326423 /nfs/dbraw/zinc/32/64/23/332326423.db2.gz PWJXFOONBLTANE-LJQANCHMSA-N 0 3 322.839 4.868 20 30 DJEDHN C=CCC[C@H](NCCc1nc(C(C)(C)C)cs1)c1ccco1 ZINC000560530586 332352437 /nfs/dbraw/zinc/35/24/37/332352437.db2.gz RYMBCCMDMOXPBV-AWEZNQCLSA-N 0 3 318.486 4.873 20 30 DJEDHN C=CCOc1ccc(CN[C@H]2CCCOc3cc(C)ccc32)cc1 ZINC000560569726 332360439 /nfs/dbraw/zinc/36/04/39/332360439.db2.gz IOZPNFLYBKEMAF-FQEVSTJZSA-N 0 3 323.436 4.563 20 30 DJEDHN C=CCOc1ccc(CN[C@@H]2CCCOc3cc(C)ccc32)cc1 ZINC000560569727 332360632 /nfs/dbraw/zinc/36/06/32/332360632.db2.gz IOZPNFLYBKEMAF-HXUWFJFHSA-N 0 3 323.436 4.563 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2c1cccc2Cl ZINC000561132732 332415058 /nfs/dbraw/zinc/41/50/58/332415058.db2.gz SFWCXIVKHPTHDR-WOJBJXKFSA-N 0 3 322.839 4.866 20 30 DJEDHN C=CCOc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000393381300 332419446 /nfs/dbraw/zinc/41/94/46/332419446.db2.gz JLWBDDKNBVPRMV-UHFFFAOYSA-N 0 3 321.342 4.560 20 30 DJEDHN CC[C@@H](C)c1ccc([C@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000569822848 332683126 /nfs/dbraw/zinc/68/31/26/332683126.db2.gz VPUINAPZZXSMOJ-IIBYNOLFSA-N 0 3 321.468 4.954 20 30 DJEDHN C[C@H](c1nc2ccccc2s1)N(C)CCCC(C)(C)C#N ZINC000174811280 333091022 /nfs/dbraw/zinc/09/10/22/333091022.db2.gz RDYZFYYQTIPIEX-CYBMUJFWSA-N 0 3 301.459 4.619 20 30 DJEDHN C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180539005 333162834 /nfs/dbraw/zinc/16/28/34/333162834.db2.gz VATIFZMHBUZXML-YWZLYKJASA-N 0 3 320.436 4.662 20 30 DJEDHN C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000181638481 333170975 /nfs/dbraw/zinc/17/09/75/333170975.db2.gz UMXYMBFTPVCQQL-ZDUSSCGKSA-N 0 3 314.379 4.617 20 30 DJEDHN CCOc1ccccc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497619287 333270499 /nfs/dbraw/zinc/27/04/99/333270499.db2.gz RSJYWVFZZSUVHB-INIZCTEOSA-N 0 3 308.425 4.540 20 30 DJEDHN CCN(Cc1cc(Cl)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000495061537 333351995 /nfs/dbraw/zinc/35/19/95/333351995.db2.gz TWFXNBGLHJLVGV-LBPRGKRZSA-N 0 3 304.846 4.856 20 30 DJEDHN CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000571129178 333666459 /nfs/dbraw/zinc/66/64/59/333666459.db2.gz GQLLBSPCNVNGAR-UXHICEINSA-N 0 3 308.400 4.672 20 30 DJEDHN CSc1ccc2c(c1)[C@@H](NCc1ccc(C#N)s1)CCC2 ZINC000571326875 333743600 /nfs/dbraw/zinc/74/36/00/333743600.db2.gz MKOMDDMQTZEBPR-KRWDZBQOSA-N 0 3 314.479 4.509 20 30 DJEDHN C[C@H](NCC(C)(C)CCC#N)c1csc(-c2ccccc2)n1 ZINC000414172757 333907971 /nfs/dbraw/zinc/90/79/71/333907971.db2.gz YRMPMRCKABPERL-AWEZNQCLSA-N 0 3 313.470 4.791 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271861000 334027768 /nfs/dbraw/zinc/02/77/68/334027768.db2.gz KJJWXACXRWHIQF-KKSFZXQISA-N 0 3 320.436 4.699 20 30 DJEDHN Cc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456793 334046759 /nfs/dbraw/zinc/04/67/59/334046759.db2.gz HHOVUGGBTKSCKF-APWZRJJASA-N 0 3 308.425 4.705 20 30 DJEDHN C[C@H](NCCCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000278940742 334103975 /nfs/dbraw/zinc/10/39/75/334103975.db2.gz YBBKWRPGAKTCKV-HNNXBMFYSA-N 0 3 311.429 4.712 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511832 334198541 /nfs/dbraw/zinc/19/85/41/334198541.db2.gz IBHIDYVDYHJYBK-UKPHBRMFSA-N 0 3 322.374 4.577 20 30 DJEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511837 334198544 /nfs/dbraw/zinc/19/85/44/334198544.db2.gz IBHIDYVDYHJYBK-UNEWFSDZSA-N 0 3 322.374 4.577 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441752 334202410 /nfs/dbraw/zinc/20/24/10/334202410.db2.gz DLUZMAQLLPCUOP-QRWLVFNGSA-N 0 3 321.399 4.783 20 30 DJEDHN COc1cccc2c1CC[C@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340446411 334203413 /nfs/dbraw/zinc/20/34/13/334203413.db2.gz OENJXRGDXBUJMC-VQTJNVASSA-N 0 3 320.436 4.707 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445973 334203496 /nfs/dbraw/zinc/20/34/96/334203496.db2.gz MLFNHMZNYVZXKZ-BEFAXECRSA-N 0 3 323.396 4.681 20 30 DJEDHN N#CCCC[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447959 334204554 /nfs/dbraw/zinc/20/45/54/334204554.db2.gz QGSNTXKBGWWXQN-RTWAWAEBSA-N 0 3 320.436 4.794 20 30 DJEDHN CC(C)n1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000340450337 334204805 /nfs/dbraw/zinc/20/48/05/334204805.db2.gz XJMMVQUFRONGCX-LPHOPBHVSA-N 0 3 310.445 4.550 20 30 DJEDHN N#CCCC[C@@H](N[C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449734 334205476 /nfs/dbraw/zinc/20/54/76/334205476.db2.gz WOPUXYNTLCBNGJ-UXHICEINSA-N 0 3 308.400 4.838 20 30 DJEDHN COc1ccc2c(c1)[C@H](N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000340452987 334205596 /nfs/dbraw/zinc/20/55/96/334205596.db2.gz PYGMJVAZXAYQRI-NHCUHLMSSA-N 0 3 320.436 4.707 20 30 DJEDHN N#CC[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000294939706 334214314 /nfs/dbraw/zinc/21/43/14/334214314.db2.gz CDDQPIUCNRHSLD-GWCFXTLKSA-N 0 3 316.754 4.531 20 30 DJEDHN COc1ccccc1-c1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000298854690 334251804 /nfs/dbraw/zinc/25/18/04/334251804.db2.gz IUHGHAJBGXQZKB-HZPDHXFCSA-N 0 3 308.425 4.705 20 30 DJEDHN Cc1cccc(NC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000187699560 334267963 /nfs/dbraw/zinc/26/79/63/334267963.db2.gz CUIDQCZSRWTQIH-KRWDZBQOSA-N 0 3 319.452 4.504 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341711660 334473009 /nfs/dbraw/zinc/47/30/09/334473009.db2.gz PHITWCBBZREDEA-WOJBJXKFSA-N 0 3 308.400 4.816 20 30 DJEDHN C[C@H](NCCCCC(C)(C)C#N)c1nc(C(C)(C)C)cs1 ZINC000444680383 338481832 /nfs/dbraw/zinc/48/18/32/338481832.db2.gz FFDUSVYLONIXON-ZDUSSCGKSA-N 0 3 307.507 4.811 20 30 DJEDHN CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000093492227 335652791 /nfs/dbraw/zinc/65/27/91/335652791.db2.gz WUJNZKDJCRKZNY-MRXNPFEDSA-N 0 3 304.846 4.760 20 30 DJEDHN CC(C)CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000325111024 336279217 /nfs/dbraw/zinc/27/92/17/336279217.db2.gz FIYISQMGLVLWCT-QGZVFWFLSA-N 0 3 322.452 4.834 20 30 DJEDHN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000192936286 336285227 /nfs/dbraw/zinc/28/52/27/336285227.db2.gz FQRZQEYPKWXYHQ-ZIAGYGMSSA-N 0 3 314.816 4.654 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000192975259 336286238 /nfs/dbraw/zinc/28/62/38/336286238.db2.gz LRTJUIXDWAXBMC-OLZOCXBDSA-N 0 3 316.351 4.571 20 30 DJEDHN C[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988854 336286623 /nfs/dbraw/zinc/28/66/23/336286623.db2.gz LVLBGLZCYIDHEX-PXAZEXFGSA-N 0 3 312.413 4.585 20 30 DJEDHN CCCC[C@H](NCc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000103172599 336375240 /nfs/dbraw/zinc/37/52/40/336375240.db2.gz WXECSWBMFOQHFW-FQEVSTJZSA-N 0 3 308.425 4.588 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCSc3ccc(F)cc31)CC2 ZINC000353263249 336408928 /nfs/dbraw/zinc/40/89/28/336408928.db2.gz WCISLAQXIDQHDU-ZWKOTPCHSA-N 0 3 324.424 4.511 20 30 DJEDHN N#CCCC[C@@H](NCc1ccc2ccccc2n1)c1ccccc1 ZINC000353913219 336447655 /nfs/dbraw/zinc/44/76/55/336447655.db2.gz HUYVBBKNEPJLNZ-HXUWFJFHSA-N 0 3 315.420 4.760 20 30 DJEDHN CC[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721237 337017791 /nfs/dbraw/zinc/01/77/91/337017791.db2.gz VDAUONPGKHRPGE-PCCBWWKXSA-N 0 3 320.436 4.519 20 30 DJEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc3c2CCCC3)n1 ZINC000583006725 337228260 /nfs/dbraw/zinc/22/82/60/337228260.db2.gz NSMVYMKDHBVYSS-MRXNPFEDSA-N 0 3 324.449 4.635 20 30 DJEDHN CC[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962036 337780310 /nfs/dbraw/zinc/78/03/10/337780310.db2.gz DJQCVFZCFJVNHV-UYAOXDASSA-N 0 3 305.425 4.535 20 30 DJEDHN Cc1cccc(COc2ccc([C@H](C)NCCCC#N)cc2)c1 ZINC000537099297 337890315 /nfs/dbraw/zinc/89/03/15/337890315.db2.gz RFISOBARXBJSTL-KRWDZBQOSA-N 0 3 308.425 4.528 20 30 DJEDHN COc1cc(C#N)ccc1CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000537157239 337901951 /nfs/dbraw/zinc/90/19/51/337901951.db2.gz VJAYZTZDDPLNRO-FQEVSTJZSA-N 0 3 322.452 4.752 20 30 DJEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000514741916 337969847 /nfs/dbraw/zinc/96/98/47/337969847.db2.gz VXBFXHNYUINQEV-OWCLPIDISA-N 0 3 310.363 4.623 20 30 DJEDHN CCSc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000426319767 338026823 /nfs/dbraw/zinc/02/68/23/338026823.db2.gz XYMJAKBTICTHHL-FQEVSTJZSA-N 0 3 322.477 4.837 20 30 DJEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000430733232 338112713 /nfs/dbraw/zinc/11/27/13/338112713.db2.gz DZLGSWQUKRSHON-INIZCTEOSA-N 0 3 306.409 4.823 20 30 DJEDHN Cc1ccc2cc([C@@H](C)NCc3ccc(CC#N)cc3)oc2c1 ZINC000572482378 338231842 /nfs/dbraw/zinc/23/18/42/338231842.db2.gz PRYGJPATPRGICK-OAHLLOKOSA-N 0 3 304.393 4.658 20 30 DJEDHN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 ZINC000154328153 338241381 /nfs/dbraw/zinc/24/13/81/338241381.db2.gz OWSXKWUFGWZFLQ-KBPBESRZSA-N 0 3 310.466 4.910 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000435664739 338244645 /nfs/dbraw/zinc/24/46/45/338244645.db2.gz NQWFEYZRYISYAX-HSMVNMDESA-N 0 3 314.256 4.625 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cccc(Cl)c1Cl ZINC000436287988 338266326 /nfs/dbraw/zinc/26/63/26/338266326.db2.gz UMIZABMYCQILSN-HSMVNMDESA-N 0 3 314.256 4.625 20 30 DJEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(Cl)sc1Cl ZINC000436291963 338266599 /nfs/dbraw/zinc/26/65/99/338266599.db2.gz AZVOCOXFQGMYDW-CWSCBRNRSA-N 0 3 320.285 4.687 20 30 DJEDHN COc1cccc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442675329 338427163 /nfs/dbraw/zinc/42/71/63/338427163.db2.gz GDZQPPLRIQCFTI-MRXNPFEDSA-N 0 3 320.436 4.507 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000447584433 338559186 /nfs/dbraw/zinc/55/91/86/338559186.db2.gz GAIXWPZZCMQNMJ-CZUORRHYSA-N 0 3 322.374 4.757 20 30 DJEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3)cc2F)C1 ZINC000449445536 338624785 /nfs/dbraw/zinc/62/47/85/338624785.db2.gz JNQCPDJTKWEJTG-KXBFYZLASA-N 0 3 308.400 4.665 20 30 DJEDHN Cc1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)ccc1F ZINC000451159567 338723596 /nfs/dbraw/zinc/72/35/96/338723596.db2.gz AYCUWKJDNQZWLS-OAHLLOKOSA-N 0 3 310.416 4.786 20 30 DJEDHN C=CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000453182841 338803914 /nfs/dbraw/zinc/80/39/14/338803914.db2.gz XTLTWFXHQDUVIS-WBMJQRKESA-N 0 3 323.362 4.787 20 30 DJEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(C2CCCCC2)cc1 ZINC000462029146 339071044 /nfs/dbraw/zinc/07/10/44/339071044.db2.gz HGLYOCCMKUQWOX-KXBFYZLASA-N 0 3 312.457 4.707 20 30 DJEDHN CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)s1 ZINC000462553741 339081303 /nfs/dbraw/zinc/08/13/03/339081303.db2.gz QJSSXUKKINGFII-MJGOQNOKSA-N 0 3 310.466 4.669 20 30 DJEDHN CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)s1 ZINC000462553735 339081307 /nfs/dbraw/zinc/08/13/07/339081307.db2.gz QJSSXUKKINGFII-HKUYNNGSSA-N 0 3 310.466 4.669 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288818 339113534 /nfs/dbraw/zinc/11/35/34/339113534.db2.gz QDGMLEPOCUFASN-UEKVPHQBSA-N 0 3 309.240 4.653 20 30 DJEDHN Cc1ccc([C@H](N[C@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000463297324 339113903 /nfs/dbraw/zinc/11/39/03/339113903.db2.gz KPPGTWVVZGTAAL-DZFGPLHGSA-N 0 3 304.437 4.756 20 30 DJEDHN N#CCCCCN1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463373850 339116171 /nfs/dbraw/zinc/11/61/71/339116171.db2.gz YFRZROSBGXIBEA-UHFFFAOYSA-N 0 3 311.256 4.867 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469995952 339307500 /nfs/dbraw/zinc/30/75/00/339307500.db2.gz HHKLPUXDNSHIJF-OAHLLOKOSA-N 0 3 324.390 4.651 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000474102594 339402717 /nfs/dbraw/zinc/40/27/17/339402717.db2.gz BLHJKKNBOGQMBE-QWHCGFSZSA-N 0 3 308.356 4.855 20 30 DJEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000481654366 339608768 /nfs/dbraw/zinc/60/87/68/339608768.db2.gz VETVHJOXDAVXAZ-QVKFZJNVSA-N 0 3 315.420 4.548 20 30 DJEDHN COc1cccc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922513 339616729 /nfs/dbraw/zinc/61/67/29/339616729.db2.gz PEOWVEBINYXVKP-YCRPNKLZSA-N 0 3 320.436 4.685 20 30 DJEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccccc1C(F)(F)F ZINC000507255105 340215935 /nfs/dbraw/zinc/21/59/35/340215935.db2.gz YNZZTNGYJBBPNG-ZDUSSCGKSA-N 0 3 318.342 4.770 20 30 DJEDHN CCOc1ccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000507689874 340228327 /nfs/dbraw/zinc/22/83/27/340228327.db2.gz UZOHVRDJHBHASU-INIZCTEOSA-N 0 3 308.425 4.540 20 30 DJEDHN CC1(C#N)CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000507714309 340229270 /nfs/dbraw/zinc/22/92/70/340229270.db2.gz ONVFDIPFYUSBHM-UHFFFAOYSA-N 0 3 314.429 4.680 20 30 DJEDHN C=C(C)CCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000508990086 340257207 /nfs/dbraw/zinc/25/72/07/340257207.db2.gz DFBUJPUNNGKWEU-LLVKDONJSA-N 0 3 300.265 4.614 20 30 DJEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1F ZINC000512629558 340369886 /nfs/dbraw/zinc/36/98/86/340369886.db2.gz JGLSUMUOWHOALW-JLTOFOAXSA-N 0 3 308.400 4.889 20 30 DJEDHN C[C@@H](NCCCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512654252 340371315 /nfs/dbraw/zinc/37/13/15/340371315.db2.gz KTVRGXIILFBYLC-CQSZACIVSA-N 0 3 314.429 4.530 20 30 DJEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000512665136 340371907 /nfs/dbraw/zinc/37/19/07/340371907.db2.gz DRIGBMXDHZGYSJ-KBPBESRZSA-N 0 3 314.429 4.529 20 30 DJEDHN C[C@@H]1C[C@@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819654 340396694 /nfs/dbraw/zinc/39/66/94/340396694.db2.gz ZVUSMHWZZPHPQN-PBHICJAKSA-N 0 3 300.446 4.697 20 30 DJEDHN C=C1CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000521252559 340484509 /nfs/dbraw/zinc/48/45/09/340484509.db2.gz MPFUOYXDQGEEDC-UHFFFAOYSA-N 0 3 313.363 4.516 20 30 DJEDHN C[C@H](NC[C@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 ZINC000186846695 340516441 /nfs/dbraw/zinc/51/64/41/340516441.db2.gz MOJXIKRBTMFKRH-SUMWQHHRSA-N 0 3 318.342 4.555 20 30 DJEDHN N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000237916737 340675104 /nfs/dbraw/zinc/67/51/04/340675104.db2.gz SETUYOSUYCQKLA-HXUWFJFHSA-N 0 3 308.400 4.718 20 30 DJEDHN Cc1[nH]c2ccc(CN[C@@H](C)c3ccc(C#N)cc3)cc2c1C ZINC000539498157 340887703 /nfs/dbraw/zinc/88/77/03/340887703.db2.gz IWHUCZXLJUKRBR-HNNXBMFYSA-N 0 3 303.409 4.507 20 30 DJEDHN C=CCC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000540151086 340917510 /nfs/dbraw/zinc/91/75/10/340917510.db2.gz NWBOANPGLVZSDR-YJBOKZPZSA-N 0 3 309.409 4.773 20 30 DJEDHN C=C(C)CN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000540352141 340928104 /nfs/dbraw/zinc/92/81/04/340928104.db2.gz LVOXIQJLCFBFGC-INIZCTEOSA-N 0 3 311.425 4.501 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000540605127 340938193 /nfs/dbraw/zinc/93/81/93/340938193.db2.gz CNGXVXHQAVKFNA-QWHCGFSZSA-N 0 3 318.342 4.989 20 30 DJEDHN CC(C)(C)[C@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000544118383 341070857 /nfs/dbraw/zinc/07/08/57/341070857.db2.gz ZRUHSLNJRIKTAE-LJQANCHMSA-N 0 3 310.416 4.769 20 30 DJEDHN CC(C)(C)[C@@H](NCc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000544118381 341070900 /nfs/dbraw/zinc/07/09/00/341070900.db2.gz ZRUHSLNJRIKTAE-IBGZPJMESA-N 0 3 310.416 4.769 20 30 DJEDHN Cc1ccccc1C(NCCC(C)(C)C#N)c1ccccc1C ZINC000544894512 341097676 /nfs/dbraw/zinc/09/76/76/341097676.db2.gz WOPYSSKVQNBGQP-UHFFFAOYSA-N 0 3 306.453 4.922 20 30 DJEDHN CCOc1ccccc1[C@H](CC(C)C)NCc1ccc(C#N)cc1 ZINC000236997431 341205670 /nfs/dbraw/zinc/20/56/70/341205670.db2.gz ZPFSDKKFWJFNCJ-FQEVSTJZSA-N 0 3 322.452 4.834 20 30 DJEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170006 341287806 /nfs/dbraw/zinc/28/78/06/341287806.db2.gz FGTCWBVQYQJWIF-CJNGLKHVSA-N 0 3 322.374 4.674 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535959 341296752 /nfs/dbraw/zinc/29/67/52/341296752.db2.gz MUVUCOLQOPJPNF-LZLYRXPVSA-N 0 3 306.409 4.822 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544956 341297094 /nfs/dbraw/zinc/29/70/94/341297094.db2.gz RUYZSPHXEZZCAV-HZUJVAHNSA-N 0 3 315.420 4.568 20 30 DJEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865791 341305521 /nfs/dbraw/zinc/30/55/21/341305521.db2.gz DCQGZJGCMUQVBT-HIFRSBDPSA-N 0 3 322.374 4.577 20 30 DJEDHN N#Cc1cccc(C2(NCc3ccc(C4CCC4)cc3)CC2)c1 ZINC000550170650 341311685 /nfs/dbraw/zinc/31/16/85/341311685.db2.gz ACIPWZOHIQPUEC-UHFFFAOYSA-N 0 3 302.421 4.605 20 30 DJEDHN C=CCOc1ccc(CNCc2cc3ccccc3s2)cc1 ZINC000550228141 341313194 /nfs/dbraw/zinc/31/31/94/341313194.db2.gz ZHMSPVQQNMZRCL-UHFFFAOYSA-N 0 3 309.434 4.756 20 30 DJEDHN CN(CCCF)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551411090 341340842 /nfs/dbraw/zinc/34/08/42/341340842.db2.gz NXYYWGXFTFYTQQ-UHFFFAOYSA-N 0 3 317.248 4.516 20 30 DJEDHN N#Cc1ccc(CNCc2ccc(C3CCCCC3)cc2)s1 ZINC000552060976 341366128 /nfs/dbraw/zinc/36/61/28/341366128.db2.gz SQPJVUGDXIITQM-UHFFFAOYSA-N 0 3 310.466 4.957 20 30 DJEDHN C=CCC[C@H](NCCc1ccc(F)c(F)c1F)c1ccco1 ZINC000552068383 341367121 /nfs/dbraw/zinc/36/71/21/341367121.db2.gz UWWWFYIJGHYGPP-AWEZNQCLSA-N 0 3 309.331 4.537 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](CCC)c2ccsc2)cc1 ZINC000565849404 341540100 /nfs/dbraw/zinc/54/01/00/341540100.db2.gz LNAQUHDDQZCAHL-SFHVURJKSA-N 0 3 301.455 4.944 20 30 DJEDHN C[C@@H](N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C#N)cc1 ZINC000289160160 341606243 /nfs/dbraw/zinc/60/62/43/341606243.db2.gz GYBGKYVXPKCKIH-JLTOFOAXSA-N 0 3 315.420 4.768 20 30 DJEDHN N#CCc1ccc(CN[C@H]2CCCc3c(Cl)cccc32)cc1 ZINC000567856971 341637237 /nfs/dbraw/zinc/63/72/37/341637237.db2.gz WBJUCJQHCHENFL-IBGZPJMESA-N 0 3 310.828 4.573 20 30 DJEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000336865183 341808890 /nfs/dbraw/zinc/80/88/90/341808890.db2.gz UZDCCUYPLKKMJW-RDTXWAMCSA-N 0 3 308.425 4.824 20 30 DJEDHN C[C@H](NCc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000181654402 525455368 /nfs/dbraw/zinc/45/53/68/525455368.db2.gz WIKPTZAMPCDDMC-INIZCTEOSA-N 0 3 322.452 4.724 20 30 DJEDHN N#CCc1ccc(CN[C@H](c2cccs2)C2CCCC2)cc1 ZINC000563749713 334985583 /nfs/dbraw/zinc/98/55/83/334985583.db2.gz UOXGNSNDAAZYKB-IBGZPJMESA-N 0 3 310.466 4.835 20 30 DJEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000442669377 335002507 /nfs/dbraw/zinc/00/25/07/335002507.db2.gz AYRMPEHNJQYXEC-AEFFLSMTSA-N 0 3 322.477 4.733 20 30 DJEDHN C=CCC[C@H](N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccco1 ZINC000286026347 335032064 /nfs/dbraw/zinc/03/20/64/335032064.db2.gz IYLYEMPBNHNGHX-BJLQDIEVSA-N 0 3 311.425 4.797 20 30 DJEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000570755724 332811880 /nfs/dbraw/zinc/81/18/80/332811880.db2.gz CQHMQECEUHQHGH-MRXNPFEDSA-N 0 3 306.453 4.901 20 30 DJEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000556599878 331719279 /nfs/dbraw/zinc/71/92/79/331719279.db2.gz BDQYRKOMXDEHPS-INIZCTEOSA-N 0 3 316.448 4.777 20 30 DJEDHN CC1(C)C[C@@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000556602862 331719567 /nfs/dbraw/zinc/71/95/67/331719567.db2.gz CWERECFCXKFFOF-LJQANCHMSA-N 0 3 302.421 4.560 20 30 DJEDHN C[C@@H](NCCCc1cccs1)c1ccc(C#N)cc1Cl ZINC000557636006 331804960 /nfs/dbraw/zinc/80/49/60/331804960.db2.gz MCFAEFRYLYREDK-GFCCVEGCSA-N 0 3 304.846 4.557 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000584142880 331840901 /nfs/dbraw/zinc/84/09/01/331840901.db2.gz XNNLOTNXTMMIIQ-SFTDATJTSA-N 0 3 304.437 4.841 20 30 DJEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000410335567 332113818 /nfs/dbraw/zinc/11/38/18/332113818.db2.gz SIAFYBXQHMCELB-UHFFFAOYSA-N 0 3 315.420 4.517 20 30 DJEDHN C=CCCCN[C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000448027363 332198300 /nfs/dbraw/zinc/19/83/00/332198300.db2.gz MQHGZCZEQDUJPK-SNVBAGLBSA-N 0 3 321.314 4.506 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000062422104 332224730 /nfs/dbraw/zinc/22/47/30/332224730.db2.gz SETUYOSUYCQKLA-FQEVSTJZSA-N 0 3 308.400 4.718 20 30 DJEDHN CCc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000236979031 332261611 /nfs/dbraw/zinc/26/16/11/332261611.db2.gz BUJOTUFBUZGTNT-KRWDZBQOSA-N 0 3 322.452 4.782 20 30 DJEDHN N#Cc1ccc2c(c1)[C@H](NCc1cc3ccccc3s1)CC2 ZINC000559877848 332288472 /nfs/dbraw/zinc/28/84/72/332288472.db2.gz OVAXRFUNXXZQOE-GOSISDBHSA-N 0 3 304.418 4.550 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2ccccc2s1 ZINC000559879198 332289029 /nfs/dbraw/zinc/28/90/29/332289029.db2.gz ZQMAXLDNJUDCIN-IBGZPJMESA-N 0 3 318.445 4.940 20 30 DJEDHN CC[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 ZINC000559879154 332289109 /nfs/dbraw/zinc/28/91/09/332289109.db2.gz ZIZGPPHDIYPMAZ-GOSISDBHSA-N 0 3 314.379 4.911 20 30 DJEDHN N#CCCCOc1cccc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000237825547 332392890 /nfs/dbraw/zinc/39/28/90/332392890.db2.gz JYZGDUGFXDKMKL-OAQYLSRUSA-N 0 3 320.436 4.536 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2c1cccc2Cl ZINC000561132722 332414887 /nfs/dbraw/zinc/41/48/87/332414887.db2.gz SFWCXIVKHPTHDR-PMACEKPBSA-N 0 3 322.839 4.866 20 30 DJEDHN C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccc(C#N)cc1Cl ZINC000570235636 332728864 /nfs/dbraw/zinc/72/88/64/332728864.db2.gz LIOBDEUFTHICLX-RYUDHWBXSA-N 0 3 304.846 4.555 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540419 333163007 /nfs/dbraw/zinc/16/30/07/333163007.db2.gz WPRZOTFAYAZAPF-KKSFZXQISA-N 0 3 320.436 4.626 20 30 DJEDHN C=CCC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043328 333175188 /nfs/dbraw/zinc/17/51/88/333175188.db2.gz WLDSWQIAAOCIDB-UWJYYQICSA-N 0 3 320.436 4.947 20 30 DJEDHN C=CCCN[C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462176274 333340773 /nfs/dbraw/zinc/34/07/73/333340773.db2.gz NYLMKHDTAOHLCE-GOSISDBHSA-N 0 3 319.420 4.942 20 30 DJEDHN Cc1cc(CN2CCC(CCC#N)CC2)ccc1C(F)(F)F ZINC000563157368 333400965 /nfs/dbraw/zinc/40/09/65/333400965.db2.gz IQUKVHJSDXQSLL-UHFFFAOYSA-N 0 3 310.363 4.530 20 30 DJEDHN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000319880993 333414918 /nfs/dbraw/zinc/41/49/18/333414918.db2.gz UQONBWMYGQXBOR-JKSUJKDBSA-N 0 3 308.425 4.759 20 30 DJEDHN CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000531696295 333546594 /nfs/dbraw/zinc/54/65/94/333546594.db2.gz FXBNZOHUMPPQRH-QWHCGFSZSA-N 0 3 314.429 4.831 20 30 DJEDHN CSc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000531696291 333546690 /nfs/dbraw/zinc/54/66/90/333546690.db2.gz FXBNZOHUMPPQRH-CHWSQXEVSA-N 0 3 314.429 4.831 20 30 DJEDHN CC(C)[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755670 334100721 /nfs/dbraw/zinc/10/07/21/334100721.db2.gz OCLZURYOMHWDCH-LEWJYISDSA-N 0 3 320.436 4.563 20 30 DJEDHN CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280095493 334114250 /nfs/dbraw/zinc/11/42/50/334114250.db2.gz MSQFJDFTUDWGBY-RBUKOAKNSA-N 0 3 308.425 4.786 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431008 334198401 /nfs/dbraw/zinc/19/84/01/334198401.db2.gz BIUYFQHVEFLCRE-UZLBHIALSA-N 0 3 303.409 4.644 20 30 DJEDHN N#CCCC[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436708 334200856 /nfs/dbraw/zinc/20/08/56/334200856.db2.gz SWSODRSTDPFJOR-PMACEKPBSA-N 0 3 308.400 4.838 20 30 DJEDHN N#CCCC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436709 334200878 /nfs/dbraw/zinc/20/08/78/334200878.db2.gz SWSODRSTDPFJOR-UXHICEINSA-N 0 3 308.400 4.838 20 30 DJEDHN COc1cccc2c1CC[C@@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340446409 334203382 /nfs/dbraw/zinc/20/33/82/334203382.db2.gz OENJXRGDXBUJMC-PMACEKPBSA-N 0 3 320.436 4.707 20 30 DJEDHN Cc1c([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447305 334204348 /nfs/dbraw/zinc/20/43/48/334204348.db2.gz PMKODQIDKCXCPD-UZLBHIALSA-N 0 3 324.472 4.858 20 30 DJEDHN COc1cccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000340456238 334207094 /nfs/dbraw/zinc/20/70/94/334207094.db2.gz WLERZWOASPPUSO-OXQOHEQNSA-N 0 3 308.425 4.781 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Oc2ccccc2)cn1 ZINC000296571356 334235113 /nfs/dbraw/zinc/23/51/13/334235113.db2.gz SXNRUKDTOCDQFP-ULQDDVLXSA-N 0 3 321.424 4.607 20 30 DJEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000112525278 334717400 /nfs/dbraw/zinc/71/74/00/334717400.db2.gz JZUFOZFPCCPXFY-OLZOCXBDSA-N 0 3 314.816 4.632 20 30 DJEDHN CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000417368982 334764363 /nfs/dbraw/zinc/76/43/63/334764363.db2.gz QUVTZWCEDATCFL-RTWAWAEBSA-N 0 3 320.436 4.685 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2sccc21 ZINC000344135228 335220630 /nfs/dbraw/zinc/22/06/30/335220630.db2.gz PNZDBLLQOFFDEM-ZWKOTPCHSA-N 0 3 308.450 4.664 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2sccc21 ZINC000344135222 335220720 /nfs/dbraw/zinc/22/07/20/335220720.db2.gz PNZDBLLQOFFDEM-MSOLQXFVSA-N 0 3 308.450 4.664 20 30 DJEDHN Cc1oc2ccccc2c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000344138755 335220902 /nfs/dbraw/zinc/22/09/02/335220902.db2.gz TYBWGPAQVNNJIX-FQEVSTJZSA-N 0 3 316.404 4.780 20 30 DJEDHN Cc1oc2ccccc2c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000344138783 335221094 /nfs/dbraw/zinc/22/10/94/335221094.db2.gz TYBWGPAQVNNJIX-HXUWFJFHSA-N 0 3 316.404 4.780 20 30 DJEDHN C=CCC[C@@H](NCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000345017195 335291580 /nfs/dbraw/zinc/29/15/80/335291580.db2.gz ISUQHPSGOHJVQT-MRXNPFEDSA-N 0 3 308.347 4.831 20 30 DJEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NCCCC(C)(C)C#N ZINC000444781814 338488400 /nfs/dbraw/zinc/48/84/00/338488400.db2.gz PLOJSUOCZVSJRR-OAHLLOKOSA-N 0 3 312.379 4.908 20 30 DJEDHN C[C@H](NCC(C)(C)CCC#N)c1nc(-c2ccccc2)cs1 ZINC000348246733 335567331 /nfs/dbraw/zinc/56/73/31/335567331.db2.gz SHTJEPSJQHYAJH-AWEZNQCLSA-N 0 3 313.470 4.791 20 30 DJEDHN N#CCC[C@H](NC/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761328 336233419 /nfs/dbraw/zinc/23/34/19/336233419.db2.gz WBULVNHJYBDCPG-UEKDZROGSA-N 0 3 312.363 4.613 20 30 DJEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCSc3c(F)cccc31)CC2 ZINC000353259290 336408501 /nfs/dbraw/zinc/40/85/01/336408501.db2.gz DVPGRISDRUDELM-ZWKOTPCHSA-N 0 3 324.424 4.511 20 30 DJEDHN COc1cc(CN[C@@H](CC2CCC2)c2ccccc2)ccc1C#N ZINC000353623213 336429475 /nfs/dbraw/zinc/42/94/75/336429475.db2.gz OIJJEKNXYAFWMG-FQEVSTJZSA-N 0 3 320.436 4.588 20 30 DJEDHN CC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026064 336654014 /nfs/dbraw/zinc/65/40/14/336654014.db2.gz DSPMLDZLFVJQRA-PMACEKPBSA-N 0 3 308.400 4.816 20 30 DJEDHN CC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026071 336654020 /nfs/dbraw/zinc/65/40/20/336654020.db2.gz DSPMLDZLFVJQRA-VQTJNVASSA-N 0 3 308.400 4.816 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000248740899 337567129 /nfs/dbraw/zinc/56/71/29/337567129.db2.gz FBRGAZSEWFZLPB-KYOSRNDESA-N 0 3 306.862 4.549 20 30 DJEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cc2ccccc2s1 ZINC000527484603 337744429 /nfs/dbraw/zinc/74/44/29/337744429.db2.gz PBBZEEWHZLUDRS-CQSZACIVSA-N 0 3 306.434 4.818 20 30 DJEDHN C[C@@H](NCc1cccc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000537406621 337933684 /nfs/dbraw/zinc/93/36/84/337933684.db2.gz GPPQXNCDGROTKE-CQSZACIVSA-N 0 3 304.368 4.701 20 30 DJEDHN CC1(C)CC[C@H]2C[C@@H](NCc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384434 337934371 /nfs/dbraw/zinc/93/43/71/337934371.db2.gz RQGANHJQEUYBCJ-FXAWDEMLSA-N 0 3 316.448 4.948 20 30 DJEDHN C=CCC[C@@H](NCCc1csc(C(C)(C)C)n1)c1ccco1 ZINC000516308474 338009517 /nfs/dbraw/zinc/00/95/17/338009517.db2.gz PSWBSJWNXNVION-OAHLLOKOSA-N 0 3 318.486 4.873 20 30 DJEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314490 338026505 /nfs/dbraw/zinc/02/65/05/338026505.db2.gz XOTQXZGDBUQZIK-HNAYVOBHSA-N 0 3 308.400 4.665 20 30 DJEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc(-c2ccccc2F)cs1 ZINC000428440175 338051563 /nfs/dbraw/zinc/05/15/63/338051563.db2.gz RVOWCPVQMLEBJE-CHWSQXEVSA-N 0 3 304.434 4.640 20 30 DJEDHN CC(C)Oc1ccccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433020106 338176578 /nfs/dbraw/zinc/17/65/78/338176578.db2.gz BJXKSIFIPCIYIN-FQEVSTJZSA-N 0 3 322.452 4.999 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCC2)c(Cl)c1 ZINC000439430099 338369031 /nfs/dbraw/zinc/36/90/31/338369031.db2.gz HSPSYINQAWGAMD-LJQANCHMSA-N 0 3 310.828 4.843 20 30 DJEDHN COc1cc(CN[C@H](c2cccc(C)c2)C(C)(C)C)ccc1C#N ZINC000440608714 338392222 /nfs/dbraw/zinc/39/22/22/338392222.db2.gz FGUWSDJFWNLLIY-HXUWFJFHSA-N 0 3 322.452 4.752 20 30 DJEDHN Cc1ccc(Oc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442780220 338430701 /nfs/dbraw/zinc/43/07/01/338430701.db2.gz MNGCSSIGVGMBOI-FUHWJXTLSA-N 0 3 306.409 4.569 20 30 DJEDHN C=C(C)[C@@H](NC1CCC(C(F)F)CC1)c1ccc(F)c(F)c1 ZINC000442847694 338434473 /nfs/dbraw/zinc/43/44/73/338434473.db2.gz QWHWZMVQMUFDIP-IJGSQOGDSA-N 0 3 315.354 4.996 20 30 DJEDHN CC[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000447525660 338553980 /nfs/dbraw/zinc/55/39/80/338553980.db2.gz AQAANQCBBZJRDM-RTBURBONSA-N 0 3 310.828 4.940 20 30 DJEDHN CC[C@H](NCc1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000447531883 338554661 /nfs/dbraw/zinc/55/46/61/338554661.db2.gz UAHRQPVYHWXELT-IBGZPJMESA-N 0 3 308.425 4.586 20 30 DJEDHN N#CCCCN[C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453192220 338805472 /nfs/dbraw/zinc/80/54/72/338805472.db2.gz JEKKXXPFGYYNGW-MRXNPFEDSA-N 0 3 304.846 4.579 20 30 DJEDHN C=CC[C@@H](CC)N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805806 339090106 /nfs/dbraw/zinc/09/01/06/339090106.db2.gz IOKWCFSFBSZGLC-CHWSQXEVSA-N 0 3 304.434 4.955 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000462842220 339093882 /nfs/dbraw/zinc/09/38/82/339093882.db2.gz XMIFERHVXSUJOJ-CKJXQJPGSA-N 0 3 304.437 4.923 20 30 DJEDHN CC(C)(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000463239240 339111123 /nfs/dbraw/zinc/11/11/23/339111123.db2.gz VBMADKFRNDCPHQ-RVSPLBMKSA-N 0 3 306.400 4.724 20 30 DJEDHN CC(N[C@@H]1CCC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245441 339111654 /nfs/dbraw/zinc/11/16/54/339111654.db2.gz CHBVPGVTTYQQLH-FXAWDEMLSA-N 0 3 304.437 4.622 20 30 DJEDHN CC(N[C@@H]1CCC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245444 339111704 /nfs/dbraw/zinc/11/17/04/339111704.db2.gz CHBVPGVTTYQQLH-YLJYHZDGSA-N 0 3 304.437 4.622 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288820 339113537 /nfs/dbraw/zinc/11/35/37/339113537.db2.gz QDGMLEPOCUFASN-ZETOZRRWSA-N 0 3 309.240 4.653 20 30 DJEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293734 339113828 /nfs/dbraw/zinc/11/38/28/339113828.db2.gz MOTZJKXCNHFICA-ZWKOTPCHSA-N 0 3 312.457 4.570 20 30 DJEDHN COc1cccc(-c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc2)c1 ZINC000463304256 339114353 /nfs/dbraw/zinc/11/43/53/339114353.db2.gz VJWBAFFFECZROL-XLIONFOSSA-N 0 3 320.436 4.534 20 30 DJEDHN CC[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000464787079 339153645 /nfs/dbraw/zinc/15/36/45/339153645.db2.gz WQNYNRYAUDFUGZ-LJQANCHMSA-N 0 3 322.477 4.553 20 30 DJEDHN CC(C)(C#N)CCCN1CCC(=Cc2ccccc2F)CC1 ZINC000464874821 339159779 /nfs/dbraw/zinc/15/97/79/339159779.db2.gz KGCWXNFRVIUDEK-UHFFFAOYSA-N 0 3 300.421 4.635 20 30 DJEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc(SC)cc2)c1 ZINC000466412541 339203308 /nfs/dbraw/zinc/20/33/08/339203308.db2.gz RUURWAZHWHUSQH-HNNXBMFYSA-N 0 3 313.466 4.824 20 30 DJEDHN N#CCSCCCN(Cc1ccccc1Cl)C1CCCC1 ZINC000466726791 339214425 /nfs/dbraw/zinc/21/44/25/339214425.db2.gz FBAQBRNBMPAXMN-UHFFFAOYSA-N 0 3 322.905 4.731 20 30 DJEDHN N#Cc1ccc(CN(Cc2cccc(C(F)F)c2)C2CC2)cc1 ZINC000470717599 339325837 /nfs/dbraw/zinc/32/58/37/339325837.db2.gz LGVJYWKCCMFRIN-UHFFFAOYSA-N 0 3 312.363 4.660 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606613 339349272 /nfs/dbraw/zinc/34/92/72/339349272.db2.gz OIPQYUNDIBSKGX-NSISKUIASA-N 0 3 324.855 4.906 20 30 DJEDHN CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000472126187 339363586 /nfs/dbraw/zinc/36/35/86/339363586.db2.gz MNRTUUIIJBUDHI-RBUKOAKNSA-N 0 3 319.452 4.626 20 30 DJEDHN C=CCCCC[C@H](C)N[C@@H](C)c1ccc(Br)cn1 ZINC000479391006 339532790 /nfs/dbraw/zinc/53/27/90/339532790.db2.gz MDJJTWBQZMUPMT-STQMWFEESA-N 0 3 311.267 4.630 20 30 DJEDHN C[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000479469468 339536829 /nfs/dbraw/zinc/53/68/29/339536829.db2.gz WPNPDHSNAWHFBF-BUXKBTBVSA-N 0 3 312.363 4.565 20 30 DJEDHN C=CCOc1ccccc1CN[C@@H](CC)c1cccc(OC)c1 ZINC000482896746 339646422 /nfs/dbraw/zinc/64/64/22/339646422.db2.gz UJHNWVYZGSWXJV-IBGZPJMESA-N 0 3 311.425 4.501 20 30 DJEDHN C=CCOc1ccc(CN[C@@H](c2ccccc2C)C2CC2)cc1 ZINC000489051347 339800807 /nfs/dbraw/zinc/80/08/07/339800807.db2.gz HKZHRLLJTQHAPB-OAQYLSRUSA-N 0 3 307.437 4.801 20 30 DJEDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000490356967 339831112 /nfs/dbraw/zinc/83/11/12/339831112.db2.gz ZQKRFRHNQPCZGG-VLIAUNLRSA-N 0 3 308.400 4.734 20 30 DJEDHN C=CCOc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000500244653 340053903 /nfs/dbraw/zinc/05/39/03/340053903.db2.gz RIDGKTUPNWKSAO-FQEVSTJZSA-N 0 3 311.400 4.558 20 30 DJEDHN Cc1cccc(-c2ccc(CNCc3cc(C#N)cs3)cc2)c1 ZINC000500749161 340066458 /nfs/dbraw/zinc/06/64/58/340066458.db2.gz MZWIXPUJGDQZMP-UHFFFAOYSA-N 0 3 318.445 4.885 20 30 DJEDHN C=CCOc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000506633357 340198172 /nfs/dbraw/zinc/19/81/72/340198172.db2.gz PMBHRHDXCHGOLW-IBGZPJMESA-N 0 3 313.828 4.682 20 30 DJEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cccc(C#N)c1 ZINC000507204169 340213302 /nfs/dbraw/zinc/21/33/02/340213302.db2.gz QIQQHQJDTPBMAV-ZDUSSCGKSA-N 0 3 318.342 4.770 20 30 DJEDHN CN(Cc1cccc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC000507242208 340215240 /nfs/dbraw/zinc/21/52/40/340215240.db2.gz KJQFEOLMTOJJCZ-UHFFFAOYSA-N 0 3 312.416 4.857 20 30 DJEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512288094 340355666 /nfs/dbraw/zinc/35/56/66/340355666.db2.gz MAGGRAKZJIIZIV-PJSUUKDQSA-N 0 3 308.400 4.672 20 30 DJEDHN C=CCOc1ccc(CNCc2c(C)oc3ccccc32)cc1 ZINC000512537242 340366071 /nfs/dbraw/zinc/36/60/71/340366071.db2.gz PGWUKQSLGBWGJE-UHFFFAOYSA-N 0 3 307.393 4.596 20 30 DJEDHN C=CCOc1ccc(CNCc2cccc(SCC)c2)cc1 ZINC000512573792 340367542 /nfs/dbraw/zinc/36/75/42/340367542.db2.gz OGHXRFFIWAGYMZ-UHFFFAOYSA-N 0 3 313.466 4.653 20 30 DJEDHN C=C(C)[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652299 340371124 /nfs/dbraw/zinc/37/11/24/340371124.db2.gz LKIPLUJXLMAFKF-DJJJIMSYSA-N 0 3 317.379 4.508 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000512667673 340371988 /nfs/dbraw/zinc/37/19/88/340371988.db2.gz QPTLNRSGQIGSCU-XOBRGWDASA-N 0 3 308.400 4.808 20 30 DJEDHN C[C@H]1C[C@H]1c1ccc(CN(CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819675 340396740 /nfs/dbraw/zinc/39/67/40/340396740.db2.gz ZVUSMHWZZPHPQN-WMLDXEAASA-N 0 3 300.446 4.697 20 30 DJEDHN N#Cc1cccc(C2(NC/C=C\c3ccc(Cl)cc3)CC2)c1 ZINC000513527375 340412381 /nfs/dbraw/zinc/41/23/81/340412381.db2.gz SHLSIBLYOXMZGF-RQOWECAXSA-N 0 3 308.812 4.504 20 30 DJEDHN C[C@H](NCCCCC#N)c1ccc(Cl)c(Cl)c1Cl ZINC000178641106 340451190 /nfs/dbraw/zinc/45/11/90/340451190.db2.gz FVMFPEIHZYUBCX-VIFPVBQESA-N 0 3 305.636 4.991 20 30 DJEDHN COc1ccc([C@@H](Cc2ccccc2)NCCC(C)(C)C#N)cc1 ZINC000521944081 340558542 /nfs/dbraw/zinc/55/85/42/340558542.db2.gz GSDOXWPAJDDNFS-HXUWFJFHSA-N 0 3 322.452 4.508 20 30 DJEDHN C=CCOc1cccc(CNC(C)(C)c2cccc(Cl)c2)c1 ZINC000523384317 340622514 /nfs/dbraw/zinc/62/25/14/340622514.db2.gz WTRRRDVBTWIGEO-UHFFFAOYSA-N 0 3 315.844 4.930 20 30 DJEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000237829723 340674342 /nfs/dbraw/zinc/67/43/42/340674342.db2.gz XFJPFZPPKQRPHK-IBGZPJMESA-N 0 3 313.828 4.682 20 30 DJEDHN C=CCCN[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000525356879 340701352 /nfs/dbraw/zinc/70/13/52/340701352.db2.gz XCWLQTVGYAJMQT-SFHVURJKSA-N 0 3 301.817 4.604 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000538235299 340814461 /nfs/dbraw/zinc/81/44/61/340814461.db2.gz KUSGLGHLRWYVQM-FQEVSTJZSA-N 0 3 322.452 4.752 20 30 DJEDHN C=CCCC[C@@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000539508554 340888549 /nfs/dbraw/zinc/88/85/49/340888549.db2.gz CFJYAOWCFPDBDE-CHWSQXEVSA-N 0 3 305.853 4.622 20 30 DJEDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000539608630 340892400 /nfs/dbraw/zinc/89/24/00/340892400.db2.gz VMISFAKDQKJACR-XOBRGWDASA-N 0 3 308.400 4.808 20 30 DJEDHN C[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccc(C#N)c(F)c1 ZINC000539610055 340892635 /nfs/dbraw/zinc/89/26/35/340892635.db2.gz OBIKWAYAFQPOCS-VOJFVSQTSA-N 0 3 314.791 4.689 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000540712038 340942839 /nfs/dbraw/zinc/94/28/39/340942839.db2.gz IUSREDKIMIVWGH-INIZCTEOSA-N 0 3 322.452 4.953 20 30 DJEDHN N#CCc1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000542211750 341000411 /nfs/dbraw/zinc/00/04/11/341000411.db2.gz ODURIKNCEQDXFK-FQEVSTJZSA-N 0 3 308.400 4.523 20 30 DJEDHN C[C@H](NCCCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000542498526 341010506 /nfs/dbraw/zinc/01/05/06/341010506.db2.gz YAQXKXHVPZTLNQ-VIFPVBQESA-N 0 3 324.268 4.679 20 30 DJEDHN N#CCC1CCN(Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000542854178 341023761 /nfs/dbraw/zinc/02/37/61/341023761.db2.gz NWSLIMIFJAFDDT-UHFFFAOYSA-N 0 3 308.400 4.618 20 30 DJEDHN C=C(CC)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543052594 341029524 /nfs/dbraw/zinc/02/95/24/341029524.db2.gz SIWLXYLWKAYQCY-SFHVURJKSA-N 0 3 300.833 4.575 20 30 DJEDHN C=CCCN[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544471480 341083722 /nfs/dbraw/zinc/08/37/22/341083722.db2.gz SNNQPFZMWCWEOV-NSHDSACASA-N 0 3 306.862 4.999 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000544896411 341098105 /nfs/dbraw/zinc/09/81/05/341098105.db2.gz DFQUDKNJAYXEKU-LSDHHAIUSA-N 0 3 322.427 4.988 20 30 DJEDHN C[C@@H]1C[C@H]1[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000237454861 341214225 /nfs/dbraw/zinc/21/42/25/341214225.db2.gz SJFGIMVFSJTCEK-ZNOIYHFQSA-N 0 3 310.828 4.699 20 30 DJEDHN C[C@@H]1C[C@H]1[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000237454767 341214234 /nfs/dbraw/zinc/21/42/34/341214234.db2.gz XYHRQAAMSAWQIZ-ZNOIYHFQSA-N 0 3 310.828 4.699 20 30 DJEDHN CC(C)(C#N)c1ccccc1CN(CCC(F)(F)F)CC1CC1 ZINC000135280759 341235343 /nfs/dbraw/zinc/23/53/43/341235343.db2.gz ZJHHFMIMJQLFLG-UHFFFAOYSA-N 0 3 324.390 4.652 20 30 DJEDHN CC(C)(CNCc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000548972944 341282618 /nfs/dbraw/zinc/28/26/18/341282618.db2.gz FETCVMFKTIIQFU-UHFFFAOYSA-N 0 3 317.248 4.523 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536283 341296798 /nfs/dbraw/zinc/29/67/98/341296798.db2.gz SKSHSLNJNURKCD-AUSJPIAWSA-N 0 3 308.400 4.836 20 30 DJEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544958 341297123 /nfs/dbraw/zinc/29/71/23/341297123.db2.gz RUYZSPHXEZZCAV-WJPUGNRLSA-N 0 3 315.420 4.568 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927596 341306988 /nfs/dbraw/zinc/30/69/88/341306988.db2.gz BRDDCENVGXIKMV-UXLLHSPISA-N 0 3 324.399 4.961 20 30 DJEDHN C=CCOc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1 ZINC000550226193 341312961 /nfs/dbraw/zinc/31/29/61/341312961.db2.gz GVGQWJUANQIWCH-UHFFFAOYSA-N 0 3 317.379 4.653 20 30 DJEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000551557860 341345402 /nfs/dbraw/zinc/34/54/02/341345402.db2.gz MKSSKELDNRVPJG-SFHVURJKSA-N 0 3 310.828 4.942 20 30 DJEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000552922770 341408743 /nfs/dbraw/zinc/40/87/43/341408743.db2.gz SMZUVNVTSRCDBE-HXPMCKFVSA-N 0 3 312.363 4.565 20 30 DJEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000552922768 341408772 /nfs/dbraw/zinc/40/87/72/341408772.db2.gz SMZUVNVTSRCDBE-BUXKBTBVSA-N 0 3 312.363 4.565 20 30 DJEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000552922767 341408779 /nfs/dbraw/zinc/40/87/79/341408779.db2.gz SMZUVNVTSRCDBE-BLVKFPJESA-N 0 3 312.363 4.565 20 30 DJEDHN Cc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000553293905 341423619 /nfs/dbraw/zinc/42/36/19/341423619.db2.gz OTRWVAJDCFSAIG-HRAATJIYSA-N 0 3 304.437 4.903 20 30 DJEDHN Cc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000553293908 341423628 /nfs/dbraw/zinc/42/36/28/341423628.db2.gz OTRWVAJDCFSAIG-KKSFZXQISA-N 0 3 304.437 4.903 20 30 DJEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 ZINC000564493988 341502623 /nfs/dbraw/zinc/50/26/23/341502623.db2.gz BXSPKGWRORVCBS-UGSOOPFHSA-N 0 3 302.377 4.643 20 30 DJEDHN CCOc1ccccc1[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000565850391 341540107 /nfs/dbraw/zinc/54/01/07/341540107.db2.gz LQCVBELZIYFLHC-QRWLVFNGSA-N 0 3 320.436 4.685 20 30 DJEDHN Cc1ccc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000574561443 341762259 /nfs/dbraw/zinc/76/22/59/341762259.db2.gz HAWNHSCDAYOGQC-NHCUHLMSSA-N 0 3 302.421 4.595 20 30 DJEDHN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130431095 525588671 /nfs/dbraw/zinc/58/86/71/525588671.db2.gz JPJGHXMOXGAION-MQIPJXDCSA-N 0 3 314.479 4.896 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000126528420 525607732 /nfs/dbraw/zinc/60/77/32/525607732.db2.gz SMSYSSDVHPSQOV-DLBZAZTESA-N 0 3 319.452 4.570 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973542 185138284 /nfs/dbraw/zinc/13/82/84/185138284.db2.gz SGLCAODVSBBAEX-CHWSQXEVSA-N 0 3 316.351 4.571 20 30 DJEDHN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000121443837 132156230 /nfs/dbraw/zinc/15/62/30/132156230.db2.gz UOCZJQZYHIEOJL-STQMWFEESA-N 0 3 316.351 4.571 20 30 DJEDHN N#Cc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000015025058 331515796 /nfs/dbraw/zinc/51/57/96/331515796.db2.gz WAEYLMNHYGUFHB-JOCHJYFZSA-N 0 3 312.416 4.632 20 30 DJEDHN C=CCC[C@H](N[C@@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950190 331564959 /nfs/dbraw/zinc/56/49/59/331564959.db2.gz MAQMSDFKNSDCKL-VQTJNVASSA-N 0 3 307.437 4.980 20 30 DJEDHN CCc1ccc([C@H](CC)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000556605659 331718737 /nfs/dbraw/zinc/71/87/37/331718737.db2.gz DLIQVALZIMXZEZ-FQEVSTJZSA-N 0 3 304.437 4.851 20 30 DJEDHN C=CCOc1ccc(CNCc2cccc(Cl)c2)cc1Cl ZINC000518248164 332000418 /nfs/dbraw/zinc/00/04/18/332000418.db2.gz FXBKNYGYSUWVRH-UHFFFAOYSA-N 0 3 322.235 4.848 20 30 DJEDHN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664899 332092038 /nfs/dbraw/zinc/09/20/38/332092038.db2.gz QRFFMZJBYKCKPU-PMACEKPBSA-N 0 3 308.425 4.781 20 30 DJEDHN COc1ccc2c(c1)CCC[C@@H]2N[C@H](CCC#N)c1ccccc1 ZINC000090665033 332092201 /nfs/dbraw/zinc/09/22/01/332092201.db2.gz FHNREWQIRGRYGK-RTWAWAEBSA-N 0 3 320.436 4.707 20 30 DJEDHN N#CC1(CN[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000560177202 332317100 /nfs/dbraw/zinc/31/71/00/332317100.db2.gz UTTZKJKFZUOLKN-IAGOWNOFSA-N 0 3 302.849 4.650 20 30 DJEDHN N#Cc1cccc(C2(N[C@H]3CCCc4c(Cl)cccc43)CC2)c1 ZINC000560265671 332326364 /nfs/dbraw/zinc/32/63/64/332326364.db2.gz PWJXFOONBLTANE-IBGZPJMESA-N 0 3 322.839 4.868 20 30 DJEDHN Cc1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000237494523 332366603 /nfs/dbraw/zinc/36/66/03/332366603.db2.gz JMPLCCRYILAICC-KRWDZBQOSA-N 0 3 308.425 4.528 20 30 DJEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000561139931 332416396 /nfs/dbraw/zinc/41/63/96/332416396.db2.gz HUSWCEHDHFUWDO-YJYMSZOUSA-N 0 3 310.828 4.940 20 30 DJEDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536913 333162636 /nfs/dbraw/zinc/16/26/36/333162636.db2.gz JJWPSEMHLUMAIC-IAGOWNOFSA-N 0 3 308.425 4.618 20 30 DJEDHN C=CCC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043377 333175052 /nfs/dbraw/zinc/17/50/52/333175052.db2.gz WLDSWQIAAOCIDB-DYESRHJHSA-N 0 3 320.436 4.947 20 30 DJEDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000271479698 334023539 /nfs/dbraw/zinc/02/35/39/334023539.db2.gz NEQGRCRGFQWJQC-IAGOWNOFSA-N 0 3 308.425 4.618 20 30 DJEDHN Cc1ccc([C@H](N[C@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000271874256 334027929 /nfs/dbraw/zinc/02/79/29/334027929.db2.gz NRFNSFRVIFNLIH-IERDGZPVSA-N 0 3 320.436 4.699 20 30 DJEDHN Cc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456799 334047051 /nfs/dbraw/zinc/04/70/51/334047051.db2.gz HHOVUGGBTKSCKF-QFBILLFUSA-N 0 3 308.425 4.705 20 30 DJEDHN C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccc(OCC#N)cc1 ZINC000277184021 334086782 /nfs/dbraw/zinc/08/67/82/334086782.db2.gz ICZXTQBWHNPXEJ-MRXNPFEDSA-N 0 3 320.436 4.707 20 30 DJEDHN CC(C)[C@H]1C[C@H](NCc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755677 334100858 /nfs/dbraw/zinc/10/08/58/334100858.db2.gz OCLZURYOMHWDCH-RTWAWAEBSA-N 0 3 320.436 4.563 20 30 DJEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441742 334202391 /nfs/dbraw/zinc/20/23/91/334202391.db2.gz DLUZMAQLLPCUOP-MGPUTAFESA-N 0 3 321.399 4.783 20 30 DJEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453049 334205482 /nfs/dbraw/zinc/20/54/82/334205482.db2.gz RBFVHQYRRBYEMI-CRAIPNDOSA-N 0 3 322.408 4.501 20 30 DJEDHN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453051 334205495 /nfs/dbraw/zinc/20/54/95/334205495.db2.gz RBFVHQYRRBYEMI-QAPCUYQASA-N 0 3 322.408 4.501 20 30 DJEDHN COc1ccc2c(c1)[C@@H](N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340452989 334205545 /nfs/dbraw/zinc/20/55/45/334205545.db2.gz PYGMJVAZXAYQRI-SFTDATJTSA-N 0 3 320.436 4.707 20 30 DJEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340457990 334207561 /nfs/dbraw/zinc/20/75/61/334207561.db2.gz XEWVUTHPNAHOSL-PXNSSMCTSA-N 0 3 321.468 4.838 20 30 DJEDHN COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000298854684 334251771 /nfs/dbraw/zinc/25/17/71/334251771.db2.gz IUHGHAJBGXQZKB-HOTGVXAUSA-N 0 3 308.425 4.705 20 30 DJEDHN C[C@H](NCc1cc(Cl)cc2cccnc21)c1ccc(C#N)cc1 ZINC000531912846 334290723 /nfs/dbraw/zinc/29/07/23/334290723.db2.gz ZOIQQQXCPCSTMY-ZDUSSCGKSA-N 0 3 321.811 4.611 20 30 DJEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000341760829 334478350 /nfs/dbraw/zinc/47/83/50/334478350.db2.gz MTCVUCOACGAFAZ-LEWJYISDSA-N 0 3 320.436 4.685 20 30 DJEDHN C=CCC[C@@H](NCc1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000342221141 334522294 /nfs/dbraw/zinc/52/22/94/334522294.db2.gz KNICRZRTNXNXIF-QGZVFWFLSA-N 0 3 320.358 4.898 20 30 DJEDHN C=CCC[C@H](NCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000345017194 335291663 /nfs/dbraw/zinc/29/16/63/335291663.db2.gz ISUQHPSGOHJVQT-INIZCTEOSA-N 0 3 308.347 4.831 20 30 DJEDHN CSc1ccc(CN[C@H](CCCC#N)c2ccccc2)s1 ZINC000353918073 335556273 /nfs/dbraw/zinc/55/62/73/335556273.db2.gz XJIURUNQRKARKO-MRXNPFEDSA-N 0 3 316.495 4.995 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccc(OCC#N)cc1 ZINC000191633171 335783879 /nfs/dbraw/zinc/78/38/79/335783879.db2.gz OODVAAYGODQLJX-CABCVRRESA-N 0 3 320.392 4.747 20 30 DJEDHN COc1ccc(C#N)cc1CN[C@@H](CC1CCC1)c1ccccc1 ZINC000351026009 336005380 /nfs/dbraw/zinc/00/53/80/336005380.db2.gz IPWMTRBRKJRBJQ-FQEVSTJZSA-N 0 3 320.436 4.588 20 30 DJEDHN CC[C@@H](N[C@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612096 336226930 /nfs/dbraw/zinc/22/69/30/336226930.db2.gz MREMKMKAWCZGMP-RTWAWAEBSA-N 0 3 304.437 4.985 20 30 DJEDHN CC[C@H](N[C@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612098 336226939 /nfs/dbraw/zinc/22/69/39/336226939.db2.gz MREMKMKAWCZGMP-SFTDATJTSA-N 0 3 304.437 4.985 20 30 DJEDHN CC(C)Sc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000103345376 336240110 /nfs/dbraw/zinc/24/01/10/336240110.db2.gz MLSARUIGHDYIPV-OAHLLOKOSA-N 0 3 310.466 4.910 20 30 DJEDHN C=C1CCN([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000532556508 336255432 /nfs/dbraw/zinc/25/54/32/336255432.db2.gz LKOKCGLIGCSOMU-QGZVFWFLSA-N 0 3 320.436 4.652 20 30 DJEDHN Cc1ccccc1[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000532567657 336255860 /nfs/dbraw/zinc/25/58/60/336255860.db2.gz MCNQXSRXZFHJTA-LJQANCHMSA-N 0 3 310.416 4.883 20 30 DJEDHN CCC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117270 336279492 /nfs/dbraw/zinc/27/94/92/336279492.db2.gz ORYMBIHQLOLIFT-LIRRHRJNSA-N 0 3 323.396 4.658 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000192975270 336286249 /nfs/dbraw/zinc/28/62/49/336286249.db2.gz LRTJUIXDWAXBMC-QWHCGFSZSA-N 0 3 316.351 4.571 20 30 DJEDHN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000193002549 336286794 /nfs/dbraw/zinc/28/67/94/336286794.db2.gz UUIQRDBLAANWCE-OLZOCXBDSA-N 0 3 318.342 4.989 20 30 DJEDHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016890 336287004 /nfs/dbraw/zinc/28/70/04/336287004.db2.gz ZWRRMMJWIUXTDD-UONOGXRCSA-N 0 3 314.454 4.679 20 30 DJEDHN CC[C@H](NCc1ccc(CSC)cc1)c1ccc(C#N)cc1 ZINC000353949083 336450867 /nfs/dbraw/zinc/45/08/67/336450867.db2.gz ZMHRAFRSSMVTKB-IBGZPJMESA-N 0 3 310.466 4.662 20 30 DJEDHN C=CCSCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358031821 336607516 /nfs/dbraw/zinc/60/75/16/336607516.db2.gz ZGJDMCDSAPSCCA-NSHDSACASA-N 0 3 324.540 4.750 20 30 DJEDHN CC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026073 336653930 /nfs/dbraw/zinc/65/39/30/336653930.db2.gz DSPMLDZLFVJQRA-WOJBJXKFSA-N 0 3 308.400 4.816 20 30 DJEDHN CC(C)(C#N)CCCCN1CCC(c2ncccc2Cl)CC1 ZINC000376092788 337026861 /nfs/dbraw/zinc/02/68/61/337026861.db2.gz AVEQWKNMEMPADZ-UHFFFAOYSA-N 0 3 319.880 4.634 20 30 DJEDHN CC(C)(C#N)CCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360034584 337084003 /nfs/dbraw/zinc/08/40/03/337084003.db2.gz DMVLVSCONFHVNU-INIZCTEOSA-N 0 3 311.429 4.685 20 30 DJEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@H]1c1ccccc1 ZINC000582632728 337116385 /nfs/dbraw/zinc/11/63/85/337116385.db2.gz CRSUFVRZEOPEFP-RTWAWAEBSA-N 0 3 323.484 4.646 20 30 DJEDHN N#CC1(CCN[C@H](CC(F)F)c2ccccc2)CCCCC1 ZINC000420988762 337517675 /nfs/dbraw/zinc/51/76/75/337517675.db2.gz AVBFPILBBCRQHX-MRXNPFEDSA-N 0 3 306.400 4.837 20 30 DJEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000424316742 337819761 /nfs/dbraw/zinc/81/97/61/337819761.db2.gz BHMVKAYMZAFPIS-NJZAAPMLSA-N 0 3 306.862 4.549 20 30 DJEDHN COc1ccccc1-c1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424328760 337821596 /nfs/dbraw/zinc/82/15/96/337821596.db2.gz OMLMQHMZOWETFJ-JTDSTZFVSA-N 0 3 320.436 4.705 20 30 DJEDHN Cc1nc(-c2cc([C@@H](C)N[C@@H]3CC[C@H](C#N)C3)cs2)cs1 ZINC000424333910 337822572 /nfs/dbraw/zinc/82/25/72/337822572.db2.gz UUHMNLNCLUSAHT-SCDSUCTJSA-N 0 3 317.483 4.523 20 30 DJEDHN N#Cc1ccc(CN[C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000116923184 337844723 /nfs/dbraw/zinc/84/47/23/337844723.db2.gz QOQHDGCTDDIBGG-LJQANCHMSA-N 0 3 318.445 4.693 20 30 DJEDHN CC(C)c1ccc(OC2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000537363342 337932722 /nfs/dbraw/zinc/93/27/22/337932722.db2.gz MDUNERIMBOHWOS-UHFFFAOYSA-N 0 3 314.473 4.593 20 30 DJEDHN C[C@H](N[C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000123279046 337963594 /nfs/dbraw/zinc/96/35/94/337963594.db2.gz XLEJQNCYCIATFT-HZMBPMFUSA-N 0 3 302.830 4.611 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314489 338026494 /nfs/dbraw/zinc/02/64/94/338026494.db2.gz XOTQXZGDBUQZIK-DNVCBOLYSA-N 0 3 308.400 4.665 20 30 DJEDHN C=CCN(C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000428372383 338049207 /nfs/dbraw/zinc/04/92/07/338049207.db2.gz IMRGNVGWEMTBIS-UHFFFAOYSA-N 0 3 317.864 4.576 20 30 DJEDHN N#CCC1(CNCc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000430070126 338094800 /nfs/dbraw/zinc/09/48/00/338094800.db2.gz WVCCCFXUXTYEDE-UHFFFAOYSA-N 0 3 316.857 4.852 20 30 DJEDHN C[C@@H](NCC1(CC#N)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000430726589 338112445 /nfs/dbraw/zinc/11/24/45/338112445.db2.gz VNXUZMCKEDBABE-CQSZACIVSA-N 0 3 304.393 4.930 20 30 DJEDHN Cc1ccc([C@@H](NCC2(CC#N)CC2)c2ccccc2)c(C)c1 ZINC000430727235 338112600 /nfs/dbraw/zinc/11/26/00/338112600.db2.gz XTJQBUVLAXLRQP-FQEVSTJZSA-N 0 3 304.437 4.676 20 30 DJEDHN N#CCC[C@H](NCCSCc1ccccc1)c1ccccc1 ZINC000430776295 338114624 /nfs/dbraw/zinc/11/46/24/338114624.db2.gz OUKNYARMIYHFHJ-IBGZPJMESA-N 0 3 310.466 4.554 20 30 DJEDHN N#CCCC[C@H](NCC#Cc1ccccc1Cl)c1ccccc1 ZINC000433028990 338177283 /nfs/dbraw/zinc/17/72/83/338177283.db2.gz QTBJJZVDJSOFBO-FQEVSTJZSA-N 0 3 322.839 4.716 20 30 DJEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(F)c(Cl)c1 ZINC000433241980 338187471 /nfs/dbraw/zinc/18/74/71/338187471.db2.gz FOPCRURLOSLEOA-LBPRGKRZSA-N 0 3 302.780 4.544 20 30 DJEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1cc(C#N)cs1 ZINC000435295803 338236696 /nfs/dbraw/zinc/23/66/96/338236696.db2.gz CLGJQZFCEFAZNS-QGZVFWFLSA-N 0 3 302.418 4.588 20 30 DJEDHN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 ZINC000154328480 338241378 /nfs/dbraw/zinc/24/13/78/338241378.db2.gz OWSXKWUFGWZFLQ-ZIAGYGMSSA-N 0 3 310.466 4.910 20 30 DJEDHN Cc1cccc(Oc2ccccc2CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442776129 338430265 /nfs/dbraw/zinc/43/02/65/338430265.db2.gz BLGAOHHARIFZMD-FUHWJXTLSA-N 0 3 306.409 4.569 20 30 DJEDHN CC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000447526750 338553894 /nfs/dbraw/zinc/55/38/94/338553894.db2.gz CJGKERCVUMREMF-KRWDZBQOSA-N 0 3 318.342 4.818 20 30 DJEDHN CC[C@@H](NCc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000447533491 338554815 /nfs/dbraw/zinc/55/48/15/338554815.db2.gz XTGJCLNYZXUZMK-OAQYLSRUSA-N 0 3 300.405 4.952 20 30 DJEDHN CC[C@@H](NCc1ccccc1OCC1CC1)c1ccc(C#N)cc1 ZINC000447538796 338555312 /nfs/dbraw/zinc/55/53/12/338555312.db2.gz DIIYRNJCPFZICN-HXUWFJFHSA-N 0 3 320.436 4.588 20 30 DJEDHN C=CC(C)(C)CN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000453308748 338821968 /nfs/dbraw/zinc/82/19/68/338821968.db2.gz NYTNHXCCIXAQNB-IBGZPJMESA-N 0 3 306.409 4.719 20 30 DJEDHN CC[C@H](CC#N)N[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065295 339071676 /nfs/dbraw/zinc/07/16/76/339071676.db2.gz MBCKJBWKJROXGZ-NHCUHLMSSA-N 0 3 306.453 4.512 20 30 DJEDHN C[C@H](N[C@@H]1c2ccccc2CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000462843340 339093839 /nfs/dbraw/zinc/09/38/39/339093839.db2.gz TVYGEZSKVWURIH-QYWGDWMGSA-N 0 3 304.437 4.923 20 30 DJEDHN COc1cc(CNCc2ccc(C3CCCC3)cc2)ccc1C#N ZINC000462910477 339097466 /nfs/dbraw/zinc/09/74/66/339097466.db2.gz KAQTWRWBUGHPCI-UHFFFAOYSA-N 0 3 320.436 4.514 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236966 339111048 /nfs/dbraw/zinc/11/10/48/339111048.db2.gz KJRCUKKQRSARAR-OGWOLHLISA-N 0 3 300.421 4.729 20 30 DJEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293731 339113832 /nfs/dbraw/zinc/11/38/32/339113832.db2.gz MOTZJKXCNHFICA-MSOLQXFVSA-N 0 3 312.457 4.570 20 30 DJEDHN COc1ccc(-c2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc2)cc1 ZINC000463298599 339114092 /nfs/dbraw/zinc/11/40/92/339114092.db2.gz DOMKWULITBTEHZ-PXNSSMCTSA-N 0 3 320.436 4.534 20 30 DJEDHN C=CCN(CCCC1CCOCC1)Cc1ccc(Cl)s1 ZINC000463301342 339114226 /nfs/dbraw/zinc/11/42/26/339114226.db2.gz PFBCSDCWKAJWQO-UHFFFAOYSA-N 0 3 313.894 4.596 20 30 DJEDHN CC(C)Sc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304698 339114296 /nfs/dbraw/zinc/11/42/96/339114296.db2.gz SDAJSZPSTHCRBU-UXLLHSPISA-N 0 3 302.487 4.920 20 30 DJEDHN C=CCOc1cccc(CN[C@H](C)c2ccc(SC)cc2)c1 ZINC000466416481 339203646 /nfs/dbraw/zinc/20/36/46/339203646.db2.gz RUURWAZHWHUSQH-OAHLLOKOSA-N 0 3 313.466 4.824 20 30 DJEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446323 339239229 /nfs/dbraw/zinc/23/92/29/339239229.db2.gz DLSXRFXPVQTMDL-YPMHNXCESA-N 0 3 309.240 4.654 20 30 DJEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736809 339245216 /nfs/dbraw/zinc/24/52/16/339245216.db2.gz XYCJDPXLPRARTC-MNOVXSKESA-N 0 3 306.397 4.947 20 30 DJEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583832 339348031 /nfs/dbraw/zinc/34/80/31/339348031.db2.gz BWMOQNIWKODGMY-NIKGAXFTSA-N 0 3 310.828 4.711 20 30 DJEDHN COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000474056669 339399593 /nfs/dbraw/zinc/39/95/93/339399593.db2.gz LSIDVFCIERRLFI-JLTOFOAXSA-N 0 3 320.436 4.640 20 30 DJEDHN C=CCCCC[C@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000479391004 339532858 /nfs/dbraw/zinc/53/28/58/339532858.db2.gz MDJJTWBQZMUPMT-QWHCGFSZSA-N 0 3 311.267 4.630 20 30 DJEDHN C=CCCCC[C@@H](C)N[C@H](C)c1ccc(Br)cn1 ZINC000479391002 339532835 /nfs/dbraw/zinc/53/28/35/339532835.db2.gz MDJJTWBQZMUPMT-CHWSQXEVSA-N 0 3 311.267 4.630 20 30 DJEDHN C=C(C)[C@@H](NC[C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417805 339534016 /nfs/dbraw/zinc/53/40/16/339534016.db2.gz GFODBTOPUOSACV-IFXJQAMLSA-N 0 3 323.427 4.624 20 30 DJEDHN C=C(C)[C@@H](N[C@H](C)CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480668315 339582322 /nfs/dbraw/zinc/58/23/22/339582322.db2.gz MJUYIOXWCNZHQZ-QMTHXVAHSA-N 0 3 307.306 4.903 20 30 DJEDHN C=C(C)[C@@H](N[C@@H](C)CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480668312 339582369 /nfs/dbraw/zinc/58/23/69/339582369.db2.gz MJUYIOXWCNZHQZ-IINYFYTJSA-N 0 3 307.306 4.903 20 30 DJEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC1(c2ccc(F)cc2)CC1 ZINC000481995131 339619054 /nfs/dbraw/zinc/61/90/54/339619054.db2.gz UVNNWQCYQFUZQO-HXUWFJFHSA-N 0 3 320.411 4.744 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc2ncsc2c1)c1ccc(C#N)cc1 ZINC000485817789 339713626 /nfs/dbraw/zinc/71/36/26/339713626.db2.gz LFBWDQNVBKNKFA-OLZOCXBDSA-N 0 3 307.422 4.580 20 30 DJEDHN CCOc1ccccc1[C@@H](CC)NCc1ccc(C#N)c(C)c1 ZINC000488127040 339771293 /nfs/dbraw/zinc/77/12/93/339771293.db2.gz OVZKRIHTPHHUOK-LJQANCHMSA-N 0 3 308.425 4.506 20 30 DJEDHN C[C@@H](NC[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000495016798 339970262 /nfs/dbraw/zinc/97/02/62/339970262.db2.gz KJPKXYARHGSBBJ-TZMCWYRMSA-N 0 3 310.363 4.564 20 30 DJEDHN C=CCOc1ccc(CN[C@H](C)c2ccccc2SC)cc1 ZINC000500450962 340059270 /nfs/dbraw/zinc/05/92/70/340059270.db2.gz KRAXETANFLVNRU-OAHLLOKOSA-N 0 3 313.466 4.824 20 30 DJEDHN C[C@@H](c1cccc(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502497760 340106085 /nfs/dbraw/zinc/10/60/85/340106085.db2.gz YSFMHVNNQRSTFC-HNNXBMFYSA-N 0 3 306.384 4.548 20 30 DJEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cccc(C#N)c1 ZINC000507204168 340213167 /nfs/dbraw/zinc/21/31/67/340213167.db2.gz QIQQHQJDTPBMAV-CYBMUJFWSA-N 0 3 318.342 4.770 20 30 DJEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc(F)c(Cl)c1 ZINC000507251590 340215793 /nfs/dbraw/zinc/21/57/93/340215793.db2.gz JDJKZGMLXDFLML-GFCCVEGCSA-N 0 3 302.780 4.544 20 30 DJEDHN CCCN(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000508607699 340248004 /nfs/dbraw/zinc/24/80/04/340248004.db2.gz BWACDZNJLWCCOD-MRXNPFEDSA-N 0 3 308.425 4.540 20 30 DJEDHN C=C(C)CCN(CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000509008160 340258136 /nfs/dbraw/zinc/25/81/36/340258136.db2.gz VZJPJESHHRBMEJ-UHFFFAOYSA-N 0 3 319.836 4.568 20 30 DJEDHN C=CCN(Cc1ccccc1)Cc1cc(C)nc2ccccc12 ZINC000510221572 340293082 /nfs/dbraw/zinc/29/30/82/340293082.db2.gz IMCLWOIBYOHKMG-UHFFFAOYSA-N 0 3 302.421 4.731 20 30 DJEDHN CSc1ccccc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000511202110 340323869 /nfs/dbraw/zinc/32/38/69/340323869.db2.gz XPOVIEMQZAZYDH-UHFFFAOYSA-N 0 3 320.461 4.569 20 30 DJEDHN CCCN(Cc1ccc(C#N)o1)[C@H](C)c1cc2ccccc2o1 ZINC000511764659 340337693 /nfs/dbraw/zinc/33/76/93/340337693.db2.gz HOVXTZUIIHLFPT-CQSZACIVSA-N 0 3 308.381 4.871 20 30 DJEDHN C[C@@H](NC1(Cc2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512290233 340355700 /nfs/dbraw/zinc/35/57/00/340355700.db2.gz XXCYYNSBTGCFRN-OAHLLOKOSA-N 0 3 308.400 4.513 20 30 DJEDHN C=CCOc1ccc(CNCc2cc3c(ccc(C)c3C)[nH]2)cc1 ZINC000512537404 340366054 /nfs/dbraw/zinc/36/60/54/340366054.db2.gz RYESCQMTXKOKOG-UHFFFAOYSA-N 0 3 320.436 4.639 20 30 DJEDHN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000404073809 340376893 /nfs/dbraw/zinc/37/68/93/340376893.db2.gz MOCATDTZYVVSGF-LBPRGKRZSA-N 0 3 302.780 4.544 20 30 DJEDHN CC(C)COc1ccc(C(C)(C)NCc2cccc(C#N)c2)cc1 ZINC000236666742 340663554 /nfs/dbraw/zinc/66/35/54/340663554.db2.gz LBWYEFLPWWDJSZ-UHFFFAOYSA-N 0 3 322.452 4.618 20 30 DJEDHN Cc1ccccc1COc1ccc([C@H](C)NCCCC#N)cc1 ZINC000542499972 341010759 /nfs/dbraw/zinc/01/07/59/341010759.db2.gz HIQIOQAUUUZVPH-KRWDZBQOSA-N 0 3 308.425 4.528 20 30 DJEDHN N#CCc1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000543207690 341036855 /nfs/dbraw/zinc/03/68/55/341036855.db2.gz IAASNVQDXNXWOL-FQEVSTJZSA-N 0 3 308.400 4.619 20 30 DJEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872195 341143751 /nfs/dbraw/zinc/14/37/51/341143751.db2.gz XBHHRJHUHAYABV-PMPSAXMXSA-N 0 3 310.363 4.623 20 30 DJEDHN CCCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755633 341182067 /nfs/dbraw/zinc/18/20/67/341182067.db2.gz XOOGMVGMFNBWAG-MRXNPFEDSA-N 0 3 308.425 4.588 20 30 DJEDHN CC[C@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000546972318 341189349 /nfs/dbraw/zinc/18/93/49/341189349.db2.gz AKIWBNXAQDUSCA-SNVBAGLBSA-N 0 3 317.248 4.665 20 30 DJEDHN C=CCOc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000236696602 341194822 /nfs/dbraw/zinc/19/48/22/341194822.db2.gz RHWPNPWAAHHWST-UHFFFAOYSA-N 0 3 317.379 4.555 20 30 DJEDHN N#Cc1cccc(CN[C@H](c2ccccc2F)C2CCCC2)c1 ZINC000237876182 341222352 /nfs/dbraw/zinc/22/23/52/341222352.db2.gz SCYOZLGXOKOAPP-FQEVSTJZSA-N 0 3 308.400 4.718 20 30 DJEDHN N#Cc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000237876098 341222443 /nfs/dbraw/zinc/22/24/43/341222443.db2.gz QZCIOUSDAVCSGJ-FQEVSTJZSA-N 0 3 308.400 4.718 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000078973427 341251018 /nfs/dbraw/zinc/25/10/18/341251018.db2.gz BYUZEEHXYUNOMJ-QWHCGFSZSA-N 0 3 318.342 4.989 20 30 DJEDHN N#Cc1cc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ccc1F ZINC000549157671 341287564 /nfs/dbraw/zinc/28/75/64/341287564.db2.gz HROBZDWPEQTNBS-FNLKRUPLSA-N 0 3 320.411 4.608 20 30 DJEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170008 341287797 /nfs/dbraw/zinc/28/77/97/341287797.db2.gz FGTCWBVQYQJWIF-XJKSGUPXSA-N 0 3 322.374 4.674 20 30 DJEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535958 341296827 /nfs/dbraw/zinc/29/68/27/341296827.db2.gz MUVUCOLQOPJPNF-JZXOWHBKSA-N 0 3 306.409 4.822 20 30 DJEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927604 341307093 /nfs/dbraw/zinc/30/70/93/341307093.db2.gz BRDDCENVGXIKMV-YQQAZPJKSA-N 0 3 324.399 4.961 20 30 DJEDHN Cc1cc(C)c([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1C ZINC000551564856 341345588 /nfs/dbraw/zinc/34/55/88/341345588.db2.gz QHVJMOOSRZVFCN-KRWDZBQOSA-N 0 3 304.437 4.823 20 30 DJEDHN C=CCC[C@@H](NCCc1nc2c(cccc2C)o1)c1ccco1 ZINC000552045317 341364556 /nfs/dbraw/zinc/36/45/56/341364556.db2.gz CTZDGFCUBXYEMS-OAHLLOKOSA-N 0 3 310.397 4.569 20 30 DJEDHN C=CCC[C@H](NCCc1ccc2ccccc2n1)c1ccco1 ZINC000552045845 341364768 /nfs/dbraw/zinc/36/47/68/341364768.db2.gz QXZHZFUMXAEDBA-IBGZPJMESA-N 0 3 306.409 4.667 20 30 DJEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901999 341389805 /nfs/dbraw/zinc/38/98/05/341389805.db2.gz UNZVAPIYLSENRP-YSGRDPCXSA-N 0 3 308.400 4.587 20 30 DJEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038852 341392525 /nfs/dbraw/zinc/39/25/25/341392525.db2.gz UEPKTYMUKMWSKN-UIAACRFSSA-N 0 3 308.400 4.587 20 30 DJEDHN COc1ccccc1[C@@H](NCc1cccc(C#N)c1)C1CCCC1 ZINC000091283996 341424066 /nfs/dbraw/zinc/42/40/66/341424066.db2.gz AAOWQDCLMMGCLJ-NRFANRHFSA-N 0 3 320.436 4.588 20 30 DJEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1nccc2ccccc21 ZINC000554987932 341471675 /nfs/dbraw/zinc/47/16/75/341471675.db2.gz GXUWHKZOZWYMNY-LSDHHAIUSA-N 0 3 301.393 4.518 20 30 DJEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ccccc1)C1CC1 ZINC000577237142 341899568 /nfs/dbraw/zinc/89/95/68/341899568.db2.gz MOAUWOPSEOWDFD-SFTDATJTSA-N 0 3 302.421 4.677 20 30 DJEDHN N#Cc1csc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000177697257 341924277 /nfs/dbraw/zinc/92/42/77/341924277.db2.gz AJCCQXHSNDGENZ-KRWDZBQOSA-N 0 3 316.857 4.904 20 30 DJEDHN N#Cc1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)cc1F ZINC000516849175 518196492 /nfs/dbraw/zinc/19/64/92/518196492.db2.gz AKPCEHFWDZFINU-SFHVURJKSA-N 0 3 314.791 4.518 20 30 DJEDHN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130430863 525637190 /nfs/dbraw/zinc/63/71/90/525637190.db2.gz JPJGHXMOXGAION-MKBNYLNASA-N 0 3 314.479 4.896 20 30 DJEDHN